USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 SER OG : rot 113:sc= 1.15 USER MOD Set 1.2: A 124 GLN : amide:sc= 0.734 K(o=3.7,f=-1.3!) USER MOD Set 1.3: A 126 THR OG1 : rot 82:sc= 1.83 USER MOD Set 2.1: A 104 GLN : amide:sc= -0.237! C(o=-0.35!,f=-2.8!) USER MOD Set 2.2: A 129 ASN :FLIP amide:sc= -0.113 F(o=-1.8!,f=-0.35) USER MOD Set 3.1: A 86 SER OG : rot 158:sc= -1.32! USER MOD Set 3.2: A 91 GLN : amide:sc= -6.08! C(o=-7.4!,f=-11!) USER MOD Set 4.1: A 59 GLN : amide:sc= -0.391! X(o=-1.5!,f=-1.6) USER MOD Set 4.2: A 65 ASN :FLIP amide:sc= -1.09 X(o=-1.9,f=-1.5) USER MOD Single : A 1 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 121:sc= 0.31 USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0748 F(o=-0.79,f=-0.075) USER MOD Single : A 6 ASN : amide:sc= -0.0195 X(o=-0.019,f=-0.059) USER MOD Single : A 15 SER OG : rot 78:sc= 0.962 USER MOD Single : A 19 GLN : amide:sc= -1.16! C(o=-1.2!,f=-12!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 28 GLN : amide:sc= -1.92 K(o=-1.9,f=-4!) USER MOD Single : A 39 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.8!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= 2.33 (180deg=0.417) USER MOD Single : A 46 GLN : amide:sc= 1.21 K(o=1.2,f=-0.57) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 156:sc= -3.6! (180deg=-4.84!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -109:sc= -0.386 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.1 F(o=-3.9!,f=-1.1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -66:sc= 0.233 USER MOD Single : A 67 THR OG1 : rot 125:sc= 0.133 USER MOD Single : A 68 SER OG : rot 100:sc= 0.619 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -40:sc= -1.97! USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.069 X(o=-0.069,f=-0.072) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00446 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.714 F(o=-2!,f=-0.71) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 109 GLN : amide:sc= -6.9! C(o=-6.9!,f=-8.8!) USER MOD Single : A 113 THR OG1 : rot 165:sc= 1.35 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.014) USER MOD Single : A 120 MET CE :methyl -162:sc= -0.0953 (180deg=-0.566) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -1:sc= 0.0916 USER MOD Single : A 130 LYS NZ :NH3+ -170:sc= -0.66 (180deg=-0.66) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.0514 F(o=-1.4!,f=-0.051) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -126:sc= 1.05 (180deg=-0.364) USER MOD Single : A 136 THR OG1 : rot 154:sc= -0.0995 USER MOD Single : A 138 TYR OH : rot 166:sc= 0.0572 USER MOD Single : A 141 THR OG1 : rot 42:sc= 0.396 USER MOD Single : A 142 LYS NZ :NH3+ -164:sc=-0.00341 (180deg=-0.213) USER MOD Single : A 145 SER OG : rot 180:sc= 0.052 USER MOD Single : A 149 LYS NZ :NH3+ -177:sc= -0.0602 (180deg=-0.0851) USER MOD Single : A 154 SER OG : rot 74:sc= 1.11 USER MOD Single : A 157 LYS NZ :NH3+ -155:sc= 0.328 (180deg=-2.24!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 165 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 169 SER OG : rot 40:sc= 0.481 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 174 GLN : amide:sc= -4.02! C(o=-4!,f=-6.2!) USER MOD Single : A 178 ASN : amide:sc= -3.26! C(o=-3.3!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -27.187 13.983 -7.295 1.00 10.05 N ATOM 2 CA GLN A 1 -27.331 14.858 -6.108 1.00 9.53 C ATOM 3 C GLN A 1 -26.474 14.356 -4.952 1.00 8.72 C ATOM 4 O GLN A 1 -25.459 14.965 -4.606 1.00 8.81 O ATOM 5 CB GLN A 1 -28.797 14.937 -5.676 1.00 9.95 C ATOM 6 CG GLN A 1 -29.031 15.836 -4.471 1.00 10.89 C ATOM 7 CD GLN A 1 -30.474 15.825 -4.012 1.00 11.00 C ATOM 8 OE1 GLN A 1 -31.291 16.628 -4.465 1.00 10.82 O ATOM 9 NE2 GLN A 1 -30.800 14.911 -3.112 1.00 11.52 N ATOM 0 H1 GLN A 1 -27.780 14.346 -8.068 1.00 10.05 H new ATOM 0 H2 GLN A 1 -26.192 13.971 -7.598 1.00 10.05 H new ATOM 0 H3 GLN A 1 -27.487 13.017 -7.053 1.00 10.05 H new ATOM 0 HA GLN A 1 -26.988 15.855 -6.383 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -29.394 15.302 -6.512 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -29.153 13.933 -5.444 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -28.390 15.513 -3.651 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -28.740 16.856 -4.721 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -30.093 14.264 -2.762 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -31.758 14.853 -2.768 1.00 11.52 H new ATOM 20 N ASP A 2 -26.884 13.241 -4.361 1.00 8.19 N ATOM 21 CA ASP A 2 -26.186 12.682 -3.204 1.00 7.64 C ATOM 22 C ASP A 2 -24.993 11.842 -3.640 1.00 6.86 C ATOM 23 O ASP A 2 -24.914 10.646 -3.354 1.00 6.69 O ATOM 24 CB ASP A 2 -27.137 11.839 -2.345 1.00 8.16 C ATOM 25 CG ASP A 2 -28.226 12.665 -1.690 1.00 8.50 C ATOM 26 OD1 ASP A 2 -27.959 13.294 -0.644 1.00 8.87 O ATOM 27 OD2 ASP A 2 -29.353 12.698 -2.220 1.00 8.62 O ATOM 0 H ASP A 2 -27.697 12.703 -4.662 1.00 8.19 H new ATOM 0 HA ASP A 2 -25.822 13.516 -2.604 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -27.595 11.070 -2.967 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -26.563 11.325 -1.573 1.00 8.16 H new ATOM 32 N SER A 3 -24.066 12.481 -4.336 1.00 6.71 N ATOM 33 CA SER A 3 -22.849 11.829 -4.784 1.00 6.26 C ATOM 34 C SER A 3 -21.733 12.079 -3.775 1.00 5.42 C ATOM 35 O SER A 3 -20.555 11.869 -4.060 1.00 5.49 O ATOM 36 CB SER A 3 -22.449 12.383 -6.150 1.00 6.98 C ATOM 37 OG SER A 3 -23.582 12.521 -6.993 1.00 7.51 O ATOM 0 H SER A 3 -24.137 13.462 -4.605 1.00 6.71 H new ATOM 0 HA SER A 3 -23.020 10.756 -4.867 1.00 6.26 H new ATOM 0 HB2 SER A 3 -21.963 13.351 -6.026 1.00 6.98 H new ATOM 0 HB3 SER A 3 -21.722 11.719 -6.617 1.00 6.98 H new ATOM 0 HG SER A 3 -23.302 12.879 -7.861 1.00 7.51 H new ATOM 43 N THR A 4 -22.125 12.523 -2.590 1.00 5.01 N ATOM 44 CA THR A 4 -21.187 12.968 -1.577 1.00 4.56 C ATOM 45 C THR A 4 -20.474 11.816 -0.887 1.00 3.84 C ATOM 46 O THR A 4 -19.352 11.446 -1.245 1.00 4.15 O ATOM 47 CB THR A 4 -21.910 13.836 -0.530 1.00 5.23 C ATOM 48 OG1 THR A 4 -23.154 13.216 -0.164 1.00 5.56 O ATOM 49 CG2 THR A 4 -22.177 15.232 -1.067 1.00 5.56 C ATOM 0 H THR A 4 -23.103 12.584 -2.306 1.00 5.01 H new ATOM 0 HA THR A 4 -20.426 13.557 -2.089 1.00 4.56 H new ATOM 0 HB THR A 4 -21.267 13.922 0.346 1.00 5.23 H new ATOM 0 HG1 THR A 4 -23.159 13.037 0.800 1.00 5.56 H new ATOM 0 HG21 THR A 4 -22.688 15.823 -0.307 1.00 5.56 H new ATOM 0 HG22 THR A 4 -21.232 15.710 -1.323 1.00 5.56 H new ATOM 0 HG23 THR A 4 -22.803 15.166 -1.957 1.00 5.56 H new ATOM 57 N GLN A 5 -21.150 11.242 0.077 1.00 3.36 N ATOM 58 CA GLN A 5 -20.556 10.257 0.974 1.00 3.15 C ATOM 59 C GLN A 5 -20.529 8.862 0.367 1.00 2.17 C ATOM 60 O GLN A 5 -21.089 7.911 0.917 1.00 2.51 O ATOM 61 CB GLN A 5 -21.302 10.242 2.302 1.00 3.99 C ATOM 62 CG GLN A 5 -21.271 11.587 3.011 1.00 4.99 C ATOM 63 CD GLN A 5 -19.864 12.031 3.376 1.00 5.91 C ATOM 64 OE1 GLN A 5 -19.014 11.086 3.748 1.00 6.48 O flip ATOM 65 NE2 GLN A 5 -19.551 13.221 3.355 1.00 6.37 N flip ATOM 0 H GLN A 5 -22.132 11.439 0.270 1.00 3.36 H new ATOM 0 HA GLN A 5 -19.520 10.553 1.141 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -22.338 9.952 2.128 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -20.864 9.484 2.951 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -21.730 12.340 2.370 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -21.875 11.529 3.917 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -20.232 13.922 3.063 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -18.611 13.506 3.630 1.00 6.37 H new ATOM 74 N ASN A 6 -19.876 8.757 -0.774 1.00 1.52 N ATOM 75 CA ASN A 6 -19.606 7.464 -1.400 1.00 0.89 C ATOM 76 C ASN A 6 -18.376 6.846 -0.770 1.00 0.78 C ATOM 77 O ASN A 6 -18.148 5.636 -0.822 1.00 1.00 O ATOM 78 CB ASN A 6 -19.426 7.631 -2.917 1.00 1.52 C ATOM 79 CG ASN A 6 -18.901 6.380 -3.605 1.00 2.32 C ATOM 80 OD1 ASN A 6 -17.691 6.207 -3.772 1.00 2.86 O ATOM 81 ND2 ASN A 6 -19.804 5.505 -4.020 1.00 3.16 N ATOM 0 H ASN A 6 -19.517 9.556 -1.296 1.00 1.52 H new ATOM 0 HA ASN A 6 -20.454 6.798 -1.238 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -20.383 7.906 -3.361 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -18.739 8.456 -3.105 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -19.507 4.653 -4.496 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -20.796 5.683 -3.864 1.00 3.16 H new ATOM 88 N LEU A 7 -17.634 7.708 -0.130 1.00 0.58 N ATOM 89 CA LEU A 7 -16.363 7.358 0.485 1.00 0.51 C ATOM 90 C LEU A 7 -16.578 6.778 1.870 1.00 0.45 C ATOM 91 O LEU A 7 -17.369 7.303 2.659 1.00 0.49 O ATOM 92 CB LEU A 7 -15.452 8.599 0.586 1.00 0.52 C ATOM 93 CG LEU A 7 -15.141 9.297 -0.744 1.00 0.80 C ATOM 94 CD1 LEU A 7 -14.808 8.278 -1.821 1.00 1.73 C ATOM 95 CD2 LEU A 7 -16.296 10.190 -1.174 1.00 1.08 C ATOM 0 H LEU A 7 -17.890 8.689 -0.014 1.00 0.58 H new ATOM 0 HA LEU A 7 -15.882 6.608 -0.144 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -15.922 9.320 1.254 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.511 8.301 1.049 1.00 0.52 H new ATOM 0 HG LEU A 7 -14.267 9.931 -0.598 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -14.591 8.795 -2.756 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -13.937 7.698 -1.516 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -15.657 7.610 -1.965 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -16.050 10.673 -2.120 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -17.196 9.587 -1.298 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -16.471 10.950 -0.413 1.00 1.08 H new ATOM 107 N ILE A 8 -15.889 5.689 2.160 1.00 0.43 N ATOM 108 CA ILE A 8 -15.836 5.183 3.507 1.00 0.40 C ATOM 109 C ILE A 8 -14.826 6.008 4.252 1.00 0.40 C ATOM 110 O ILE A 8 -13.714 6.196 3.776 1.00 0.62 O ATOM 111 CB ILE A 8 -15.428 3.692 3.578 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.481 2.826 2.882 1.00 0.48 C ATOM 113 CG2 ILE A 8 -15.246 3.232 5.032 1.00 0.67 C ATOM 114 CD1 ILE A 8 -16.103 1.362 2.804 1.00 0.47 C ATOM 0 H ILE A 8 -15.362 5.144 1.478 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.833 5.253 3.943 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.472 3.579 3.066 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -17.428 2.921 3.414 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.643 3.206 1.873 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -14.960 2.180 5.048 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -14.466 3.828 5.507 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -16.183 3.361 5.574 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.894 0.808 2.299 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.173 1.256 2.246 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.969 0.967 3.811 1.00 0.47 H new ATOM 126 N PRO A 9 -15.243 6.470 5.433 1.00 0.31 N ATOM 127 CA PRO A 9 -14.516 7.325 6.356 1.00 0.28 C ATOM 128 C PRO A 9 -13.050 7.565 6.018 1.00 0.32 C ATOM 129 O PRO A 9 -12.171 7.071 6.717 1.00 0.38 O ATOM 130 CB PRO A 9 -14.653 6.437 7.575 1.00 0.31 C ATOM 131 CG PRO A 9 -16.057 5.911 7.499 1.00 0.35 C ATOM 132 CD PRO A 9 -16.492 6.077 6.065 1.00 0.35 C ATOM 0 HA PRO A 9 -14.889 8.348 6.408 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.924 5.627 7.560 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.488 6.997 8.495 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -16.097 4.864 7.799 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.715 6.461 8.172 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.892 5.153 5.647 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.265 6.837 5.955 1.00 0.35 H new ATOM 140 N ALA A 10 -12.797 8.349 4.973 1.00 0.36 N ATOM 141 CA ALA A 10 -11.448 8.525 4.459 1.00 0.44 C ATOM 142 C ALA A 10 -10.678 9.579 5.251 1.00 0.42 C ATOM 143 O ALA A 10 -10.937 10.778 5.135 1.00 0.53 O ATOM 144 CB ALA A 10 -11.478 8.865 2.971 1.00 0.62 C ATOM 0 H ALA A 10 -13.512 8.872 4.467 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.919 7.580 4.581 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.459 8.993 2.606 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -11.961 8.056 2.423 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.036 9.789 2.820 1.00 0.62 H new ATOM 150 N PRO A 11 -9.727 9.124 6.079 1.00 0.35 N ATOM 151 CA PRO A 11 -8.884 9.969 6.914 1.00 0.35 C ATOM 152 C PRO A 11 -7.658 10.464 6.157 1.00 0.39 C ATOM 153 O PRO A 11 -7.106 9.750 5.323 1.00 0.45 O ATOM 154 CB PRO A 11 -8.455 9.015 8.055 1.00 0.35 C ATOM 155 CG PRO A 11 -9.103 7.705 7.756 1.00 0.41 C ATOM 156 CD PRO A 11 -9.389 7.725 6.290 1.00 0.38 C ATOM 0 HA PRO A 11 -9.401 10.865 7.256 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.370 8.915 8.094 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.774 9.397 9.025 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.447 6.874 8.016 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -10.019 7.580 8.333 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.526 7.418 5.700 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.210 7.060 6.023 1.00 0.38 H new ATOM 164 N PRO A 12 -7.236 11.706 6.415 1.00 0.42 N ATOM 165 CA PRO A 12 -5.990 12.243 5.874 1.00 0.46 C ATOM 166 C PRO A 12 -4.764 11.545 6.448 1.00 0.44 C ATOM 167 O PRO A 12 -4.864 10.834 7.451 1.00 0.41 O ATOM 168 CB PRO A 12 -5.991 13.714 6.298 1.00 0.50 C ATOM 169 CG PRO A 12 -6.941 13.785 7.445 1.00 0.55 C ATOM 170 CD PRO A 12 -7.960 12.700 7.224 1.00 0.48 C ATOM 0 HA PRO A 12 -5.939 12.101 4.795 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -4.993 14.041 6.591 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -6.311 14.360 5.480 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -6.419 13.640 8.391 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.420 14.763 7.492 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -8.305 12.275 8.167 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.840 13.077 6.703 1.00 0.48 H new ATOM 178 N LEU A 13 -3.623 11.761 5.810 1.00 0.50 N ATOM 179 CA LEU A 13 -2.331 11.239 6.265 1.00 0.51 C ATOM 180 C LEU A 13 -2.184 11.460 7.762 1.00 0.49 C ATOM 181 O LEU A 13 -1.742 10.598 8.506 1.00 0.48 O ATOM 182 CB LEU A 13 -1.234 12.022 5.522 1.00 0.61 C ATOM 183 CG LEU A 13 0.201 11.465 5.557 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.735 11.376 6.976 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.278 10.110 4.869 1.00 0.74 C ATOM 0 H LEU A 13 -3.561 12.309 4.952 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.255 10.171 6.063 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.534 12.107 4.478 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.210 13.032 5.930 1.00 0.61 H new ATOM 0 HG LEU A 13 0.832 12.165 5.010 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.750 10.979 6.959 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.742 12.369 7.425 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.097 10.716 7.564 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.302 9.740 4.908 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.382 9.406 5.376 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.031 10.212 3.829 1.00 0.74 H new ATOM 197 N ILE A 14 -2.615 12.614 8.189 1.00 0.52 N ATOM 198 CA ILE A 14 -2.397 13.080 9.538 1.00 0.56 C ATOM 199 C ILE A 14 -3.164 12.244 10.577 1.00 0.54 C ATOM 200 O ILE A 14 -3.069 12.488 11.778 1.00 0.61 O ATOM 201 CB ILE A 14 -2.820 14.556 9.603 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.348 14.670 9.695 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.310 15.269 8.352 1.00 0.65 C ATOM 204 CD1 ILE A 14 -4.888 16.028 9.306 1.00 1.05 C ATOM 0 H ILE A 14 -3.135 13.269 7.605 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.341 12.972 9.785 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.392 15.021 10.491 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.798 13.914 9.052 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.658 14.446 10.716 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.604 16.318 8.386 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.223 15.198 8.310 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.739 14.801 7.466 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -5.974 16.027 9.397 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.469 16.789 9.965 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.611 16.248 8.275 1.00 1.05 H new ATOM 216 N SER A 15 -3.915 11.252 10.106 1.00 0.46 N ATOM 217 CA SER A 15 -4.653 10.359 10.990 1.00 0.46 C ATOM 218 C SER A 15 -3.832 9.109 11.294 1.00 0.46 C ATOM 219 O SER A 15 -4.167 8.335 12.190 1.00 0.51 O ATOM 220 CB SER A 15 -5.975 9.954 10.338 1.00 0.42 C ATOM 221 OG SER A 15 -6.552 11.056 9.651 1.00 0.92 O ATOM 0 H SER A 15 -4.028 11.047 9.113 1.00 0.46 H new ATOM 0 HA SER A 15 -4.854 10.886 11.923 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.807 9.132 9.642 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.666 9.591 11.099 1.00 0.42 H new ATOM 0 HG SER A 15 -6.094 11.184 8.794 1.00 0.92 H new ATOM 227 N VAL A 16 -2.757 8.923 10.546 1.00 0.43 N ATOM 228 CA VAL A 16 -1.949 7.722 10.663 1.00 0.43 C ATOM 229 C VAL A 16 -0.560 8.046 11.225 1.00 0.45 C ATOM 230 O VAL A 16 0.071 9.026 10.824 1.00 0.50 O ATOM 231 CB VAL A 16 -1.837 6.999 9.294 1.00 0.45 C ATOM 232 CG1 VAL A 16 -1.148 7.859 8.243 1.00 0.54 C ATOM 233 CG2 VAL A 16 -1.109 5.669 9.443 1.00 0.45 C ATOM 0 H VAL A 16 -2.424 9.590 9.850 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.445 7.049 11.363 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.855 6.812 8.951 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -1.093 7.310 7.303 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.716 8.777 8.095 1.00 0.54 H new ATOM 0 HG13 VAL A 16 -0.141 8.106 8.578 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -1.042 5.180 8.471 1.00 0.45 H new ATOM 0 HG22 VAL A 16 -0.105 5.845 9.830 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.658 5.029 10.134 1.00 0.45 H new ATOM 243 N PRO A 17 -0.098 7.243 12.208 1.00 0.46 N ATOM 244 CA PRO A 17 1.228 7.407 12.825 1.00 0.50 C ATOM 245 C PRO A 17 2.372 7.099 11.859 1.00 0.43 C ATOM 246 O PRO A 17 2.157 6.538 10.784 1.00 0.48 O ATOM 247 CB PRO A 17 1.217 6.392 13.973 1.00 0.59 C ATOM 248 CG PRO A 17 0.211 5.372 13.570 1.00 0.53 C ATOM 249 CD PRO A 17 -0.842 6.120 12.806 1.00 0.50 C ATOM 0 HA PRO A 17 1.397 8.436 13.144 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.200 5.943 14.114 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.944 6.865 14.916 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.665 4.596 12.954 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.216 4.877 14.442 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.306 5.494 12.044 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.640 6.470 13.460 1.00 0.50 H new ATOM 257 N LEU A 18 3.584 7.465 12.262 1.00 0.42 N ATOM 258 CA LEU A 18 4.764 7.302 11.421 1.00 0.38 C ATOM 259 C LEU A 18 5.719 6.282 12.033 1.00 0.33 C ATOM 260 O LEU A 18 5.748 6.101 13.253 1.00 0.35 O ATOM 261 CB LEU A 18 5.474 8.653 11.276 1.00 0.46 C ATOM 262 CG LEU A 18 6.013 8.967 9.880 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.367 10.440 9.767 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.222 8.118 9.543 1.00 1.07 C ATOM 0 H LEU A 18 3.775 7.880 13.174 1.00 0.42 H new ATOM 0 HA LEU A 18 4.453 6.942 10.440 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.779 9.442 11.564 1.00 0.46 H new ATOM 0 HB3 LEU A 18 6.303 8.686 11.982 1.00 0.46 H new ATOM 0 HG LEU A 18 5.225 8.730 9.165 1.00 0.63 H new ATOM 0 HD11 LEU A 18 6.749 10.647 8.767 1.00 1.15 H new ATOM 0 HD12 LEU A 18 5.477 11.043 9.947 1.00 1.15 H new ATOM 0 HD13 LEU A 18 7.129 10.689 10.505 1.00 1.15 H new ATOM 0 HD21 LEU A 18 7.576 8.370 8.543 1.00 1.07 H new ATOM 0 HD22 LEU A 18 8.014 8.309 10.267 1.00 1.07 H new ATOM 0 HD23 LEU A 18 6.947 7.064 9.575 1.00 1.07 H new ATOM 276 N GLN A 19 6.499 5.622 11.183 1.00 0.36 N ATOM 277 CA GLN A 19 7.502 4.670 11.650 1.00 0.47 C ATOM 278 C GLN A 19 8.701 5.411 12.243 1.00 0.62 C ATOM 279 O GLN A 19 9.280 6.292 11.603 1.00 0.68 O ATOM 280 CB GLN A 19 7.980 3.714 10.535 1.00 0.49 C ATOM 281 CG GLN A 19 8.611 4.377 9.321 1.00 1.04 C ATOM 282 CD GLN A 19 7.603 4.774 8.258 1.00 2.08 C ATOM 283 OE1 GLN A 19 6.510 5.238 8.552 1.00 2.68 O ATOM 284 NE2 GLN A 19 7.942 4.511 7.012 1.00 2.93 N ATOM 0 H GLN A 19 6.457 5.728 10.169 1.00 0.36 H new ATOM 0 HA GLN A 19 7.025 4.062 12.418 1.00 0.47 H new ATOM 0 HB2 GLN A 19 8.703 3.020 10.963 1.00 0.49 H new ATOM 0 HB3 GLN A 19 7.128 3.122 10.200 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.156 5.264 9.643 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.341 3.696 8.883 1.00 1.04 H new ATOM 0 HE21 GLN A 19 8.863 4.124 6.805 1.00 2.93 H new ATOM 0 HE22 GLN A 19 7.284 4.694 6.255 1.00 2.93 H new ATOM 293 N PRO A 20 9.073 5.072 13.484 1.00 0.92 N ATOM 294 CA PRO A 20 10.198 5.697 14.182 1.00 1.20 C ATOM 295 C PRO A 20 11.549 5.213 13.657 1.00 1.19 C ATOM 296 O PRO A 20 11.703 4.044 13.299 1.00 1.36 O ATOM 297 CB PRO A 20 10.014 5.267 15.648 1.00 1.58 C ATOM 298 CG PRO A 20 8.695 4.564 15.708 1.00 1.65 C ATOM 299 CD PRO A 20 8.422 4.060 14.321 1.00 1.15 C ATOM 0 HA PRO A 20 10.202 6.778 14.042 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.822 4.608 15.966 1.00 1.58 H new ATOM 0 HB3 PRO A 20 10.027 6.131 16.313 1.00 1.58 H new ATOM 0 HG2 PRO A 20 8.725 3.741 16.422 1.00 1.65 H new ATOM 0 HG3 PRO A 20 7.908 5.242 16.037 1.00 1.65 H new ATOM 0 HD2 PRO A 20 8.843 3.068 14.159 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.354 3.990 14.117 1.00 1.15 H new ATOM 307 N GLY A 21 12.518 6.125 13.609 1.00 1.32 N ATOM 308 CA GLY A 21 13.857 5.779 13.168 1.00 1.38 C ATOM 309 C GLY A 21 13.894 5.355 11.715 1.00 1.06 C ATOM 310 O GLY A 21 14.519 4.354 11.367 1.00 1.29 O ATOM 0 H GLY A 21 12.397 7.104 13.870 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.516 6.635 13.311 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.244 4.971 13.789 1.00 1.38 H new ATOM 314 N PHE A 22 13.225 6.114 10.863 1.00 0.69 N ATOM 315 CA PHE A 22 13.134 5.767 9.457 1.00 0.51 C ATOM 316 C PHE A 22 14.284 6.367 8.657 1.00 0.51 C ATOM 317 O PHE A 22 14.664 7.520 8.858 1.00 0.68 O ATOM 318 CB PHE A 22 11.804 6.237 8.871 1.00 0.71 C ATOM 319 CG PHE A 22 11.600 5.786 7.456 1.00 1.19 C ATOM 320 CD1 PHE A 22 11.093 4.530 7.191 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.932 6.608 6.394 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.920 4.097 5.898 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.758 6.183 5.094 1.00 2.66 C ATOM 324 CZ PHE A 22 11.253 4.926 4.846 1.00 2.32 C ATOM 0 H PHE A 22 12.738 6.972 11.121 1.00 0.69 H new ATOM 0 HA PHE A 22 13.196 4.681 9.387 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.988 5.862 9.488 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.759 7.325 8.910 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.829 3.878 8.011 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.332 7.593 6.585 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.524 3.111 5.706 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.017 6.834 4.272 1.00 2.66 H new ATOM 0 HZ PHE A 22 11.118 4.589 3.829 1.00 2.32 H new ATOM 334 N TRP A 23 14.830 5.567 7.755 1.00 0.48 N ATOM 335 CA TRP A 23 15.841 6.027 6.819 1.00 0.57 C ATOM 336 C TRP A 23 15.486 5.509 5.425 1.00 0.50 C ATOM 337 O TRP A 23 14.732 4.543 5.315 1.00 0.51 O ATOM 338 CB TRP A 23 17.228 5.543 7.253 1.00 0.78 C ATOM 339 CG TRP A 23 18.351 6.294 6.611 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.527 7.648 6.603 1.00 2.36 C ATOM 341 CD2 TRP A 23 19.462 5.741 5.898 1.00 2.01 C ATOM 342 NE1 TRP A 23 19.674 7.971 5.925 1.00 3.05 N ATOM 343 CE2 TRP A 23 20.267 6.819 5.483 1.00 2.82 C ATOM 344 CE3 TRP A 23 19.855 4.443 5.568 1.00 2.70 C ATOM 345 CZ2 TRP A 23 21.440 6.635 4.758 1.00 3.70 C ATOM 346 CZ3 TRP A 23 21.021 4.263 4.845 1.00 3.72 C ATOM 347 CH2 TRP A 23 21.801 5.353 4.449 1.00 4.03 C ATOM 0 H TRP A 23 14.585 4.582 7.652 1.00 0.48 H new ATOM 0 HA TRP A 23 15.867 7.117 6.801 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.313 5.634 8.336 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.326 4.484 7.013 1.00 0.78 H new ATOM 0 HD1 TRP A 23 17.860 8.361 7.064 1.00 2.36 H new ATOM 0 HE1 TRP A 23 20.028 8.916 5.774 1.00 3.05 H new ATOM 0 HE3 TRP A 23 19.260 3.594 5.871 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 22.044 7.475 4.450 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 21.334 3.263 4.582 1.00 3.72 H new ATOM 0 HH2 TRP A 23 22.707 5.179 3.888 1.00 4.03 H new ATOM 358 N THR A 24 16.000 6.148 4.377 1.00 0.50 N ATOM 359 CA THR A 24 15.658 5.786 2.998 1.00 0.47 C ATOM 360 C THR A 24 15.817 4.284 2.738 1.00 0.46 C ATOM 361 O THR A 24 14.900 3.632 2.232 1.00 0.48 O ATOM 362 CB THR A 24 16.530 6.577 2.009 1.00 0.50 C ATOM 363 OG1 THR A 24 17.620 7.187 2.715 1.00 0.58 O ATOM 364 CG2 THR A 24 15.711 7.643 1.302 1.00 0.53 C ATOM 0 H THR A 24 16.658 6.923 4.454 1.00 0.50 H new ATOM 0 HA THR A 24 14.608 6.040 2.850 1.00 0.47 H new ATOM 0 HB THR A 24 16.919 5.890 1.258 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.177 7.690 2.085 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.348 8.190 0.607 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.896 7.171 0.753 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.300 8.334 2.038 1.00 0.53 H new ATOM 372 N GLU A 25 16.963 3.735 3.131 1.00 0.53 N ATOM 373 CA GLU A 25 17.271 2.334 2.861 1.00 0.60 C ATOM 374 C GLU A 25 16.405 1.398 3.710 1.00 0.60 C ATOM 375 O GLU A 25 16.229 0.227 3.377 1.00 0.63 O ATOM 376 CB GLU A 25 18.752 2.059 3.134 1.00 0.71 C ATOM 377 CG GLU A 25 19.206 0.670 2.710 1.00 1.31 C ATOM 378 CD GLU A 25 20.562 0.302 3.270 1.00 1.63 C ATOM 379 OE1 GLU A 25 21.584 0.807 2.765 1.00 1.94 O ATOM 380 OE2 GLU A 25 20.613 -0.508 4.220 1.00 1.88 O ATOM 0 H GLU A 25 17.692 4.238 3.637 1.00 0.53 H new ATOM 0 HA GLU A 25 17.052 2.140 1.811 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.353 2.803 2.611 1.00 0.71 H new ATOM 0 HB3 GLU A 25 18.945 2.185 4.199 1.00 0.71 H new ATOM 0 HG2 GLU A 25 18.470 -0.064 3.039 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.241 0.620 1.622 1.00 1.31 H new ATOM 387 N ARG A 26 15.841 1.933 4.790 1.00 0.64 N ATOM 388 CA ARG A 26 15.074 1.133 5.746 1.00 0.76 C ATOM 389 C ARG A 26 13.731 0.693 5.174 1.00 0.71 C ATOM 390 O ARG A 26 12.994 -0.054 5.816 1.00 0.87 O ATOM 391 CB ARG A 26 14.852 1.921 7.039 1.00 0.96 C ATOM 392 CG ARG A 26 16.080 1.996 7.929 1.00 1.62 C ATOM 393 CD ARG A 26 16.365 0.654 8.586 1.00 2.07 C ATOM 394 NE ARG A 26 17.521 0.712 9.476 1.00 2.61 N ATOM 395 CZ ARG A 26 17.473 1.138 10.737 1.00 3.42 C ATOM 396 NH1 ARG A 26 16.324 1.535 11.271 1.00 3.88 N ATOM 397 NH2 ARG A 26 18.574 1.149 11.474 1.00 4.18 N ATOM 0 H ARG A 26 15.901 2.923 5.027 1.00 0.64 H new ATOM 0 HA ARG A 26 15.656 0.236 5.959 1.00 0.76 H new ATOM 0 HB2 ARG A 26 14.535 2.933 6.787 1.00 0.96 H new ATOM 0 HB3 ARG A 26 14.037 1.462 7.598 1.00 0.96 H new ATOM 0 HG2 ARG A 26 16.942 2.305 7.338 1.00 1.62 H new ATOM 0 HG3 ARG A 26 15.930 2.755 8.697 1.00 1.62 H new ATOM 0 HD2 ARG A 26 15.489 0.334 9.151 1.00 2.07 H new ATOM 0 HD3 ARG A 26 16.539 -0.097 7.815 1.00 2.07 H new ATOM 0 HE ARG A 26 18.422 0.407 9.109 1.00 2.61 H new ATOM 0 HH11 ARG A 26 15.469 1.515 10.715 1.00 3.88 H new ATOM 0 HH12 ARG A 26 16.296 1.860 12.238 1.00 3.88 H new ATOM 0 HH21 ARG A 26 19.458 0.831 11.076 1.00 4.18 H new ATOM 0 HH22 ARG A 26 18.538 1.475 12.440 1.00 4.18 H new ATOM 411 N PHE A 27 13.409 1.162 3.978 1.00 0.59 N ATOM 412 CA PHE A 27 12.177 0.762 3.319 1.00 0.61 C ATOM 413 C PHE A 27 12.482 0.301 1.896 1.00 0.51 C ATOM 414 O PHE A 27 11.619 0.323 1.018 1.00 0.72 O ATOM 415 CB PHE A 27 11.181 1.926 3.310 1.00 0.71 C ATOM 416 CG PHE A 27 9.745 1.507 3.472 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.013 1.062 2.386 1.00 1.74 C ATOM 418 CD2 PHE A 27 9.125 1.559 4.713 1.00 0.95 C ATOM 419 CE1 PHE A 27 7.697 0.677 2.529 1.00 2.21 C ATOM 420 CE2 PHE A 27 7.809 1.175 4.859 1.00 1.39 C ATOM 421 CZ PHE A 27 7.094 0.734 3.766 1.00 2.03 C ATOM 0 H PHE A 27 13.982 1.817 3.446 1.00 0.59 H new ATOM 0 HA PHE A 27 11.728 -0.067 3.867 1.00 0.61 H new ATOM 0 HB2 PHE A 27 11.439 2.617 4.112 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.285 2.472 2.373 1.00 0.71 H new ATOM 0 HD1 PHE A 27 9.479 1.016 1.413 1.00 1.74 H new ATOM 0 HD2 PHE A 27 9.679 1.904 5.573 1.00 0.95 H new ATOM 0 HE1 PHE A 27 7.139 0.331 1.671 1.00 2.21 H new ATOM 0 HE2 PHE A 27 7.338 1.220 5.830 1.00 1.39 H new ATOM 0 HZ PHE A 27 6.063 0.434 3.879 1.00 2.03 H new ATOM 431 N GLN A 28 13.718 -0.122 1.675 1.00 0.40 N ATOM 432 CA GLN A 28 14.141 -0.579 0.360 1.00 0.31 C ATOM 433 C GLN A 28 14.115 -2.096 0.291 1.00 0.30 C ATOM 434 O GLN A 28 14.313 -2.781 1.296 1.00 0.37 O ATOM 435 CB GLN A 28 15.549 -0.065 0.035 1.00 0.28 C ATOM 436 CG GLN A 28 16.078 -0.526 -1.316 1.00 0.45 C ATOM 437 CD GLN A 28 17.521 -0.138 -1.570 1.00 0.77 C ATOM 438 OE1 GLN A 28 17.914 0.109 -2.710 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.324 -0.096 -0.520 1.00 1.23 N ATOM 0 H GLN A 28 14.445 -0.158 2.389 1.00 0.40 H new ATOM 0 HA GLN A 28 13.445 -0.180 -0.378 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.542 1.025 0.059 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.235 -0.396 0.815 1.00 0.28 H new ATOM 0 HG2 GLN A 28 15.986 -1.610 -1.382 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.454 -0.105 -2.104 1.00 0.45 H new ATOM 0 HE21 GLN A 28 17.960 -0.307 0.409 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.307 0.148 -0.639 1.00 1.23 H new ATOM 448 N GLY A 29 13.864 -2.610 -0.900 1.00 0.29 N ATOM 449 CA GLY A 29 13.897 -4.040 -1.113 1.00 0.32 C ATOM 450 C GLY A 29 12.575 -4.616 -1.561 1.00 0.30 C ATOM 451 O GLY A 29 11.703 -3.898 -2.056 1.00 0.28 O ATOM 0 H GLY A 29 13.637 -2.060 -1.728 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.656 -4.270 -1.861 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.202 -4.530 -0.188 1.00 0.32 H new ATOM 455 N ARG A 30 12.435 -5.922 -1.385 1.00 0.35 N ATOM 456 CA ARG A 30 11.272 -6.649 -1.868 1.00 0.36 C ATOM 457 C ARG A 30 10.151 -6.633 -0.844 1.00 0.39 C ATOM 458 O ARG A 30 10.230 -7.303 0.183 1.00 0.51 O ATOM 459 CB ARG A 30 11.636 -8.102 -2.198 1.00 0.46 C ATOM 460 CG ARG A 30 12.417 -8.272 -3.493 1.00 0.51 C ATOM 461 CD ARG A 30 13.844 -7.755 -3.379 1.00 0.66 C ATOM 462 NE ARG A 30 14.598 -7.967 -4.613 1.00 1.20 N ATOM 463 CZ ARG A 30 15.641 -7.227 -4.993 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.092 -6.243 -4.220 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.249 -7.486 -6.140 1.00 2.57 N ATOM 0 H ARG A 30 13.121 -6.504 -0.906 1.00 0.35 H new ATOM 0 HA ARG A 30 10.930 -6.149 -2.774 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.223 -8.513 -1.377 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.720 -8.689 -2.260 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.436 -9.327 -3.768 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.904 -7.743 -4.296 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.827 -6.691 -3.141 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.348 -8.258 -2.554 1.00 0.66 H new ATOM 0 HE ARG A 30 14.308 -8.731 -5.224 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.640 -6.048 -3.327 1.00 1.65 H new ATOM 0 HH12 ARG A 30 16.890 -5.683 -4.520 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.920 -8.250 -6.731 1.00 2.57 H new ATOM 0 HH22 ARG A 30 17.047 -6.922 -6.433 1.00 2.57 H new ATOM 479 N TRP A 31 9.114 -5.869 -1.123 1.00 0.34 N ATOM 480 CA TRP A 31 7.949 -5.839 -0.258 1.00 0.42 C ATOM 481 C TRP A 31 6.858 -6.746 -0.804 1.00 0.34 C ATOM 482 O TRP A 31 6.264 -6.468 -1.851 1.00 0.34 O ATOM 483 CB TRP A 31 7.430 -4.412 -0.094 1.00 0.55 C ATOM 484 CG TRP A 31 8.385 -3.526 0.645 1.00 0.85 C ATOM 485 CD1 TRP A 31 9.161 -2.535 0.119 1.00 1.94 C ATOM 486 CD2 TRP A 31 8.673 -3.561 2.047 1.00 0.74 C ATOM 487 NE1 TRP A 31 9.906 -1.945 1.110 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.626 -2.558 2.302 1.00 0.91 C ATOM 489 CE3 TRP A 31 8.213 -4.341 3.114 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.128 -2.317 3.578 1.00 0.90 C ATOM 491 CZ3 TRP A 31 8.713 -4.101 4.378 1.00 2.36 C ATOM 492 CH2 TRP A 31 9.661 -3.093 4.601 1.00 1.70 C ATOM 0 H TRP A 31 9.053 -5.261 -1.940 1.00 0.34 H new ATOM 0 HA TRP A 31 8.244 -6.207 0.725 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.235 -3.986 -1.078 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.479 -4.436 0.437 1.00 0.55 H new ATOM 0 HD1 TRP A 31 9.186 -2.256 -0.924 1.00 1.94 H new ATOM 0 HE1 TRP A 31 10.562 -1.175 0.979 1.00 1.91 H new ATOM 0 HE3 TRP A 31 7.480 -5.117 2.951 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 10.861 -1.544 3.753 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 8.368 -4.699 5.208 1.00 2.36 H new ATOM 0 HH2 TRP A 31 10.030 -2.926 5.602 1.00 1.70 H new ATOM 503 N PHE A 32 6.624 -7.843 -0.103 1.00 0.31 N ATOM 504 CA PHE A 32 5.579 -8.783 -0.469 1.00 0.30 C ATOM 505 C PHE A 32 4.279 -8.431 0.228 1.00 0.29 C ATOM 506 O PHE A 32 4.251 -8.227 1.443 1.00 0.33 O ATOM 507 CB PHE A 32 5.994 -10.211 -0.112 1.00 0.38 C ATOM 508 CG PHE A 32 6.919 -10.835 -1.114 1.00 0.63 C ATOM 509 CD1 PHE A 32 8.292 -10.673 -1.018 1.00 1.10 C ATOM 510 CD2 PHE A 32 6.407 -11.584 -2.158 1.00 0.68 C ATOM 511 CE1 PHE A 32 9.136 -11.250 -1.947 1.00 1.62 C ATOM 512 CE2 PHE A 32 7.245 -12.162 -3.091 1.00 1.17 C ATOM 513 CZ PHE A 32 8.611 -11.995 -2.987 1.00 1.64 C ATOM 0 H PHE A 32 7.150 -8.106 0.731 1.00 0.31 H new ATOM 0 HA PHE A 32 5.427 -8.721 -1.547 1.00 0.30 H new ATOM 0 HB2 PHE A 32 6.479 -10.206 0.864 1.00 0.38 H new ATOM 0 HB3 PHE A 32 5.100 -10.828 -0.021 1.00 0.38 H new ATOM 0 HD1 PHE A 32 8.706 -10.090 -0.209 1.00 1.10 H new ATOM 0 HD2 PHE A 32 5.339 -11.718 -2.245 1.00 0.68 H new ATOM 0 HE1 PHE A 32 10.205 -11.119 -1.861 1.00 1.62 H new ATOM 0 HE2 PHE A 32 6.832 -12.744 -3.901 1.00 1.17 H new ATOM 0 HZ PHE A 32 9.268 -12.445 -3.716 1.00 1.64 H new ATOM 523 N VAL A 33 3.207 -8.342 -0.541 1.00 0.28 N ATOM 524 CA VAL A 33 1.900 -8.031 0.022 1.00 0.30 C ATOM 525 C VAL A 33 1.298 -9.259 0.686 1.00 0.31 C ATOM 526 O VAL A 33 1.067 -10.275 0.037 1.00 0.52 O ATOM 527 CB VAL A 33 0.906 -7.525 -1.036 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.196 -6.710 -0.382 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.610 -6.727 -2.112 1.00 0.74 C ATOM 0 H VAL A 33 3.213 -8.479 -1.552 1.00 0.28 H new ATOM 0 HA VAL A 33 2.066 -7.239 0.752 1.00 0.30 H new ATOM 0 HB VAL A 33 0.451 -8.391 -1.517 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -0.891 -6.359 -1.145 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -0.730 -7.331 0.337 1.00 0.74 H new ATOM 0 HG13 VAL A 33 0.241 -5.854 0.132 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.881 -6.383 -2.846 1.00 0.74 H new ATOM 0 HG22 VAL A 33 2.105 -5.867 -1.662 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.351 -7.356 -2.605 1.00 0.74 H new ATOM 539 N VAL A 34 1.044 -9.163 1.979 1.00 0.20 N ATOM 540 CA VAL A 34 0.453 -10.265 2.719 1.00 0.25 C ATOM 541 C VAL A 34 -0.946 -9.873 3.227 1.00 0.28 C ATOM 542 O VAL A 34 -1.620 -10.642 3.914 1.00 0.47 O ATOM 543 CB VAL A 34 1.368 -10.698 3.893 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.880 -11.987 4.540 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.800 -10.867 3.406 1.00 0.29 C ATOM 0 H VAL A 34 1.238 -8.333 2.539 1.00 0.20 H new ATOM 0 HA VAL A 34 0.351 -11.117 2.047 1.00 0.25 H new ATOM 0 HB VAL A 34 1.333 -9.913 4.648 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.547 -12.258 5.358 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.129 -11.841 4.927 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.872 -12.786 3.799 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.434 -11.171 4.239 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.832 -11.630 2.628 1.00 0.29 H new ATOM 0 HG23 VAL A 34 3.161 -9.921 3.002 1.00 0.29 H new ATOM 555 N GLY A 35 -1.390 -8.671 2.873 1.00 0.19 N ATOM 556 CA GLY A 35 -2.755 -8.273 3.186 1.00 0.19 C ATOM 557 C GLY A 35 -3.122 -6.925 2.598 1.00 0.17 C ATOM 558 O GLY A 35 -2.241 -6.162 2.194 1.00 0.18 O ATOM 0 H GLY A 35 -0.837 -7.970 2.380 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.445 -9.029 2.810 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -2.880 -8.239 4.268 1.00 0.19 H new ATOM 562 N LEU A 36 -4.422 -6.626 2.555 1.00 0.17 N ATOM 563 CA LEU A 36 -4.900 -5.361 2.010 1.00 0.18 C ATOM 564 C LEU A 36 -6.297 -5.038 2.537 1.00 0.16 C ATOM 565 O LEU A 36 -7.178 -5.887 2.534 1.00 0.18 O ATOM 566 CB LEU A 36 -4.932 -5.421 0.486 1.00 0.20 C ATOM 567 CG LEU A 36 -4.949 -4.057 -0.196 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.583 -3.396 -0.091 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.388 -4.184 -1.641 1.00 0.30 C ATOM 0 H LEU A 36 -5.160 -7.245 2.892 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.214 -4.575 2.326 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.062 -5.977 0.138 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.814 -5.981 0.175 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.673 -3.422 0.315 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.611 -2.423 -0.582 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.322 -3.265 0.959 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -2.836 -4.026 -0.575 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.393 -3.199 -2.108 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.697 -4.835 -2.175 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.391 -4.609 -1.681 1.00 0.30 H new ATOM 581 N ALA A 37 -6.507 -3.803 2.959 1.00 0.17 N ATOM 582 CA ALA A 37 -7.769 -3.418 3.596 1.00 0.18 C ATOM 583 C ALA A 37 -8.131 -1.988 3.262 1.00 0.24 C ATOM 584 O ALA A 37 -7.319 -1.100 3.440 1.00 0.43 O ATOM 585 CB ALA A 37 -7.646 -3.563 5.099 1.00 0.25 C ATOM 0 H ALA A 37 -5.827 -3.047 2.876 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.554 -4.074 3.220 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.586 -3.276 5.570 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.417 -4.599 5.347 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.846 -2.918 5.463 1.00 0.25 H new ATOM 591 N GLY A 38 -9.338 -1.750 2.785 1.00 0.22 N ATOM 592 CA GLY A 38 -9.700 -0.402 2.424 1.00 0.26 C ATOM 593 C GLY A 38 -10.893 -0.313 1.518 1.00 0.25 C ATOM 594 O GLY A 38 -11.254 -1.272 0.850 1.00 0.26 O ATOM 0 H GLY A 38 -10.063 -2.453 2.643 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.904 0.164 3.333 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.849 0.073 1.936 1.00 0.26 H new ATOM 598 N ASN A 39 -11.501 0.860 1.485 1.00 0.26 N ATOM 599 CA ASN A 39 -12.670 1.088 0.655 1.00 0.27 C ATOM 600 C ASN A 39 -12.258 1.073 -0.818 1.00 0.32 C ATOM 601 O ASN A 39 -13.030 0.694 -1.695 1.00 0.40 O ATOM 602 CB ASN A 39 -13.341 2.413 1.050 1.00 0.31 C ATOM 603 CG ASN A 39 -14.416 2.890 0.080 1.00 1.08 C ATOM 604 OD1 ASN A 39 -14.581 4.093 -0.119 1.00 1.94 O ATOM 605 ND2 ASN A 39 -15.176 1.970 -0.497 1.00 1.73 N ATOM 0 H ASN A 39 -11.203 1.672 2.026 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.400 0.293 0.809 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.786 2.300 2.039 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.575 3.184 1.131 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.926 2.251 -1.129 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -15.011 0.981 -0.309 1.00 1.73 H new ATOM 612 N ALA A 40 -11.009 1.452 -1.071 1.00 0.34 N ATOM 613 CA ALA A 40 -10.448 1.410 -2.415 1.00 0.41 C ATOM 614 C ALA A 40 -9.863 0.028 -2.711 1.00 0.39 C ATOM 615 O ALA A 40 -9.330 -0.219 -3.795 1.00 0.45 O ATOM 616 CB ALA A 40 -9.393 2.490 -2.575 1.00 0.46 C ATOM 0 H ALA A 40 -10.364 1.793 -0.358 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.246 1.598 -3.134 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -8.981 2.449 -3.583 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -9.845 3.468 -2.407 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.595 2.330 -1.850 1.00 0.46 H new ATOM 622 N VAL A 41 -9.948 -0.854 -1.721 1.00 0.34 N ATOM 623 CA VAL A 41 -9.596 -2.260 -1.899 1.00 0.33 C ATOM 624 C VAL A 41 -10.654 -2.952 -2.734 1.00 0.42 C ATOM 625 O VAL A 41 -11.843 -2.910 -2.406 1.00 0.46 O ATOM 626 CB VAL A 41 -9.441 -2.994 -0.538 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.543 -4.523 -0.676 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.118 -2.602 0.093 1.00 0.30 C ATOM 0 H VAL A 41 -10.260 -0.618 -0.779 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.634 -2.299 -2.410 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.266 -2.686 0.104 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.428 -4.985 0.304 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.516 -4.787 -1.089 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -8.757 -4.882 -1.341 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.005 -3.114 1.048 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.301 -2.885 -0.570 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.097 -1.524 0.255 1.00 0.30 H new ATOM 638 N GLN A 42 -10.227 -3.566 -3.825 1.00 0.55 N ATOM 639 CA GLN A 42 -11.140 -4.318 -4.662 1.00 0.69 C ATOM 640 C GLN A 42 -11.516 -5.618 -3.965 1.00 0.60 C ATOM 641 O GLN A 42 -10.992 -6.688 -4.280 1.00 0.70 O ATOM 642 CB GLN A 42 -10.507 -4.613 -6.024 1.00 0.93 C ATOM 643 CG GLN A 42 -9.959 -3.379 -6.724 1.00 1.49 C ATOM 644 CD GLN A 42 -9.460 -3.682 -8.122 1.00 1.84 C ATOM 645 OE1 GLN A 42 -8.296 -4.035 -8.320 1.00 2.44 O ATOM 646 NE2 GLN A 42 -10.338 -3.532 -9.100 1.00 2.35 N ATOM 0 H GLN A 42 -9.260 -3.558 -4.148 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.038 -3.723 -4.826 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.700 -5.333 -5.891 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -11.251 -5.084 -6.666 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -10.738 -2.618 -6.776 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -9.144 -2.961 -6.133 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -11.292 -3.238 -8.889 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -10.061 -3.711 -10.065 1.00 2.35 H new ATOM 655 N LYS A 43 -12.418 -5.517 -3.004 1.00 0.50 N ATOM 656 CA LYS A 43 -12.890 -6.680 -2.297 1.00 0.48 C ATOM 657 C LYS A 43 -14.220 -7.135 -2.873 1.00 0.59 C ATOM 658 O LYS A 43 -15.221 -6.425 -2.777 1.00 0.69 O ATOM 659 CB LYS A 43 -13.055 -6.419 -0.801 1.00 0.43 C ATOM 660 CG LYS A 43 -13.554 -7.675 -0.112 1.00 0.57 C ATOM 661 CD LYS A 43 -13.388 -7.658 1.387 1.00 0.55 C ATOM 662 CE LYS A 43 -13.043 -9.054 1.861 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.106 -9.208 3.337 1.00 0.97 N ATOM 0 H LYS A 43 -12.835 -4.637 -2.700 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.138 -7.459 -2.423 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.103 -6.110 -0.369 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -13.758 -5.601 -0.641 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -14.609 -7.813 -0.349 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.021 -8.536 -0.517 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -12.601 -6.959 1.671 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -14.306 -7.315 1.864 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -13.727 -9.766 1.399 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.040 -9.308 1.519 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -13.432 -10.167 3.572 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -12.161 -9.054 3.743 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -13.769 -8.511 3.731 1.00 0.97 H new ATOM 677 N GLU A 44 -14.215 -8.309 -3.493 1.00 0.68 N ATOM 678 CA GLU A 44 -15.444 -8.924 -3.973 1.00 0.80 C ATOM 679 C GLU A 44 -16.383 -9.207 -2.809 1.00 0.76 C ATOM 680 O GLU A 44 -17.516 -8.734 -2.784 1.00 0.88 O ATOM 681 CB GLU A 44 -15.137 -10.208 -4.754 1.00 0.94 C ATOM 682 CG GLU A 44 -14.143 -11.140 -4.078 1.00 0.95 C ATOM 683 CD GLU A 44 -13.883 -12.391 -4.892 1.00 1.59 C ATOM 684 OE1 GLU A 44 -14.719 -13.316 -4.848 1.00 2.00 O ATOM 685 OE2 GLU A 44 -12.852 -12.449 -5.595 1.00 2.22 O ATOM 0 H GLU A 44 -13.372 -8.854 -3.675 1.00 0.68 H new ATOM 0 HA GLU A 44 -15.939 -8.229 -4.651 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.069 -10.749 -4.917 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -14.750 -9.936 -5.736 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -13.203 -10.611 -3.918 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -14.522 -11.421 -3.095 1.00 0.95 H new ATOM 692 N ARG A 45 -15.876 -9.955 -1.844 1.00 0.70 N ATOM 693 CA ARG A 45 -16.603 -10.278 -0.627 1.00 0.79 C ATOM 694 C ARG A 45 -15.716 -11.140 0.249 1.00 0.79 C ATOM 695 O ARG A 45 -15.587 -10.909 1.451 1.00 0.90 O ATOM 696 CB ARG A 45 -17.913 -11.021 -0.929 1.00 0.94 C ATOM 697 CG ARG A 45 -18.756 -11.297 0.306 1.00 1.54 C ATOM 698 CD ARG A 45 -20.022 -12.066 -0.041 1.00 1.86 C ATOM 699 NE ARG A 45 -19.728 -13.380 -0.607 1.00 2.25 N ATOM 700 CZ ARG A 45 -20.647 -14.206 -1.105 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.936 -13.893 -1.045 1.00 3.09 N ATOM 702 NH2 ARG A 45 -20.267 -15.358 -1.636 1.00 3.78 N ATOM 0 H ARG A 45 -14.940 -10.359 -1.883 1.00 0.70 H new ATOM 0 HA ARG A 45 -16.863 -9.350 -0.118 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.500 -10.433 -1.635 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -17.680 -11.967 -1.418 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -18.170 -11.866 1.028 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -19.022 -10.354 0.784 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -20.630 -12.186 0.855 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.613 -11.489 -0.752 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.755 -13.685 -0.622 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -22.228 -13.015 -0.616 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -22.634 -14.530 -1.428 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -19.278 -15.606 -1.661 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -20.963 -15.997 -2.020 1.00 3.78 H new ATOM 716 N GLN A 46 -15.073 -12.113 -0.382 1.00 0.80 N ATOM 717 CA GLN A 46 -14.217 -13.051 0.338 1.00 0.94 C ATOM 718 C GLN A 46 -12.775 -12.532 0.428 1.00 0.86 C ATOM 719 O GLN A 46 -12.404 -11.881 1.403 1.00 0.94 O ATOM 720 CB GLN A 46 -14.271 -14.443 -0.316 1.00 1.13 C ATOM 721 CG GLN A 46 -14.025 -14.434 -1.822 1.00 1.36 C ATOM 722 CD GLN A 46 -14.095 -15.810 -2.451 1.00 1.85 C ATOM 723 OE1 GLN A 46 -13.830 -16.819 -1.803 1.00 2.42 O ATOM 724 NE2 GLN A 46 -14.434 -15.856 -3.729 1.00 2.45 N ATOM 0 H GLN A 46 -15.126 -12.275 -1.388 1.00 0.80 H new ATOM 0 HA GLN A 46 -14.594 -13.141 1.357 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -13.529 -15.085 0.159 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -15.247 -14.887 -0.121 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.761 -13.787 -2.299 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -13.044 -14.002 -2.020 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -14.647 -14.994 -4.232 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -14.483 -16.753 -4.212 1.00 2.45 H new ATOM 733 N SER A 47 -11.993 -12.793 -0.608 1.00 0.79 N ATOM 734 CA SER A 47 -10.604 -12.371 -0.688 1.00 0.80 C ATOM 735 C SER A 47 -10.212 -12.246 -2.149 1.00 0.82 C ATOM 736 O SER A 47 -9.756 -13.206 -2.769 1.00 0.93 O ATOM 737 CB SER A 47 -9.677 -13.379 0.005 1.00 0.93 C ATOM 738 OG SER A 47 -9.987 -13.525 1.382 1.00 1.58 O ATOM 0 H SER A 47 -12.310 -13.311 -1.428 1.00 0.79 H new ATOM 0 HA SER A 47 -10.501 -11.411 -0.182 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.759 -14.347 -0.490 1.00 0.93 H new ATOM 0 HB3 SER A 47 -8.642 -13.053 -0.101 1.00 0.93 H new ATOM 0 HG SER A 47 -9.377 -14.176 1.788 1.00 1.58 H new ATOM 744 N ARG A 48 -10.452 -11.080 -2.714 1.00 0.81 N ATOM 745 CA ARG A 48 -9.961 -10.777 -4.022 1.00 0.90 C ATOM 746 C ARG A 48 -8.588 -10.159 -3.834 1.00 0.92 C ATOM 747 O ARG A 48 -7.957 -10.390 -2.801 1.00 1.64 O ATOM 748 CB ARG A 48 -10.944 -9.844 -4.742 1.00 0.95 C ATOM 749 CG ARG A 48 -10.646 -9.630 -6.219 1.00 1.22 C ATOM 750 CD ARG A 48 -11.897 -9.255 -6.986 1.00 1.72 C ATOM 751 NE ARG A 48 -12.617 -10.440 -7.453 1.00 2.25 N ATOM 752 CZ ARG A 48 -13.185 -10.534 -8.655 1.00 2.93 C ATOM 753 NH1 ARG A 48 -13.212 -9.481 -9.462 1.00 3.36 N ATOM 754 NH2 ARG A 48 -13.752 -11.674 -9.038 1.00 3.61 N ATOM 0 H ARG A 48 -10.988 -10.330 -2.277 1.00 0.81 H new ATOM 0 HA ARG A 48 -9.874 -11.663 -4.651 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -11.950 -10.251 -4.643 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -10.941 -8.877 -4.240 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -9.899 -8.844 -6.331 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -10.217 -10.539 -6.641 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -12.550 -8.659 -6.349 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.629 -8.632 -7.839 1.00 1.72 H new ATOM 0 HE ARG A 48 -12.688 -11.239 -6.823 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -12.798 -8.598 -9.163 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -13.647 -9.554 -10.382 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -13.753 -12.479 -8.411 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -14.186 -11.744 -9.958 1.00 3.61 H new ATOM 768 N PHE A 49 -8.146 -9.365 -4.785 1.00 0.49 N ATOM 769 CA PHE A 49 -6.773 -8.884 -4.802 1.00 0.42 C ATOM 770 C PHE A 49 -5.829 -10.088 -4.953 1.00 0.59 C ATOM 771 O PHE A 49 -6.274 -11.232 -4.998 1.00 1.46 O ATOM 772 CB PHE A 49 -6.490 -8.068 -3.521 1.00 0.35 C ATOM 773 CG PHE A 49 -5.092 -7.544 -3.375 1.00 0.32 C ATOM 774 CD1 PHE A 49 -4.520 -6.741 -4.351 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.348 -7.864 -2.251 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.230 -6.268 -4.206 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.059 -7.393 -2.102 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.499 -6.596 -3.081 1.00 0.37 C ATOM 0 H PHE A 49 -8.718 -9.035 -5.563 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.606 -8.217 -5.648 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.179 -7.224 -3.491 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -6.715 -8.694 -2.657 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.088 -6.483 -5.232 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -4.781 -8.488 -1.483 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -2.794 -5.643 -4.971 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.489 -7.648 -1.221 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.490 -6.229 -2.967 1.00 0.37 H new ATOM 788 N THR A 50 -4.548 -9.826 -5.080 1.00 0.46 N ATOM 789 CA THR A 50 -3.543 -10.867 -5.253 1.00 0.42 C ATOM 790 C THR A 50 -2.177 -10.284 -4.947 1.00 0.47 C ATOM 791 O THR A 50 -1.858 -9.186 -5.409 1.00 0.84 O ATOM 792 CB THR A 50 -3.549 -11.440 -6.690 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.039 -10.454 -7.612 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.394 -12.709 -6.789 1.00 0.82 C ATOM 0 H THR A 50 -4.165 -8.881 -5.067 1.00 0.46 H new ATOM 0 HA THR A 50 -3.776 -11.684 -4.570 1.00 0.42 H new ATOM 0 HB THR A 50 -2.522 -11.701 -6.946 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.038 -10.825 -8.519 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.373 -13.081 -7.813 1.00 0.82 H new ATOM 0 HG22 THR A 50 -3.990 -13.468 -6.119 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.422 -12.485 -6.505 1.00 0.82 H new ATOM 802 N MET A 51 -1.381 -10.991 -4.155 1.00 0.25 N ATOM 803 CA MET A 51 -0.090 -10.456 -3.746 1.00 0.24 C ATOM 804 C MET A 51 0.814 -10.242 -4.937 1.00 0.26 C ATOM 805 O MET A 51 0.855 -11.044 -5.871 1.00 0.29 O ATOM 806 CB MET A 51 0.634 -11.347 -2.737 1.00 0.25 C ATOM 807 CG MET A 51 1.106 -12.683 -3.292 1.00 0.31 C ATOM 808 SD MET A 51 2.055 -13.637 -2.092 1.00 0.50 S ATOM 809 CE MET A 51 0.969 -13.620 -0.667 1.00 1.00 C ATOM 0 H MET A 51 -1.600 -11.918 -3.789 1.00 0.25 H new ATOM 0 HA MET A 51 -0.309 -9.503 -3.264 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.496 -10.806 -2.348 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.032 -11.534 -1.894 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.242 -13.265 -3.611 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.718 -12.509 -4.177 1.00 0.31 H new ATOM 0 HE1 MET A 51 1.190 -14.477 -0.031 1.00 1.00 H new ATOM 0 HE2 MET A 51 1.123 -12.700 -0.103 1.00 1.00 H new ATOM 0 HE3 MET A 51 -0.068 -13.673 -0.999 1.00 1.00 H new ATOM 819 N TYR A 52 1.518 -9.141 -4.894 1.00 0.28 N ATOM 820 CA TYR A 52 2.551 -8.855 -5.855 1.00 0.32 C ATOM 821 C TYR A 52 3.765 -8.331 -5.115 1.00 0.30 C ATOM 822 O TYR A 52 3.694 -8.068 -3.914 1.00 0.30 O ATOM 823 CB TYR A 52 2.062 -7.862 -6.922 1.00 0.42 C ATOM 824 CG TYR A 52 1.363 -6.609 -6.415 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.760 -5.957 -5.253 1.00 0.49 C ATOM 826 CD2 TYR A 52 0.314 -6.062 -7.142 1.00 0.61 C ATOM 827 CE1 TYR A 52 1.128 -4.801 -4.830 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.325 -4.911 -6.723 1.00 0.72 C ATOM 829 CZ TYR A 52 0.086 -4.283 -5.568 1.00 0.71 C ATOM 830 OH TYR A 52 -0.541 -3.130 -5.152 1.00 0.85 O ATOM 0 H TYR A 52 1.391 -8.415 -4.189 1.00 0.28 H new ATOM 0 HA TYR A 52 2.821 -9.768 -6.387 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.920 -7.555 -7.521 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.379 -8.387 -7.589 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.576 -6.360 -4.671 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.008 -6.546 -8.052 1.00 0.61 H new ATOM 0 HE1 TYR A 52 1.450 -4.307 -3.925 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.144 -4.505 -7.299 1.00 0.72 H new ATOM 0 HH TYR A 52 -1.253 -2.899 -5.784 1.00 0.85 H new ATOM 840 N SER A 53 4.879 -8.204 -5.797 1.00 0.33 N ATOM 841 CA SER A 53 6.053 -7.659 -5.160 1.00 0.33 C ATOM 842 C SER A 53 6.277 -6.244 -5.618 1.00 0.37 C ATOM 843 O SER A 53 6.408 -5.978 -6.811 1.00 0.52 O ATOM 844 CB SER A 53 7.298 -8.499 -5.441 1.00 0.40 C ATOM 845 OG SER A 53 7.126 -9.826 -5.001 1.00 0.93 O ATOM 0 H SER A 53 4.997 -8.466 -6.776 1.00 0.33 H new ATOM 0 HA SER A 53 5.880 -7.674 -4.084 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.511 -8.492 -6.510 1.00 0.40 H new ATOM 0 HB3 SER A 53 8.159 -8.056 -4.941 1.00 0.40 H new ATOM 0 HG SER A 53 7.691 -9.986 -4.216 1.00 0.93 H new ATOM 851 N THR A 54 6.262 -5.338 -4.668 1.00 0.31 N ATOM 852 CA THR A 54 6.631 -3.973 -4.927 1.00 0.33 C ATOM 853 C THR A 54 8.048 -3.770 -4.418 1.00 0.29 C ATOM 854 O THR A 54 8.283 -3.668 -3.215 1.00 0.27 O ATOM 855 CB THR A 54 5.660 -3.013 -4.222 1.00 0.37 C ATOM 856 OG1 THR A 54 4.316 -3.494 -4.370 1.00 0.43 O ATOM 857 CG2 THR A 54 5.759 -1.632 -4.825 1.00 0.43 C ATOM 0 H THR A 54 5.995 -5.528 -3.702 1.00 0.31 H new ATOM 0 HA THR A 54 6.583 -3.763 -5.996 1.00 0.33 H new ATOM 0 HB THR A 54 5.923 -2.963 -3.165 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.698 -2.882 -3.919 1.00 0.43 H new ATOM 0 HG21 THR A 54 5.066 -0.962 -4.316 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.776 -1.257 -4.710 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.507 -1.679 -5.884 1.00 0.43 H new ATOM 865 N ILE A 55 8.994 -3.744 -5.337 1.00 0.30 N ATOM 866 CA ILE A 55 10.394 -3.687 -4.966 1.00 0.28 C ATOM 867 C ILE A 55 10.878 -2.252 -4.971 1.00 0.24 C ATOM 868 O ILE A 55 11.226 -1.717 -6.021 1.00 0.26 O ATOM 869 CB ILE A 55 11.286 -4.510 -5.922 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.585 -5.796 -6.388 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.609 -4.836 -5.241 1.00 0.32 C ATOM 872 CD1 ILE A 55 10.157 -6.723 -5.272 1.00 0.72 C ATOM 0 H ILE A 55 8.819 -3.761 -6.342 1.00 0.30 H new ATOM 0 HA ILE A 55 10.472 -4.115 -3.966 1.00 0.28 H new ATOM 0 HB ILE A 55 11.478 -3.907 -6.810 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.706 -5.523 -6.972 1.00 0.50 H new ATOM 0 HG13 ILE A 55 11.256 -6.338 -7.055 1.00 0.50 H new ATOM 0 HG21 ILE A 55 13.234 -5.416 -5.920 1.00 0.32 H new ATOM 0 HG22 ILE A 55 13.121 -3.910 -4.978 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.420 -5.415 -4.337 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.672 -7.603 -5.695 1.00 0.72 H new ATOM 0 HD12 ILE A 55 11.032 -7.031 -4.699 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.458 -6.204 -4.616 1.00 0.72 H new ATOM 884 N TYR A 56 10.880 -1.629 -3.806 1.00 0.25 N ATOM 885 CA TYR A 56 11.340 -0.254 -3.687 1.00 0.27 C ATOM 886 C TYR A 56 12.865 -0.229 -3.807 1.00 0.30 C ATOM 887 O TYR A 56 13.557 -0.667 -2.893 1.00 0.36 O ATOM 888 CB TYR A 56 10.955 0.368 -2.337 1.00 0.32 C ATOM 889 CG TYR A 56 9.466 0.517 -2.014 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.465 -0.248 -2.615 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.076 1.438 -1.047 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.136 -0.086 -2.262 1.00 0.43 C ATOM 893 CE2 TYR A 56 7.750 1.604 -0.698 1.00 1.01 C ATOM 894 CZ TYR A 56 6.786 0.839 -1.307 1.00 0.79 C ATOM 895 OH TYR A 56 5.464 0.998 -0.958 1.00 1.02 O ATOM 0 H TYR A 56 10.570 -2.050 -2.931 1.00 0.25 H new ATOM 0 HA TYR A 56 10.866 0.324 -4.480 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.409 -0.234 -1.550 1.00 0.32 H new ATOM 0 HB3 TYR A 56 11.409 1.357 -2.283 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.731 -0.977 -3.366 1.00 0.32 H new ATOM 0 HD2 TYR A 56 9.829 2.038 -0.557 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.374 -0.686 -2.737 1.00 0.43 H new ATOM 0 HE2 TYR A 56 7.473 2.332 0.050 1.00 1.01 H new ATOM 0 HH TYR A 56 5.389 1.691 -0.269 1.00 1.02 H new ATOM 905 N GLU A 57 13.386 0.253 -4.925 1.00 0.33 N ATOM 906 CA GLU A 57 14.833 0.331 -5.114 1.00 0.41 C ATOM 907 C GLU A 57 15.297 1.784 -5.127 1.00 0.36 C ATOM 908 O GLU A 57 14.714 2.625 -5.800 1.00 0.42 O ATOM 909 CB GLU A 57 15.236 -0.398 -6.394 1.00 0.52 C ATOM 910 CG GLU A 57 15.003 -1.902 -6.314 1.00 1.13 C ATOM 911 CD GLU A 57 15.401 -2.649 -7.570 1.00 1.56 C ATOM 912 OE1 GLU A 57 14.567 -2.763 -8.489 1.00 1.84 O ATOM 913 OE2 GLU A 57 16.547 -3.145 -7.640 1.00 2.33 O ATOM 0 H GLU A 57 12.836 0.595 -5.713 1.00 0.33 H new ATOM 0 HA GLU A 57 15.326 -0.162 -4.276 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.670 0.009 -7.232 1.00 0.52 H new ATOM 0 HB3 GLU A 57 16.290 -0.208 -6.599 1.00 0.52 H new ATOM 0 HG2 GLU A 57 15.565 -2.303 -5.470 1.00 1.13 H new ATOM 0 HG3 GLU A 57 13.948 -2.087 -6.111 1.00 1.13 H new ATOM 920 N LEU A 58 16.357 2.070 -4.382 1.00 0.41 N ATOM 921 CA LEU A 58 16.743 3.448 -4.079 1.00 0.42 C ATOM 922 C LEU A 58 17.587 4.103 -5.171 1.00 0.43 C ATOM 923 O LEU A 58 18.534 3.513 -5.694 1.00 0.60 O ATOM 924 CB LEU A 58 17.508 3.480 -2.758 1.00 0.62 C ATOM 925 CG LEU A 58 16.809 4.219 -1.620 1.00 0.58 C ATOM 926 CD1 LEU A 58 17.437 3.846 -0.291 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.891 5.724 -1.835 1.00 1.24 C ATOM 0 H LEU A 58 16.969 1.364 -3.973 1.00 0.41 H new ATOM 0 HA LEU A 58 15.820 4.024 -4.013 1.00 0.42 H new ATOM 0 HB2 LEU A 58 17.698 2.454 -2.441 1.00 0.62 H new ATOM 0 HB3 LEU A 58 18.479 3.945 -2.930 1.00 0.62 H new ATOM 0 HG LEU A 58 15.759 3.926 -1.608 1.00 0.58 H new ATOM 0 HD11 LEU A 58 16.930 4.379 0.513 1.00 1.24 H new ATOM 0 HD12 LEU A 58 17.340 2.772 -0.132 1.00 1.24 H new ATOM 0 HD13 LEU A 58 18.492 4.118 -0.298 1.00 1.24 H new ATOM 0 HD21 LEU A 58 16.388 6.237 -1.015 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.937 6.030 -1.868 1.00 1.24 H new ATOM 0 HD23 LEU A 58 16.407 5.984 -2.777 1.00 1.24 H new ATOM 939 N GLN A 59 17.223 5.342 -5.500 1.00 0.37 N ATOM 940 CA GLN A 59 18.045 6.198 -6.337 1.00 0.48 C ATOM 941 C GLN A 59 18.807 7.181 -5.455 1.00 0.57 C ATOM 942 O GLN A 59 18.702 7.132 -4.231 1.00 0.58 O ATOM 943 CB GLN A 59 17.181 6.961 -7.346 1.00 0.53 C ATOM 944 CG GLN A 59 16.654 6.091 -8.473 1.00 1.13 C ATOM 945 CD GLN A 59 17.750 5.646 -9.419 1.00 1.75 C ATOM 946 OE1 GLN A 59 17.691 4.555 -9.986 1.00 2.50 O ATOM 947 NE2 GLN A 59 18.745 6.497 -9.622 1.00 2.33 N ATOM 0 H GLN A 59 16.352 5.774 -5.192 1.00 0.37 H new ATOM 0 HA GLN A 59 18.750 5.579 -6.892 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.339 7.413 -6.822 1.00 0.53 H new ATOM 0 HB3 GLN A 59 17.767 7.776 -7.771 1.00 0.53 H new ATOM 0 HG2 GLN A 59 16.163 5.214 -8.052 1.00 1.13 H new ATOM 0 HG3 GLN A 59 15.898 6.643 -9.031 1.00 1.13 H new ATOM 0 HE21 GLN A 59 18.758 7.392 -9.133 1.00 2.33 H new ATOM 0 HE22 GLN A 59 19.498 6.257 -10.267 1.00 2.33 H new ATOM 956 N GLU A 60 19.541 8.087 -6.073 1.00 0.69 N ATOM 957 CA GLU A 60 20.333 9.064 -5.338 1.00 0.82 C ATOM 958 C GLU A 60 19.453 10.211 -4.850 1.00 0.75 C ATOM 959 O GLU A 60 19.887 11.054 -4.066 1.00 0.89 O ATOM 960 CB GLU A 60 21.468 9.609 -6.215 1.00 1.05 C ATOM 961 CG GLU A 60 20.998 10.333 -7.471 1.00 1.11 C ATOM 962 CD GLU A 60 20.497 9.393 -8.552 1.00 1.47 C ATOM 963 OE1 GLU A 60 19.295 9.056 -8.546 1.00 1.73 O ATOM 964 OE2 GLU A 60 21.305 8.979 -9.405 1.00 1.79 O ATOM 0 H GLU A 60 19.607 8.169 -7.087 1.00 0.69 H new ATOM 0 HA GLU A 60 20.769 8.565 -4.473 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.074 10.293 -5.621 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.115 8.782 -6.507 1.00 1.05 H new ATOM 0 HG2 GLU A 60 20.201 11.028 -7.205 1.00 1.11 H new ATOM 0 HG3 GLU A 60 21.820 10.928 -7.869 1.00 1.11 H new ATOM 971 N ASP A 61 18.209 10.221 -5.310 1.00 0.64 N ATOM 972 CA ASP A 61 17.275 11.293 -4.988 1.00 0.70 C ATOM 973 C ASP A 61 16.122 10.736 -4.157 1.00 0.54 C ATOM 974 O ASP A 61 15.014 11.264 -4.173 1.00 0.50 O ATOM 975 CB ASP A 61 16.759 11.926 -6.290 1.00 0.92 C ATOM 976 CG ASP A 61 15.869 13.136 -6.067 1.00 1.18 C ATOM 977 OD1 ASP A 61 16.272 14.048 -5.317 1.00 1.41 O ATOM 978 OD2 ASP A 61 14.762 13.179 -6.645 1.00 1.26 O ATOM 0 H ASP A 61 17.821 9.494 -5.911 1.00 0.64 H new ATOM 0 HA ASP A 61 17.778 12.062 -4.403 1.00 0.70 H new ATOM 0 HB2 ASP A 61 17.611 12.220 -6.904 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.204 11.176 -6.854 1.00 0.92 H new ATOM 983 N ASN A 62 16.415 9.641 -3.439 1.00 0.52 N ATOM 984 CA ASN A 62 15.429 8.867 -2.651 1.00 0.46 C ATOM 985 C ASN A 62 14.152 8.547 -3.426 1.00 0.36 C ATOM 986 O ASN A 62 13.174 8.089 -2.842 1.00 0.41 O ATOM 987 CB ASN A 62 15.071 9.509 -1.294 1.00 0.57 C ATOM 988 CG ASN A 62 14.686 10.979 -1.364 1.00 0.70 C ATOM 989 OD1 ASN A 62 13.412 11.253 -1.602 1.00 1.36 O flip ATOM 990 ND2 ASN A 62 15.529 11.863 -1.201 1.00 1.35 N flip ATOM 0 H ASN A 62 17.359 9.258 -3.385 1.00 0.52 H new ATOM 0 HA ASN A 62 15.946 7.930 -2.445 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.245 8.952 -0.852 1.00 0.57 H new ATOM 0 HB3 ASN A 62 15.923 9.403 -0.622 1.00 0.57 H new ATOM 0 HD21 ASN A 62 16.501 11.613 -1.020 1.00 1.35 H new ATOM 0 HD22 ASN A 62 15.255 12.844 -1.247 1.00 1.35 H new ATOM 997 N SER A 63 14.150 8.780 -4.725 1.00 0.34 N ATOM 998 CA SER A 63 13.081 8.293 -5.560 1.00 0.30 C ATOM 999 C SER A 63 13.328 6.824 -5.800 1.00 0.29 C ATOM 1000 O SER A 63 14.383 6.437 -6.295 1.00 0.31 O ATOM 1001 CB SER A 63 13.008 9.070 -6.880 1.00 0.35 C ATOM 1002 OG SER A 63 14.266 9.111 -7.537 1.00 0.96 O ATOM 0 H SER A 63 14.875 9.301 -5.218 1.00 0.34 H new ATOM 0 HA SER A 63 12.120 8.438 -5.066 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.271 8.606 -7.535 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.666 10.087 -6.685 1.00 0.35 H new ATOM 0 HG SER A 63 14.181 9.612 -8.375 1.00 0.96 H new ATOM 1008 N TYR A 64 12.395 5.997 -5.407 1.00 0.28 N ATOM 1009 CA TYR A 64 12.599 4.579 -5.537 1.00 0.28 C ATOM 1010 C TYR A 64 12.094 4.124 -6.895 1.00 0.29 C ATOM 1011 O TYR A 64 10.997 4.505 -7.308 1.00 0.30 O ATOM 1012 CB TYR A 64 11.846 3.815 -4.434 1.00 0.28 C ATOM 1013 CG TYR A 64 12.108 4.283 -3.009 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.339 4.804 -2.620 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.112 4.178 -2.047 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.563 5.211 -1.309 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.327 4.583 -0.743 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.554 5.098 -0.380 1.00 0.42 C ATOM 1019 OH TYR A 64 12.775 5.499 0.919 1.00 0.49 O ATOM 0 H TYR A 64 11.501 6.274 -5.001 1.00 0.28 H new ATOM 0 HA TYR A 64 13.664 4.369 -5.441 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.777 3.891 -4.631 1.00 0.28 H new ATOM 0 HB3 TYR A 64 12.109 2.760 -4.504 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.132 4.894 -3.347 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.150 3.772 -2.323 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.523 5.613 -1.022 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.537 4.497 -0.011 1.00 0.45 H new ATOM 0 HH TYR A 64 13.442 4.913 1.333 1.00 0.49 H new ATOM 1029 N ASN A 65 12.889 3.324 -7.592 1.00 0.32 N ATOM 1030 CA ASN A 65 12.400 2.649 -8.775 1.00 0.36 C ATOM 1031 C ASN A 65 11.776 1.360 -8.304 1.00 0.32 C ATOM 1032 O ASN A 65 12.452 0.401 -7.943 1.00 0.37 O ATOM 1033 CB ASN A 65 13.499 2.423 -9.831 1.00 0.48 C ATOM 1034 CG ASN A 65 14.694 1.629 -9.336 1.00 1.24 C ATOM 1035 OD1 ASN A 65 14.698 0.331 -9.596 1.00 2.02 O flip ATOM 1036 ND2 ASN A 65 15.620 2.185 -8.750 1.00 1.96 N flip ATOM 0 H ASN A 65 13.863 3.131 -7.359 1.00 0.32 H new ATOM 0 HA ASN A 65 11.664 3.267 -9.289 1.00 0.36 H new ATOM 0 HB2 ASN A 65 13.063 1.905 -10.685 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.846 3.392 -10.189 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.580 3.188 -8.568 1.00 1.96 H new ATOM 0 HD22 ASN A 65 16.429 1.644 -8.445 1.00 1.96 H new ATOM 1043 N VAL A 66 10.471 1.372 -8.242 1.00 0.31 N ATOM 1044 CA VAL A 66 9.753 0.376 -7.500 1.00 0.29 C ATOM 1045 C VAL A 66 9.154 -0.661 -8.414 1.00 0.31 C ATOM 1046 O VAL A 66 8.113 -0.451 -9.039 1.00 0.37 O ATOM 1047 CB VAL A 66 8.666 1.023 -6.646 1.00 0.37 C ATOM 1048 CG1 VAL A 66 8.264 0.089 -5.538 1.00 0.67 C ATOM 1049 CG2 VAL A 66 9.162 2.340 -6.073 1.00 0.65 C ATOM 0 H VAL A 66 9.882 2.067 -8.701 1.00 0.31 H new ATOM 0 HA VAL A 66 10.463 -0.125 -6.842 1.00 0.29 H new ATOM 0 HB VAL A 66 7.796 1.224 -7.271 1.00 0.37 H new ATOM 0 HG11 VAL A 66 7.488 0.556 -4.932 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.882 -0.838 -5.965 1.00 0.67 H new ATOM 0 HG13 VAL A 66 9.130 -0.129 -4.913 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.377 2.791 -5.466 1.00 0.65 H new ATOM 0 HG22 VAL A 66 10.041 2.160 -5.454 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.424 3.015 -6.887 1.00 0.65 H new ATOM 1059 N THR A 67 9.810 -1.791 -8.454 1.00 0.34 N ATOM 1060 CA THR A 67 9.473 -2.844 -9.379 1.00 0.39 C ATOM 1061 C THR A 67 8.219 -3.568 -8.903 1.00 0.47 C ATOM 1062 O THR A 67 8.277 -4.389 -7.994 1.00 0.71 O ATOM 1063 CB THR A 67 10.644 -3.834 -9.508 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.863 -3.104 -9.713 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.439 -4.779 -10.677 1.00 0.74 C ATOM 0 H THR A 67 10.597 -2.009 -7.843 1.00 0.34 H new ATOM 0 HA THR A 67 9.279 -2.407 -10.359 1.00 0.39 H new ATOM 0 HB THR A 67 10.696 -4.419 -8.590 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.516 -3.359 -9.028 1.00 0.58 H new ATOM 0 HG21 THR A 67 11.283 -5.466 -10.742 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.520 -5.346 -10.530 1.00 0.74 H new ATOM 0 HG23 THR A 67 10.367 -4.205 -11.601 1.00 0.74 H new ATOM 1073 N SER A 68 7.083 -3.231 -9.493 1.00 0.44 N ATOM 1074 CA SER A 68 5.814 -3.809 -9.090 1.00 0.52 C ATOM 1075 C SER A 68 5.383 -4.876 -10.091 1.00 0.53 C ATOM 1076 O SER A 68 4.852 -4.565 -11.154 1.00 0.65 O ATOM 1077 CB SER A 68 4.757 -2.708 -8.993 1.00 0.60 C ATOM 1078 OG SER A 68 5.245 -1.606 -8.236 1.00 1.14 O ATOM 0 H SER A 68 7.016 -2.557 -10.256 1.00 0.44 H new ATOM 0 HA SER A 68 5.926 -4.279 -8.113 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.480 -2.374 -9.993 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.854 -3.104 -8.528 1.00 0.60 H new ATOM 0 HG SER A 68 5.544 -0.898 -8.844 1.00 1.14 H new ATOM 1084 N ILE A 69 5.632 -6.135 -9.763 1.00 0.53 N ATOM 1085 CA ILE A 69 5.321 -7.216 -10.684 1.00 0.53 C ATOM 1086 C ILE A 69 3.857 -7.607 -10.614 1.00 0.60 C ATOM 1087 O ILE A 69 3.299 -7.808 -9.540 1.00 0.74 O ATOM 1088 CB ILE A 69 6.198 -8.468 -10.447 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.747 -9.581 -11.404 1.00 0.66 C ATOM 1090 CG2 ILE A 69 6.109 -8.916 -8.984 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.794 -10.628 -11.700 1.00 0.78 C ATOM 0 H ILE A 69 6.043 -6.430 -8.878 1.00 0.53 H new ATOM 0 HA ILE A 69 5.541 -6.829 -11.679 1.00 0.53 H new ATOM 0 HB ILE A 69 7.243 -8.232 -10.650 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.872 -10.073 -10.979 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.432 -9.127 -12.344 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.732 -9.798 -8.835 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.457 -8.112 -8.335 1.00 0.57 H new ATOM 0 HG23 ILE A 69 5.074 -9.157 -8.740 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.383 -11.371 -12.384 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.663 -10.155 -12.158 1.00 0.78 H new ATOM 0 HD13 ILE A 69 7.093 -11.116 -10.772 1.00 0.78 H new ATOM 1103 N LEU A 70 3.251 -7.702 -11.779 1.00 0.56 N ATOM 1104 CA LEU A 70 1.872 -8.123 -11.908 1.00 0.64 C ATOM 1105 C LEU A 70 1.716 -8.908 -13.195 1.00 0.64 C ATOM 1106 O LEU A 70 2.556 -8.813 -14.091 1.00 0.67 O ATOM 1107 CB LEU A 70 0.915 -6.919 -11.895 1.00 0.74 C ATOM 1108 CG LEU A 70 1.566 -5.524 -11.912 1.00 0.66 C ATOM 1109 CD1 LEU A 70 2.229 -5.231 -13.249 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.536 -4.453 -11.593 1.00 1.18 C ATOM 0 H LEU A 70 3.704 -7.488 -12.668 1.00 0.56 H new ATOM 0 HA LEU A 70 1.614 -8.753 -11.056 1.00 0.64 H new ATOM 0 HB2 LEU A 70 0.255 -6.998 -12.759 1.00 0.74 H new ATOM 0 HB3 LEU A 70 0.287 -6.992 -11.007 1.00 0.74 H new ATOM 0 HG LEU A 70 2.340 -5.514 -11.145 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.677 -4.238 -13.223 1.00 0.96 H new ATOM 0 HD12 LEU A 70 3.003 -5.974 -13.442 1.00 0.96 H new ATOM 0 HD13 LEU A 70 1.482 -5.271 -14.042 1.00 0.96 H new ATOM 0 HD21 LEU A 70 1.013 -3.473 -11.609 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.260 -4.481 -12.337 1.00 1.18 H new ATOM 0 HD23 LEU A 70 0.116 -4.636 -10.604 1.00 1.18 H new ATOM 1122 N VAL A 71 0.666 -9.702 -13.279 1.00 0.70 N ATOM 1123 CA VAL A 71 0.431 -10.507 -14.462 1.00 0.74 C ATOM 1124 C VAL A 71 -0.055 -9.623 -15.607 1.00 0.83 C ATOM 1125 O VAL A 71 -0.992 -8.838 -15.449 1.00 0.99 O ATOM 1126 CB VAL A 71 -0.568 -11.647 -14.181 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.613 -12.611 -15.350 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.190 -12.378 -12.902 1.00 0.84 C ATOM 0 H VAL A 71 -0.035 -9.807 -12.546 1.00 0.70 H new ATOM 0 HA VAL A 71 1.374 -10.970 -14.752 1.00 0.74 H new ATOM 0 HB VAL A 71 -1.561 -11.215 -14.052 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.323 -13.410 -15.136 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -0.926 -12.079 -16.248 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.377 -13.038 -15.508 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -0.904 -13.180 -12.717 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.810 -12.799 -13.006 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.204 -11.679 -12.066 1.00 0.84 H new ATOM 1138 N ARG A 72 0.603 -9.735 -16.750 1.00 0.83 N ATOM 1139 CA ARG A 72 0.394 -8.806 -17.851 1.00 0.95 C ATOM 1140 C ARG A 72 -0.126 -9.526 -19.093 1.00 1.12 C ATOM 1141 O ARG A 72 0.651 -9.917 -19.966 1.00 1.43 O ATOM 1142 CB ARG A 72 1.712 -8.092 -18.179 1.00 1.03 C ATOM 1143 CG ARG A 72 2.432 -7.515 -16.963 1.00 1.02 C ATOM 1144 CD ARG A 72 1.845 -6.186 -16.502 1.00 1.01 C ATOM 1145 NE ARG A 72 0.435 -6.283 -16.120 1.00 1.53 N ATOM 1146 CZ ARG A 72 -0.388 -5.239 -16.067 1.00 2.19 C ATOM 1147 NH1 ARG A 72 0.055 -4.028 -16.386 1.00 2.48 N ATOM 1148 NH2 ARG A 72 -1.649 -5.402 -15.690 1.00 2.99 N ATOM 0 H ARG A 72 1.290 -10.464 -16.941 1.00 0.83 H new ATOM 0 HA ARG A 72 -0.355 -8.076 -17.544 1.00 0.95 H new ATOM 0 HB2 ARG A 72 2.377 -8.794 -18.681 1.00 1.03 H new ATOM 0 HB3 ARG A 72 1.509 -7.285 -18.884 1.00 1.03 H new ATOM 0 HG2 ARG A 72 2.383 -8.232 -16.144 1.00 1.02 H new ATOM 0 HG3 ARG A 72 3.486 -7.377 -17.203 1.00 1.02 H new ATOM 0 HD2 ARG A 72 2.421 -5.816 -15.653 1.00 1.01 H new ATOM 0 HD3 ARG A 72 1.949 -5.453 -17.302 1.00 1.01 H new ATOM 0 HE ARG A 72 0.063 -7.202 -15.881 1.00 1.53 H new ATOM 0 HH11 ARG A 72 1.026 -3.899 -16.671 1.00 2.48 H new ATOM 0 HH12 ARG A 72 -0.576 -3.227 -16.346 1.00 2.48 H new ATOM 0 HH21 ARG A 72 -1.991 -6.330 -15.440 1.00 2.99 H new ATOM 0 HH22 ARG A 72 -2.277 -4.599 -15.650 1.00 2.99 H new ATOM 1162 N GLY A 73 -1.435 -9.721 -19.154 1.00 1.41 N ATOM 1163 CA GLY A 73 -2.050 -10.286 -20.341 1.00 1.65 C ATOM 1164 C GLY A 73 -1.905 -11.792 -20.438 1.00 1.69 C ATOM 1165 O GLY A 73 -2.880 -12.527 -20.274 1.00 2.28 O ATOM 0 H GLY A 73 -2.086 -9.498 -18.401 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -3.109 -10.030 -20.349 1.00 1.65 H new ATOM 0 HA3 GLY A 73 -1.605 -9.828 -21.224 1.00 1.65 H new ATOM 1169 N GLN A 74 -0.690 -12.255 -20.706 1.00 1.63 N ATOM 1170 CA GLN A 74 -0.443 -13.677 -20.917 1.00 1.87 C ATOM 1171 C GLN A 74 0.838 -14.124 -20.212 1.00 1.45 C ATOM 1172 O GLN A 74 1.645 -14.874 -20.763 1.00 1.77 O ATOM 1173 CB GLN A 74 -0.365 -13.985 -22.418 1.00 2.56 C ATOM 1174 CG GLN A 74 0.769 -13.270 -23.137 1.00 3.31 C ATOM 1175 CD GLN A 74 0.824 -13.606 -24.613 1.00 4.11 C ATOM 1176 OE1 GLN A 74 1.466 -14.575 -25.017 1.00 4.39 O ATOM 1177 NE2 GLN A 74 0.167 -12.798 -25.429 1.00 4.91 N ATOM 0 H GLN A 74 0.140 -11.667 -20.782 1.00 1.63 H new ATOM 0 HA GLN A 74 -1.275 -14.234 -20.486 1.00 1.87 H new ATOM 0 HB2 GLN A 74 -0.246 -15.060 -22.552 1.00 2.56 H new ATOM 0 HB3 GLN A 74 -1.310 -13.708 -22.885 1.00 2.56 H new ATOM 0 HG2 GLN A 74 0.649 -12.193 -23.017 1.00 3.31 H new ATOM 0 HG3 GLN A 74 1.717 -13.539 -22.671 1.00 3.31 H new ATOM 0 HE21 GLN A 74 -0.353 -12.006 -25.052 1.00 4.91 H new ATOM 0 HE22 GLN A 74 0.181 -12.968 -26.435 1.00 4.91 H new ATOM 1186 N GLY A 75 1.026 -13.661 -18.992 1.00 0.97 N ATOM 1187 CA GLY A 75 2.195 -14.047 -18.234 1.00 0.88 C ATOM 1188 C GLY A 75 2.574 -13.009 -17.213 1.00 0.81 C ATOM 1189 O GLY A 75 1.771 -12.149 -16.877 1.00 0.81 O ATOM 0 H GLY A 75 0.391 -13.024 -18.510 1.00 0.97 H new ATOM 0 HA2 GLY A 75 2.005 -14.996 -17.733 1.00 0.88 H new ATOM 0 HA3 GLY A 75 3.031 -14.208 -18.914 1.00 0.88 H new ATOM 1193 N CYS A 76 3.809 -13.039 -16.760 1.00 0.79 N ATOM 1194 CA CYS A 76 4.231 -12.165 -15.681 1.00 0.73 C ATOM 1195 C CYS A 76 5.186 -11.114 -16.228 1.00 0.75 C ATOM 1196 O CYS A 76 5.922 -11.386 -17.180 1.00 0.92 O ATOM 1197 CB CYS A 76 4.976 -12.980 -14.622 1.00 0.78 C ATOM 1198 SG CYS A 76 4.285 -14.640 -14.346 1.00 1.26 S ATOM 0 H CYS A 76 4.538 -13.656 -17.119 1.00 0.79 H new ATOM 0 HA CYS A 76 3.353 -11.691 -15.243 1.00 0.73 H new ATOM 0 HB2 CYS A 76 6.020 -13.077 -14.921 1.00 0.78 H new ATOM 0 HB3 CYS A 76 4.964 -12.431 -13.680 1.00 0.78 H new ATOM 1203 N ARG A 77 5.165 -9.917 -15.658 1.00 0.65 N ATOM 1204 CA ARG A 77 6.139 -8.897 -16.019 1.00 0.67 C ATOM 1205 C ARG A 77 6.243 -7.856 -14.920 1.00 0.57 C ATOM 1206 O ARG A 77 5.255 -7.541 -14.251 1.00 0.56 O ATOM 1207 CB ARG A 77 5.773 -8.222 -17.344 1.00 0.79 C ATOM 1208 CG ARG A 77 6.895 -7.358 -17.898 1.00 1.22 C ATOM 1209 CD ARG A 77 6.549 -6.754 -19.248 1.00 1.46 C ATOM 1210 NE ARG A 77 5.573 -5.668 -19.154 1.00 2.14 N ATOM 1211 CZ ARG A 77 5.903 -4.392 -18.947 1.00 2.81 C ATOM 1212 NH1 ARG A 77 7.162 -4.060 -18.677 1.00 3.04 N ATOM 1213 NH2 ARG A 77 4.968 -3.452 -18.992 1.00 3.68 N ATOM 0 H ARG A 77 4.490 -9.630 -14.949 1.00 0.65 H new ATOM 0 HA ARG A 77 7.105 -9.387 -16.142 1.00 0.67 H new ATOM 0 HB2 ARG A 77 5.515 -8.987 -18.076 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.885 -7.607 -17.199 1.00 0.79 H new ATOM 0 HG2 ARG A 77 7.117 -6.558 -17.191 1.00 1.22 H new ATOM 0 HG3 ARG A 77 7.799 -7.959 -17.993 1.00 1.22 H new ATOM 0 HD2 ARG A 77 7.459 -6.378 -19.716 1.00 1.46 H new ATOM 0 HD3 ARG A 77 6.155 -7.534 -19.899 1.00 1.46 H new ATOM 0 HE ARG A 77 4.585 -5.900 -19.252 1.00 2.14 H new ATOM 0 HH11 ARG A 77 7.880 -4.782 -18.627 1.00 3.04 H new ATOM 0 HH12 ARG A 77 7.409 -3.083 -18.520 1.00 3.04 H new ATOM 0 HH21 ARG A 77 3.999 -3.705 -19.185 1.00 3.68 H new ATOM 0 HH22 ARG A 77 5.218 -2.476 -18.834 1.00 3.68 H new ATOM 1227 N TYR A 78 7.440 -7.332 -14.731 1.00 0.56 N ATOM 1228 CA TYR A 78 7.677 -6.318 -13.725 1.00 0.48 C ATOM 1229 C TYR A 78 7.290 -4.952 -14.261 1.00 0.47 C ATOM 1230 O TYR A 78 7.874 -4.468 -15.229 1.00 0.53 O ATOM 1231 CB TYR A 78 9.149 -6.312 -13.303 1.00 0.47 C ATOM 1232 CG TYR A 78 9.622 -7.628 -12.718 1.00 0.53 C ATOM 1233 CD1 TYR A 78 9.169 -8.077 -11.479 1.00 0.47 C ATOM 1234 CD2 TYR A 78 10.511 -8.431 -13.417 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.591 -9.288 -10.963 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.939 -9.640 -12.904 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.476 -10.064 -11.680 1.00 0.70 C ATOM 1238 OH TYR A 78 10.894 -11.271 -11.171 1.00 0.80 O ATOM 0 H TYR A 78 8.267 -7.595 -15.266 1.00 0.56 H new ATOM 0 HA TYR A 78 7.065 -6.548 -12.853 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.765 -6.067 -14.169 1.00 0.47 H new ATOM 0 HB3 TYR A 78 9.304 -5.522 -12.568 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.478 -7.470 -10.913 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.875 -8.105 -14.380 1.00 0.70 H new ATOM 0 HE1 TYR A 78 9.229 -9.624 -10.003 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.634 -10.250 -13.462 1.00 0.79 H new ATOM 0 HH TYR A 78 11.515 -11.694 -11.800 1.00 0.80 H new ATOM 1248 N TRP A 79 6.286 -4.352 -13.655 1.00 0.47 N ATOM 1249 CA TRP A 79 5.906 -2.994 -13.985 1.00 0.51 C ATOM 1250 C TRP A 79 6.528 -2.067 -12.951 1.00 0.46 C ATOM 1251 O TRP A 79 6.084 -2.005 -11.805 1.00 0.45 O ATOM 1252 CB TRP A 79 4.375 -2.878 -14.005 1.00 0.61 C ATOM 1253 CG TRP A 79 3.848 -1.524 -14.394 1.00 0.72 C ATOM 1254 CD1 TRP A 79 3.876 -0.374 -13.653 1.00 1.33 C ATOM 1255 CD2 TRP A 79 3.182 -1.196 -15.618 1.00 1.44 C ATOM 1256 NE1 TRP A 79 3.284 0.653 -14.353 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.849 0.172 -15.562 1.00 1.32 C ATOM 1258 CE3 TRP A 79 2.843 -1.926 -16.761 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 2.190 0.820 -16.604 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 2.190 -1.281 -17.793 1.00 3.53 C ATOM 1261 CH2 TRP A 79 1.870 0.078 -17.710 1.00 3.20 C ATOM 0 H TRP A 79 5.716 -4.786 -12.928 1.00 0.47 H new ATOM 0 HA TRP A 79 6.267 -2.714 -14.975 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.978 -3.619 -14.698 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.993 -3.130 -13.016 1.00 0.61 H new ATOM 0 HD1 TRP A 79 4.300 -0.285 -12.664 1.00 1.33 H new ATOM 0 HE1 TRP A 79 3.185 1.614 -14.026 1.00 1.23 H new ATOM 0 HE3 TRP A 79 3.087 -2.975 -16.836 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 1.940 1.869 -16.542 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 1.922 -1.836 -18.680 1.00 3.53 H new ATOM 0 HH2 TRP A 79 1.360 0.552 -18.535 1.00 3.20 H new ATOM 1272 N ILE A 80 7.571 -1.360 -13.345 1.00 0.46 N ATOM 1273 CA ILE A 80 8.346 -0.588 -12.393 1.00 0.42 C ATOM 1274 C ILE A 80 7.796 0.835 -12.269 1.00 0.42 C ATOM 1275 O ILE A 80 7.549 1.519 -13.263 1.00 0.49 O ATOM 1276 CB ILE A 80 9.857 -0.576 -12.740 1.00 0.43 C ATOM 1277 CG1 ILE A 80 10.428 -2.010 -12.746 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.627 0.276 -11.744 1.00 0.40 C ATOM 1279 CD1 ILE A 80 10.188 -2.774 -14.031 1.00 0.55 C ATOM 0 H ILE A 80 7.899 -1.304 -14.309 1.00 0.46 H new ATOM 0 HA ILE A 80 8.248 -1.079 -11.425 1.00 0.42 H new ATOM 0 HB ILE A 80 9.969 -0.148 -13.736 1.00 0.43 H new ATOM 0 HG12 ILE A 80 11.501 -1.961 -12.562 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.987 -2.567 -11.919 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.686 0.272 -12.004 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.250 1.298 -11.772 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.498 -0.131 -10.741 1.00 0.40 H new ATOM 0 HD11 ILE A 80 10.622 -3.771 -13.948 1.00 0.55 H new ATOM 0 HD12 ILE A 80 9.116 -2.858 -14.209 1.00 0.55 H new ATOM 0 HD13 ILE A 80 10.653 -2.244 -14.862 1.00 0.55 H new ATOM 1291 N ARG A 81 7.605 1.243 -11.028 1.00 0.41 N ATOM 1292 CA ARG A 81 6.944 2.490 -10.676 1.00 0.44 C ATOM 1293 C ARG A 81 7.931 3.364 -9.887 1.00 0.35 C ATOM 1294 O ARG A 81 9.097 3.003 -9.771 1.00 0.42 O ATOM 1295 CB ARG A 81 5.704 2.105 -9.855 1.00 0.57 C ATOM 1296 CG ARG A 81 4.813 3.242 -9.389 1.00 1.21 C ATOM 1297 CD ARG A 81 3.521 2.696 -8.795 1.00 1.97 C ATOM 1298 NE ARG A 81 3.704 1.361 -8.206 1.00 2.78 N ATOM 1299 CZ ARG A 81 2.890 0.813 -7.301 1.00 3.79 C ATOM 1300 NH1 ARG A 81 1.851 1.491 -6.827 1.00 4.16 N ATOM 1301 NH2 ARG A 81 3.123 -0.420 -6.866 1.00 4.76 N ATOM 0 H ARG A 81 7.911 0.706 -10.217 1.00 0.41 H new ATOM 0 HA ARG A 81 6.632 3.071 -11.544 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.100 1.422 -10.452 1.00 0.57 H new ATOM 0 HB3 ARG A 81 6.036 1.552 -8.977 1.00 0.57 H new ATOM 0 HG2 ARG A 81 5.337 3.842 -8.645 1.00 1.21 H new ATOM 0 HG3 ARG A 81 4.585 3.901 -10.227 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.156 3.382 -8.031 1.00 1.97 H new ATOM 0 HD3 ARG A 81 2.758 2.648 -9.571 1.00 1.97 H new ATOM 0 HE ARG A 81 4.510 0.815 -8.511 1.00 2.78 H new ATOM 0 HH11 ARG A 81 1.669 2.440 -7.154 1.00 4.16 H new ATOM 0 HH12 ARG A 81 1.235 1.063 -6.136 1.00 4.16 H new ATOM 0 HH21 ARG A 81 3.921 -0.945 -7.223 1.00 4.76 H new ATOM 0 HH22 ARG A 81 2.503 -0.842 -6.175 1.00 4.76 H new ATOM 1315 N THR A 82 7.498 4.505 -9.362 1.00 0.41 N ATOM 1316 CA THR A 82 8.396 5.356 -8.588 1.00 0.35 C ATOM 1317 C THR A 82 7.726 5.789 -7.293 1.00 0.32 C ATOM 1318 O THR A 82 6.625 6.334 -7.308 1.00 0.36 O ATOM 1319 CB THR A 82 8.832 6.606 -9.390 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.145 6.229 -10.738 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.057 7.281 -8.760 1.00 0.36 C ATOM 0 H THR A 82 6.546 4.859 -9.455 1.00 0.41 H new ATOM 0 HA THR A 82 9.287 4.770 -8.361 1.00 0.35 H new ATOM 0 HB THR A 82 8.005 7.316 -9.378 1.00 0.38 H new ATOM 0 HG1 THR A 82 9.419 7.022 -11.244 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.335 8.155 -9.350 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.819 7.591 -7.743 1.00 0.36 H new ATOM 0 HG23 THR A 82 10.890 6.578 -8.739 1.00 0.36 H new ATOM 1329 N PHE A 83 8.381 5.517 -6.177 1.00 0.27 N ATOM 1330 CA PHE A 83 7.911 5.975 -4.878 1.00 0.26 C ATOM 1331 C PHE A 83 8.915 6.947 -4.304 1.00 0.26 C ATOM 1332 O PHE A 83 10.096 6.638 -4.179 1.00 0.36 O ATOM 1333 CB PHE A 83 7.700 4.809 -3.903 1.00 0.26 C ATOM 1334 CG PHE A 83 6.438 4.024 -4.134 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.191 4.594 -3.939 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.506 2.708 -4.541 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.039 3.857 -4.150 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.369 1.963 -4.754 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.128 2.539 -4.559 1.00 0.42 C ATOM 0 H PHE A 83 9.246 4.977 -6.144 1.00 0.27 H new ATOM 0 HA PHE A 83 6.947 6.464 -5.017 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.552 4.133 -3.975 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.689 5.200 -2.886 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.117 5.623 -3.619 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.473 2.252 -4.696 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.071 4.311 -3.995 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.446 0.934 -5.072 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.231 1.962 -4.725 1.00 0.42 H new ATOM 1349 N VAL A 84 8.440 8.121 -3.970 1.00 0.24 N ATOM 1350 CA VAL A 84 9.299 9.187 -3.514 1.00 0.24 C ATOM 1351 C VAL A 84 8.808 9.734 -2.181 1.00 0.24 C ATOM 1352 O VAL A 84 7.657 10.153 -2.057 1.00 0.27 O ATOM 1353 CB VAL A 84 9.364 10.326 -4.558 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.103 9.884 -5.809 1.00 0.30 C ATOM 1355 CG2 VAL A 84 7.971 10.783 -4.935 1.00 0.29 C ATOM 0 H VAL A 84 7.450 8.365 -4.006 1.00 0.24 H new ATOM 0 HA VAL A 84 10.301 8.778 -3.382 1.00 0.24 H new ATOM 0 HB VAL A 84 9.907 11.155 -4.104 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.132 10.706 -6.524 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.121 9.595 -5.547 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.587 9.034 -6.255 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.038 11.585 -5.670 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.416 9.946 -5.360 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.455 11.147 -4.047 1.00 0.29 H new ATOM 1365 N PRO A 85 9.657 9.672 -1.147 1.00 0.35 N ATOM 1366 CA PRO A 85 9.376 10.303 0.138 1.00 0.34 C ATOM 1367 C PRO A 85 8.925 11.748 -0.036 1.00 0.38 C ATOM 1368 O PRO A 85 9.464 12.486 -0.864 1.00 0.52 O ATOM 1369 CB PRO A 85 10.722 10.245 0.860 1.00 0.49 C ATOM 1370 CG PRO A 85 11.392 9.043 0.297 1.00 0.78 C ATOM 1371 CD PRO A 85 10.938 8.947 -1.136 1.00 0.56 C ATOM 0 HA PRO A 85 8.570 9.808 0.680 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.308 11.147 0.682 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.591 10.158 1.939 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.476 9.137 0.357 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.118 8.147 0.854 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.660 9.400 -1.816 1.00 0.56 H new ATOM 0 HD3 PRO A 85 10.814 7.910 -1.448 1.00 0.56 H new ATOM 1379 N SER A 86 7.915 12.122 0.730 1.00 0.34 N ATOM 1380 CA SER A 86 7.369 13.470 0.706 1.00 0.46 C ATOM 1381 C SER A 86 8.370 14.460 1.313 1.00 0.58 C ATOM 1382 O SER A 86 9.573 14.378 1.070 1.00 0.93 O ATOM 1383 CB SER A 86 6.070 13.502 1.502 1.00 0.53 C ATOM 1384 OG SER A 86 6.309 13.142 2.851 1.00 1.27 O ATOM 0 H SER A 86 7.448 11.498 1.388 1.00 0.34 H new ATOM 0 HA SER A 86 7.175 13.757 -0.327 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.633 14.500 1.457 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.347 12.817 1.059 1.00 0.53 H new ATOM 0 HG SER A 86 5.586 13.487 3.415 1.00 1.27 H new ATOM 1390 N SER A 87 7.877 15.387 2.116 1.00 0.75 N ATOM 1391 CA SER A 87 8.744 16.329 2.794 1.00 0.90 C ATOM 1392 C SER A 87 9.349 15.679 4.034 1.00 0.79 C ATOM 1393 O SER A 87 10.278 16.211 4.642 1.00 0.89 O ATOM 1394 CB SER A 87 7.955 17.579 3.175 1.00 1.12 C ATOM 1395 OG SER A 87 7.285 18.115 2.046 1.00 1.70 O ATOM 0 H SER A 87 6.883 15.506 2.313 1.00 0.75 H new ATOM 0 HA SER A 87 9.554 16.619 2.124 1.00 0.90 H new ATOM 0 HB2 SER A 87 7.230 17.334 3.951 1.00 1.12 H new ATOM 0 HB3 SER A 87 8.629 18.327 3.592 1.00 1.12 H new ATOM 0 HG SER A 87 6.784 18.914 2.312 1.00 1.70 H new ATOM 1401 N ARG A 88 8.815 14.519 4.409 1.00 0.64 N ATOM 1402 CA ARG A 88 9.319 13.797 5.564 1.00 0.58 C ATOM 1403 C ARG A 88 9.312 12.293 5.302 1.00 0.49 C ATOM 1404 O ARG A 88 8.319 11.737 4.817 1.00 0.46 O ATOM 1405 CB ARG A 88 8.499 14.123 6.822 1.00 0.66 C ATOM 1406 CG ARG A 88 7.037 13.693 6.762 1.00 0.75 C ATOM 1407 CD ARG A 88 6.191 14.634 5.923 1.00 1.11 C ATOM 1408 NE ARG A 88 6.216 16.010 6.416 1.00 1.51 N ATOM 1409 CZ ARG A 88 5.573 17.016 5.828 1.00 1.84 C ATOM 1410 NH1 ARG A 88 4.782 16.777 4.786 1.00 1.95 N ATOM 1411 NH2 ARG A 88 5.704 18.254 6.294 1.00 2.59 N ATOM 0 H ARG A 88 8.038 14.065 3.930 1.00 0.64 H new ATOM 0 HA ARG A 88 10.347 14.117 5.736 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.969 13.642 7.680 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.540 15.198 6.997 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.974 12.686 6.349 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.632 13.649 7.773 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.548 14.615 4.893 1.00 1.11 H new ATOM 0 HD3 ARG A 88 5.162 14.276 5.910 1.00 1.11 H new ATOM 0 HE ARG A 88 6.756 16.210 7.258 1.00 1.51 H new ATOM 0 HH11 ARG A 88 4.669 15.824 4.439 1.00 1.95 H new ATOM 0 HH12 ARG A 88 4.288 17.546 4.334 1.00 1.95 H new ATOM 0 HH21 ARG A 88 6.298 18.434 7.103 1.00 2.59 H new ATOM 0 HH22 ARG A 88 5.211 19.024 5.842 1.00 2.59 H new ATOM 1425 N PRO A 89 10.443 11.630 5.588 1.00 0.49 N ATOM 1426 CA PRO A 89 10.577 10.177 5.465 1.00 0.48 C ATOM 1427 C PRO A 89 9.486 9.440 6.232 1.00 0.48 C ATOM 1428 O PRO A 89 9.227 9.735 7.400 1.00 0.62 O ATOM 1429 CB PRO A 89 11.954 9.894 6.073 1.00 0.58 C ATOM 1430 CG PRO A 89 12.709 11.161 5.889 1.00 0.70 C ATOM 1431 CD PRO A 89 11.696 12.259 6.044 1.00 0.56 C ATOM 0 HA PRO A 89 10.481 9.838 4.434 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.875 9.628 7.127 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.447 9.062 5.570 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.505 11.254 6.628 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.180 11.198 4.907 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.624 12.597 7.078 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.952 13.130 5.441 1.00 0.56 H new ATOM 1439 N GLY A 90 8.857 8.481 5.568 1.00 0.41 N ATOM 1440 CA GLY A 90 7.712 7.800 6.132 1.00 0.42 C ATOM 1441 C GLY A 90 6.481 8.037 5.289 1.00 0.38 C ATOM 1442 O GLY A 90 5.786 7.101 4.905 1.00 0.43 O ATOM 0 H GLY A 90 9.124 8.160 4.637 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.914 6.731 6.197 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.537 8.153 7.148 1.00 0.42 H new ATOM 1446 N GLN A 91 6.246 9.304 4.976 1.00 0.33 N ATOM 1447 CA GLN A 91 5.147 9.695 4.097 1.00 0.31 C ATOM 1448 C GLN A 91 5.625 9.600 2.658 1.00 0.26 C ATOM 1449 O GLN A 91 6.518 10.348 2.257 1.00 0.30 O ATOM 1450 CB GLN A 91 4.694 11.129 4.410 1.00 0.39 C ATOM 1451 CG GLN A 91 3.581 11.632 3.497 1.00 0.61 C ATOM 1452 CD GLN A 91 3.109 13.034 3.849 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.858 13.841 4.395 1.00 1.11 O ATOM 1454 NE2 GLN A 91 1.872 13.345 3.511 1.00 1.03 N ATOM 0 H GLN A 91 6.805 10.085 5.319 1.00 0.33 H new ATOM 0 HA GLN A 91 4.297 9.031 4.253 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.353 11.175 5.444 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.551 11.798 4.327 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.933 11.622 2.465 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.736 10.946 3.552 1.00 0.61 H new ATOM 0 HE21 GLN A 91 1.277 12.651 3.059 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.511 14.280 3.702 1.00 1.03 H new ATOM 1463 N PHE A 92 5.063 8.685 1.886 1.00 0.24 N ATOM 1464 CA PHE A 92 5.534 8.480 0.529 1.00 0.24 C ATOM 1465 C PHE A 92 4.532 8.983 -0.487 1.00 0.26 C ATOM 1466 O PHE A 92 3.320 8.844 -0.320 1.00 0.35 O ATOM 1467 CB PHE A 92 5.842 7.008 0.256 1.00 0.31 C ATOM 1468 CG PHE A 92 6.954 6.449 1.089 1.00 0.33 C ATOM 1469 CD1 PHE A 92 8.225 6.994 1.021 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.733 5.369 1.926 1.00 0.42 C ATOM 1471 CE1 PHE A 92 9.255 6.472 1.775 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.758 4.844 2.684 1.00 0.50 C ATOM 1473 CZ PHE A 92 9.020 5.398 2.607 1.00 0.48 C ATOM 0 H PHE A 92 4.292 8.081 2.171 1.00 0.24 H new ATOM 0 HA PHE A 92 6.455 9.054 0.429 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.941 6.421 0.432 1.00 0.31 H new ATOM 0 HB3 PHE A 92 6.098 6.891 -0.797 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.412 7.836 0.371 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.747 4.933 1.986 1.00 0.42 H new ATOM 0 HE1 PHE A 92 10.243 6.903 1.714 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.574 4.002 3.336 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.825 4.989 3.200 1.00 0.48 H new ATOM 1483 N THR A 93 5.067 9.576 -1.529 1.00 0.23 N ATOM 1484 CA THR A 93 4.297 10.029 -2.660 1.00 0.27 C ATOM 1485 C THR A 93 4.776 9.257 -3.889 1.00 0.26 C ATOM 1486 O THR A 93 5.692 8.439 -3.780 1.00 0.25 O ATOM 1487 CB THR A 93 4.463 11.556 -2.872 1.00 0.35 C ATOM 1488 OG1 THR A 93 5.819 11.872 -3.198 1.00 1.29 O ATOM 1489 CG2 THR A 93 4.077 12.338 -1.621 1.00 0.92 C ATOM 0 H THR A 93 6.067 9.759 -1.614 1.00 0.23 H new ATOM 0 HA THR A 93 3.237 9.845 -2.487 1.00 0.27 H new ATOM 0 HB THR A 93 3.802 11.838 -3.691 1.00 0.35 H new ATOM 0 HG1 THR A 93 6.422 11.324 -2.654 1.00 1.29 H new ATOM 0 HG21 THR A 93 4.205 13.405 -1.805 1.00 0.92 H new ATOM 0 HG22 THR A 93 3.035 12.135 -1.372 1.00 0.92 H new ATOM 0 HG23 THR A 93 4.714 12.034 -0.791 1.00 0.92 H new ATOM 1497 N LEU A 94 4.176 9.487 -5.046 1.00 0.34 N ATOM 1498 CA LEU A 94 4.618 8.802 -6.264 1.00 0.37 C ATOM 1499 C LEU A 94 5.615 9.668 -7.000 1.00 0.34 C ATOM 1500 O LEU A 94 5.483 10.889 -7.053 1.00 0.39 O ATOM 1501 CB LEU A 94 3.449 8.517 -7.220 1.00 0.54 C ATOM 1502 CG LEU A 94 2.574 7.313 -6.889 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.355 6.015 -7.046 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.006 7.446 -5.494 1.00 0.75 C ATOM 0 H LEU A 94 3.395 10.130 -5.174 1.00 0.34 H new ATOM 0 HA LEU A 94 5.064 7.856 -5.956 1.00 0.37 H new ATOM 0 HB2 LEU A 94 2.813 9.401 -7.253 1.00 0.54 H new ATOM 0 HB3 LEU A 94 3.855 8.378 -8.222 1.00 0.54 H new ATOM 0 HG LEU A 94 1.743 7.283 -7.593 1.00 0.50 H new ATOM 0 HD11 LEU A 94 2.710 5.171 -6.804 1.00 0.88 H new ATOM 0 HD12 LEU A 94 3.704 5.922 -8.074 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.211 6.022 -6.372 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.383 6.580 -5.271 1.00 0.75 H new ATOM 0 HD22 LEU A 94 2.821 7.502 -4.773 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.403 8.352 -5.431 1.00 0.75 H new ATOM 1516 N GLY A 95 6.622 9.001 -7.562 1.00 0.32 N ATOM 1517 CA GLY A 95 7.703 9.672 -8.261 1.00 0.34 C ATOM 1518 C GLY A 95 7.201 10.624 -9.329 1.00 0.46 C ATOM 1519 O GLY A 95 7.896 11.566 -9.706 1.00 0.88 O ATOM 0 H GLY A 95 6.706 7.985 -7.543 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.309 10.224 -7.542 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.353 8.927 -8.720 1.00 0.34 H new ATOM 1523 N ASN A 96 5.991 10.364 -9.817 1.00 0.57 N ATOM 1524 CA ASN A 96 5.337 11.240 -10.780 1.00 0.71 C ATOM 1525 C ASN A 96 3.887 11.514 -10.368 1.00 0.61 C ATOM 1526 O ASN A 96 3.017 11.651 -11.222 1.00 0.66 O ATOM 1527 CB ASN A 96 5.360 10.621 -12.185 1.00 0.98 C ATOM 1528 CG ASN A 96 6.763 10.347 -12.696 1.00 1.89 C ATOM 1529 OD1 ASN A 96 7.397 11.209 -13.308 1.00 2.72 O ATOM 1530 ND2 ASN A 96 7.253 9.137 -12.465 1.00 2.42 N ATOM 0 H ASN A 96 5.441 9.545 -9.557 1.00 0.57 H new ATOM 0 HA ASN A 96 5.887 12.181 -10.797 1.00 0.71 H new ATOM 0 HB2 ASN A 96 4.796 9.688 -12.173 1.00 0.98 H new ATOM 0 HB3 ASN A 96 4.852 11.291 -12.879 1.00 0.98 H new ATOM 0 HD21 ASN A 96 8.186 8.892 -12.798 1.00 2.42 H new ATOM 0 HD22 ASN A 96 6.697 8.451 -11.955 1.00 2.42 H new ATOM 1537 N ILE A 97 3.627 11.594 -9.061 1.00 0.55 N ATOM 1538 CA ILE A 97 2.265 11.829 -8.567 1.00 0.57 C ATOM 1539 C ILE A 97 1.871 13.294 -8.739 1.00 0.74 C ATOM 1540 O ILE A 97 0.703 13.622 -8.947 1.00 0.88 O ATOM 1541 CB ILE A 97 2.099 11.461 -7.063 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.622 11.521 -6.658 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.936 12.382 -6.175 1.00 0.60 C ATOM 1544 CD1 ILE A 97 -0.179 10.339 -7.153 1.00 1.20 C ATOM 0 H ILE A 97 4.333 11.501 -8.331 1.00 0.55 H new ATOM 0 HA ILE A 97 1.618 11.182 -9.160 1.00 0.57 H new ATOM 0 HB ILE A 97 2.459 10.442 -6.923 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.552 11.570 -5.571 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.182 12.439 -7.048 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.801 12.102 -5.130 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.988 12.287 -6.443 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.617 13.414 -6.318 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -1.216 10.442 -6.833 1.00 1.20 H new ATOM 0 HD12 ILE A 97 -0.138 10.302 -8.242 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.238 9.419 -6.742 1.00 1.20 H new ATOM 1556 N HIS A 98 2.863 14.168 -8.680 1.00 0.85 N ATOM 1557 CA HIS A 98 2.621 15.594 -8.550 1.00 1.12 C ATOM 1558 C HIS A 98 2.327 16.240 -9.904 1.00 1.14 C ATOM 1559 O HIS A 98 2.161 17.457 -10.005 1.00 1.38 O ATOM 1560 CB HIS A 98 3.833 16.230 -7.866 1.00 1.38 C ATOM 1561 CG HIS A 98 3.623 17.638 -7.399 1.00 2.01 C ATOM 1562 ND1 HIS A 98 4.458 18.677 -7.747 1.00 2.88 N ATOM 1563 CD2 HIS A 98 2.682 18.173 -6.584 1.00 2.69 C ATOM 1564 CE1 HIS A 98 4.042 19.787 -7.166 1.00 3.63 C ATOM 1565 NE2 HIS A 98 2.967 19.509 -6.454 1.00 3.56 N ATOM 0 H HIS A 98 3.849 13.911 -8.720 1.00 0.85 H new ATOM 0 HA HIS A 98 1.734 15.760 -7.939 1.00 1.12 H new ATOM 0 HB2 HIS A 98 4.113 15.616 -7.010 1.00 1.38 H new ATOM 0 HB3 HIS A 98 4.674 16.213 -8.559 1.00 1.38 H new ATOM 0 HD2 HIS A 98 1.860 17.646 -6.122 1.00 2.69 H new ATOM 0 HE1 HIS A 98 4.504 20.759 -7.258 1.00 3.63 H new ATOM 0 HE2 HIS A 98 2.435 20.178 -5.898 1.00 3.56 H new ATOM 1574 N SER A 99 2.251 15.421 -10.943 1.00 0.99 N ATOM 1575 CA SER A 99 1.880 15.900 -12.263 1.00 1.16 C ATOM 1576 C SER A 99 0.414 15.590 -12.565 1.00 1.22 C ATOM 1577 O SER A 99 -0.125 16.015 -13.588 1.00 1.30 O ATOM 1578 CB SER A 99 2.794 15.275 -13.315 1.00 1.24 C ATOM 1579 OG SER A 99 2.912 13.874 -13.121 1.00 1.79 O ATOM 0 H SER A 99 2.442 14.420 -10.895 1.00 0.99 H new ATOM 0 HA SER A 99 2.001 16.983 -12.289 1.00 1.16 H new ATOM 0 HB2 SER A 99 2.398 15.475 -14.311 1.00 1.24 H new ATOM 0 HB3 SER A 99 3.780 15.737 -13.265 1.00 1.24 H new ATOM 0 HG SER A 99 3.501 13.497 -13.808 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.230 14.854 -11.666 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.638 14.517 -11.824 1.00 1.30 C ATOM 1587 C TYR A 100 -2.521 15.652 -11.309 1.00 1.17 C ATOM 1588 O TYR A 100 -2.348 16.139 -10.193 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.972 13.215 -11.107 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.276 11.989 -11.666 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -1.629 11.472 -12.909 1.00 3.75 C ATOM 1592 CD2 TYR A 100 -0.279 11.342 -10.949 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -1.005 10.346 -13.418 1.00 4.83 C ATOM 1594 CE2 TYR A 100 0.348 10.216 -11.450 1.00 3.91 C ATOM 1595 CZ TYR A 100 -0.016 9.724 -12.683 1.00 4.89 C ATOM 1596 OH TYR A 100 0.609 8.599 -13.180 1.00 5.98 O ATOM 0 H TYR A 100 0.201 14.480 -10.821 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.835 14.378 -12.887 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.709 13.318 -10.054 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -3.050 13.057 -11.152 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -2.402 11.957 -13.486 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.012 11.725 -9.982 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -1.290 9.957 -14.384 1.00 4.83 H new ATOM 0 HE2 TYR A 100 1.120 9.725 -10.876 1.00 3.91 H new ATOM 0 HH TYR A 100 1.281 8.287 -12.538 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.479 16.082 -12.140 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.319 17.256 -11.872 1.00 1.04 C ATOM 1608 C PRO A 101 -5.449 16.989 -10.878 1.00 0.89 C ATOM 1609 O PRO A 101 -5.745 17.819 -10.015 1.00 0.94 O ATOM 1610 CB PRO A 101 -4.890 17.581 -13.251 1.00 1.19 C ATOM 1611 CG PRO A 101 -4.963 16.263 -13.951 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.828 15.428 -13.412 1.00 1.21 C ATOM 0 HA PRO A 101 -3.747 18.062 -11.412 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -5.874 18.043 -13.173 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.251 18.281 -13.790 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -5.922 15.779 -13.767 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -4.872 16.391 -15.030 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.132 14.393 -13.258 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.982 15.413 -14.099 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.084 15.833 -11.013 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.244 15.487 -10.200 1.00 0.74 C ATOM 1622 C GLN A 102 -6.821 15.003 -8.822 1.00 0.63 C ATOM 1623 O GLN A 102 -7.577 15.101 -7.853 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.055 14.398 -10.899 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.257 13.916 -10.104 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.007 12.818 -10.828 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -9.605 11.576 -10.611 1.00 1.95 O flip ATOM 1628 NE2 GLN A 102 -10.931 13.089 -11.592 1.00 1.73 N flip ATOM 0 H GLN A 102 -5.813 15.113 -11.683 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.855 16.381 -10.077 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.397 14.776 -11.862 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.403 13.549 -11.103 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.927 13.550 -9.132 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -9.929 14.754 -9.918 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -11.210 14.060 -11.731 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.419 12.343 -12.087 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.616 14.479 -8.743 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.112 13.918 -7.510 1.00 0.51 C ATOM 1639 C ILE A 103 -4.844 15.032 -6.504 1.00 0.52 C ATOM 1640 O ILE A 103 -3.904 15.812 -6.645 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.833 13.062 -7.751 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.171 11.777 -8.532 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.152 12.704 -6.430 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.698 12.000 -9.941 1.00 1.10 C ATOM 0 H ILE A 103 -4.964 14.430 -9.526 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.871 13.251 -7.102 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.144 13.663 -8.344 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.275 11.159 -8.589 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.913 11.212 -7.968 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.262 12.106 -6.629 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.866 13.618 -5.909 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.841 12.132 -5.809 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.906 11.037 -10.408 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.615 12.588 -9.898 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.951 12.534 -10.528 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.718 15.099 -5.509 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.655 16.103 -4.455 1.00 0.48 C ATOM 1658 C GLN A 104 -4.351 15.944 -3.699 1.00 0.50 C ATOM 1659 O GLN A 104 -3.700 16.921 -3.325 1.00 0.63 O ATOM 1660 CB GLN A 104 -6.844 15.902 -3.513 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.118 15.546 -4.256 1.00 0.43 C ATOM 1662 CD GLN A 104 -8.783 16.752 -4.885 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.632 17.392 -4.273 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.409 17.068 -6.111 1.00 0.98 N ATOM 0 H GLN A 104 -6.499 14.451 -5.410 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.698 17.106 -4.879 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.610 15.111 -2.800 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.005 16.813 -2.937 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -7.889 14.816 -5.032 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.815 15.070 -3.566 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -7.699 16.511 -6.587 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -8.830 17.869 -6.582 1.00 0.98 H new ATOM 1673 N SER A 105 -4.005 14.687 -3.475 1.00 0.40 N ATOM 1674 CA SER A 105 -2.729 14.300 -2.929 1.00 0.41 C ATOM 1675 C SER A 105 -2.687 12.790 -2.839 1.00 0.36 C ATOM 1676 O SER A 105 -3.736 12.139 -2.746 1.00 0.39 O ATOM 1677 CB SER A 105 -2.493 14.918 -1.547 1.00 0.48 C ATOM 1678 OG SER A 105 -3.391 14.396 -0.581 1.00 1.13 O ATOM 0 H SER A 105 -4.620 13.898 -3.674 1.00 0.40 H new ATOM 0 HA SER A 105 -1.938 14.666 -3.584 1.00 0.41 H new ATOM 0 HB2 SER A 105 -1.467 14.726 -1.232 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.611 16.000 -1.607 1.00 0.48 H new ATOM 0 HG SER A 105 -2.893 13.865 0.075 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.503 12.227 -2.920 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.341 10.814 -2.685 1.00 0.34 C ATOM 1686 C TYR A 106 -0.280 10.621 -1.622 1.00 0.36 C ATOM 1687 O TYR A 106 0.908 10.844 -1.862 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.976 10.068 -3.972 1.00 0.37 C ATOM 1689 CG TYR A 106 -1.114 8.575 -3.822 1.00 0.38 C ATOM 1690 CD1 TYR A 106 -0.103 7.829 -3.235 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -2.268 7.920 -4.224 1.00 0.39 C ATOM 1692 CE1 TYR A 106 -0.234 6.465 -3.055 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -2.408 6.558 -4.057 1.00 0.43 C ATOM 1694 CZ TYR A 106 -1.391 5.832 -3.471 1.00 0.46 C ATOM 1695 OH TYR A 106 -1.537 4.472 -3.306 1.00 0.52 O ATOM 0 H TYR A 106 -0.642 12.725 -3.146 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.287 10.396 -2.340 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.618 10.411 -4.783 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.049 10.310 -4.252 1.00 0.37 H new ATOM 0 HD1 TYR A 106 0.802 8.322 -2.913 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -3.070 8.485 -4.675 1.00 0.39 H new ATOM 0 HE1 TYR A 106 0.561 5.898 -2.593 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -3.310 6.062 -4.384 1.00 0.43 H new ATOM 0 HH TYR A 106 -2.410 4.192 -3.652 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.718 10.203 -0.450 1.00 0.34 N ATOM 1706 CA ASP A 107 0.149 10.142 0.713 1.00 0.36 C ATOM 1707 C ASP A 107 0.053 8.779 1.358 1.00 0.38 C ATOM 1708 O ASP A 107 -1.041 8.298 1.632 1.00 0.46 O ATOM 1709 CB ASP A 107 -0.267 11.193 1.745 1.00 0.48 C ATOM 1710 CG ASP A 107 -0.383 12.594 1.174 1.00 1.27 C ATOM 1711 OD1 ASP A 107 0.667 13.251 0.983 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -1.514 13.032 0.888 1.00 1.31 O ATOM 0 H ASP A 107 -1.676 9.898 -0.277 1.00 0.34 H new ATOM 0 HA ASP A 107 1.171 10.332 0.384 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -1.225 10.906 2.177 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.460 11.200 2.557 1.00 0.48 H new ATOM 1717 N VAL A 108 1.179 8.145 1.602 1.00 0.38 N ATOM 1718 CA VAL A 108 1.166 6.895 2.336 1.00 0.44 C ATOM 1719 C VAL A 108 2.070 6.983 3.560 1.00 0.47 C ATOM 1720 O VAL A 108 3.166 7.533 3.498 1.00 0.58 O ATOM 1721 CB VAL A 108 1.561 5.680 1.459 1.00 0.48 C ATOM 1722 CG1 VAL A 108 0.773 5.684 0.163 1.00 0.68 C ATOM 1723 CG2 VAL A 108 3.047 5.646 1.171 1.00 0.70 C ATOM 0 H VAL A 108 2.102 8.466 1.309 1.00 0.38 H new ATOM 0 HA VAL A 108 0.138 6.732 2.659 1.00 0.44 H new ATOM 0 HB VAL A 108 1.317 4.780 2.023 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.062 4.824 -0.441 1.00 0.68 H new ATOM 0 HG12 VAL A 108 -0.293 5.629 0.385 1.00 0.68 H new ATOM 0 HG13 VAL A 108 0.982 6.601 -0.387 1.00 0.68 H new ATOM 0 HG21 VAL A 108 3.278 4.778 0.554 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.336 6.554 0.643 1.00 0.70 H new ATOM 0 HG23 VAL A 108 3.598 5.581 2.109 1.00 0.70 H new ATOM 1733 N GLN A 109 1.576 6.479 4.673 1.00 0.44 N ATOM 1734 CA GLN A 109 2.337 6.432 5.914 1.00 0.50 C ATOM 1735 C GLN A 109 2.461 5.002 6.372 1.00 0.30 C ATOM 1736 O GLN A 109 1.573 4.194 6.125 1.00 0.29 O ATOM 1737 CB GLN A 109 1.637 7.202 7.025 1.00 0.85 C ATOM 1738 CG GLN A 109 2.209 8.566 7.343 1.00 0.92 C ATOM 1739 CD GLN A 109 3.713 8.563 7.485 1.00 2.08 C ATOM 1740 OE1 GLN A 109 4.323 7.549 7.816 1.00 2.86 O ATOM 1741 NE2 GLN A 109 4.319 9.716 7.274 1.00 2.81 N ATOM 0 H GLN A 109 0.636 6.089 4.747 1.00 0.44 H new ATOM 0 HA GLN A 109 3.312 6.877 5.717 1.00 0.50 H new ATOM 0 HB2 GLN A 109 0.589 7.323 6.752 1.00 0.85 H new ATOM 0 HB3 GLN A 109 1.663 6.598 7.932 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.926 9.264 6.555 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.764 8.933 8.268 1.00 0.92 H new ATOM 0 HE21 GLN A 109 3.776 10.535 7.000 1.00 2.81 H new ATOM 0 HE22 GLN A 109 5.330 9.788 7.385 1.00 2.81 H new ATOM 1750 N VAL A 110 3.528 4.685 7.061 1.00 0.33 N ATOM 1751 CA VAL A 110 3.654 3.363 7.623 1.00 0.27 C ATOM 1752 C VAL A 110 3.465 3.428 9.135 1.00 0.30 C ATOM 1753 O VAL A 110 4.076 4.251 9.817 1.00 0.41 O ATOM 1754 CB VAL A 110 5.012 2.718 7.265 1.00 0.37 C ATOM 1755 CG1 VAL A 110 5.651 2.047 8.464 1.00 0.76 C ATOM 1756 CG2 VAL A 110 4.830 1.695 6.166 1.00 0.77 C ATOM 0 H VAL A 110 4.311 5.312 7.245 1.00 0.33 H new ATOM 0 HA VAL A 110 2.877 2.732 7.192 1.00 0.27 H new ATOM 0 HB VAL A 110 5.670 3.518 6.927 1.00 0.37 H new ATOM 0 HG11 VAL A 110 6.603 1.606 8.170 1.00 0.76 H new ATOM 0 HG12 VAL A 110 5.820 2.786 9.247 1.00 0.76 H new ATOM 0 HG13 VAL A 110 4.990 1.265 8.839 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.794 1.247 5.922 1.00 0.77 H new ATOM 0 HG22 VAL A 110 4.144 0.918 6.502 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.422 2.181 5.280 1.00 0.77 H new ATOM 1766 N ALA A 111 2.594 2.570 9.648 1.00 0.29 N ATOM 1767 CA ALA A 111 2.377 2.480 11.079 1.00 0.36 C ATOM 1768 C ALA A 111 3.608 1.880 11.737 1.00 0.37 C ATOM 1769 O ALA A 111 4.172 2.452 12.666 1.00 0.44 O ATOM 1770 CB ALA A 111 1.139 1.648 11.386 1.00 0.42 C ATOM 0 H ALA A 111 2.028 1.928 9.092 1.00 0.29 H new ATOM 0 HA ALA A 111 2.210 3.480 11.479 1.00 0.36 H new ATOM 0 HB1 ALA A 111 0.995 1.594 12.465 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.266 2.112 10.927 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.268 0.642 10.986 1.00 0.42 H new ATOM 1776 N ASP A 112 4.028 0.727 11.230 1.00 0.35 N ATOM 1777 CA ASP A 112 5.244 0.075 11.709 1.00 0.46 C ATOM 1778 C ASP A 112 5.932 -0.648 10.559 1.00 0.37 C ATOM 1779 O ASP A 112 5.328 -1.512 9.928 1.00 0.35 O ATOM 1780 CB ASP A 112 4.933 -0.932 12.828 1.00 0.67 C ATOM 1781 CG ASP A 112 4.401 -0.284 14.095 1.00 1.36 C ATOM 1782 OD1 ASP A 112 5.203 0.288 14.862 1.00 2.20 O ATOM 1783 OD2 ASP A 112 3.176 -0.364 14.339 1.00 1.88 O ATOM 0 H ASP A 112 3.545 0.223 10.487 1.00 0.35 H new ATOM 0 HA ASP A 112 5.902 0.846 12.110 1.00 0.46 H new ATOM 0 HB2 ASP A 112 4.202 -1.654 12.464 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.839 -1.489 13.067 1.00 0.67 H new ATOM 1788 N THR A 113 7.170 -0.265 10.251 1.00 0.37 N ATOM 1789 CA THR A 113 7.945 -0.957 9.228 1.00 0.36 C ATOM 1790 C THR A 113 9.280 -1.447 9.788 1.00 0.44 C ATOM 1791 O THR A 113 9.917 -0.765 10.594 1.00 0.55 O ATOM 1792 CB THR A 113 8.214 -0.052 8.007 1.00 0.37 C ATOM 1793 OG1 THR A 113 8.878 -0.795 6.978 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.065 1.155 8.390 1.00 0.51 C ATOM 0 H THR A 113 7.654 0.516 10.693 1.00 0.37 H new ATOM 0 HA THR A 113 7.349 -1.812 8.908 1.00 0.36 H new ATOM 0 HB THR A 113 7.252 0.305 7.639 1.00 0.37 H new ATOM 0 HG1 THR A 113 8.829 -0.300 6.134 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.237 1.773 7.509 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.545 1.741 9.148 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.021 0.815 8.787 1.00 0.51 H new ATOM 1802 N ASP A 114 9.680 -2.637 9.375 1.00 0.43 N ATOM 1803 CA ASP A 114 10.985 -3.181 9.729 1.00 0.57 C ATOM 1804 C ASP A 114 11.551 -3.935 8.533 1.00 0.64 C ATOM 1805 O ASP A 114 10.812 -4.306 7.623 1.00 0.61 O ATOM 1806 CB ASP A 114 10.866 -4.098 10.950 1.00 0.60 C ATOM 1807 CG ASP A 114 12.194 -4.688 11.394 1.00 1.24 C ATOM 1808 OD1 ASP A 114 12.934 -4.010 12.129 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.495 -5.844 11.021 1.00 2.10 O ATOM 0 H ASP A 114 9.116 -3.252 8.789 1.00 0.43 H new ATOM 0 HA ASP A 114 11.663 -2.368 9.990 1.00 0.57 H new ATOM 0 HB2 ASP A 114 10.432 -3.535 11.777 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.175 -4.909 10.720 1.00 0.60 H new ATOM 1814 N TYR A 115 12.858 -4.145 8.540 1.00 0.84 N ATOM 1815 CA TYR A 115 13.558 -4.792 7.434 1.00 0.99 C ATOM 1816 C TYR A 115 13.265 -6.294 7.378 1.00 0.90 C ATOM 1817 O TYR A 115 13.373 -6.914 6.322 1.00 1.07 O ATOM 1818 CB TYR A 115 15.068 -4.556 7.572 1.00 1.25 C ATOM 1819 CG TYR A 115 15.609 -4.907 8.943 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.537 -3.997 9.989 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.174 -6.150 9.193 1.00 1.67 C ATOM 1822 CE1 TYR A 115 16.008 -4.315 11.244 1.00 2.16 C ATOM 1823 CE2 TYR A 115 16.652 -6.474 10.448 1.00 2.05 C ATOM 1824 CZ TYR A 115 16.564 -5.553 11.469 1.00 2.26 C ATOM 1825 OH TYR A 115 17.025 -5.875 12.725 1.00 2.75 O ATOM 0 H TYR A 115 13.467 -3.873 9.312 1.00 0.84 H new ATOM 0 HA TYR A 115 13.199 -4.352 6.504 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.591 -5.148 6.821 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.285 -3.509 7.361 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.104 -3.023 9.816 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.241 -6.874 8.395 1.00 1.67 H new ATOM 0 HE1 TYR A 115 15.941 -3.596 12.047 1.00 2.16 H new ATOM 0 HE2 TYR A 115 17.092 -7.444 10.628 1.00 2.05 H new ATOM 0 HH TYR A 115 17.387 -6.786 12.717 1.00 2.75 H new ATOM 1835 N ASP A 116 12.912 -6.871 8.519 1.00 0.77 N ATOM 1836 CA ASP A 116 12.631 -8.304 8.603 1.00 0.74 C ATOM 1837 C ASP A 116 11.214 -8.538 9.120 1.00 0.64 C ATOM 1838 O ASP A 116 10.528 -9.477 8.714 1.00 0.66 O ATOM 1839 CB ASP A 116 13.656 -8.982 9.518 1.00 0.82 C ATOM 1840 CG ASP A 116 13.340 -10.437 9.778 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.613 -11.269 8.888 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.816 -10.753 10.868 1.00 1.40 O ATOM 0 H ASP A 116 12.812 -6.371 9.402 1.00 0.77 H new ATOM 0 HA ASP A 116 12.707 -8.739 7.607 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.645 -8.905 9.067 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.697 -8.449 10.468 1.00 0.82 H new ATOM 1847 N GLN A 117 10.794 -7.662 10.018 1.00 0.59 N ATOM 1848 CA GLN A 117 9.441 -7.659 10.555 1.00 0.50 C ATOM 1849 C GLN A 117 8.454 -7.200 9.477 1.00 0.37 C ATOM 1850 O GLN A 117 8.846 -6.869 8.358 1.00 0.39 O ATOM 1851 CB GLN A 117 9.349 -6.760 11.791 1.00 0.56 C ATOM 1852 CG GLN A 117 8.143 -7.040 12.676 1.00 1.22 C ATOM 1853 CD GLN A 117 8.298 -8.311 13.490 1.00 1.68 C ATOM 1854 OE1 GLN A 117 8.808 -8.279 14.606 1.00 2.16 O ATOM 1855 NE2 GLN A 117 7.857 -9.435 12.945 1.00 2.51 N ATOM 0 H GLN A 117 11.388 -6.925 10.399 1.00 0.59 H new ATOM 0 HA GLN A 117 9.183 -8.673 10.859 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.256 -6.881 12.383 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.315 -5.719 11.468 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.989 -6.198 13.350 1.00 1.22 H new ATOM 0 HG3 GLN A 117 7.251 -7.118 12.054 1.00 1.22 H new ATOM 0 HE21 GLN A 117 7.439 -9.421 12.015 1.00 2.51 H new ATOM 0 HE22 GLN A 117 7.936 -10.314 13.456 1.00 2.51 H new ATOM 1864 N PHE A 118 7.179 -7.177 9.818 1.00 0.30 N ATOM 1865 CA PHE A 118 6.123 -6.943 8.850 1.00 0.25 C ATOM 1866 C PHE A 118 5.706 -5.473 8.927 1.00 0.26 C ATOM 1867 O PHE A 118 5.845 -4.845 9.978 1.00 0.40 O ATOM 1868 CB PHE A 118 4.937 -7.846 9.206 1.00 0.31 C ATOM 1869 CG PHE A 118 4.055 -7.277 10.286 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.502 -7.174 11.598 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.786 -6.824 9.981 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.695 -6.635 12.579 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.974 -6.279 10.959 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.429 -6.185 12.259 1.00 0.42 C ATOM 0 H PHE A 118 6.846 -7.320 10.772 1.00 0.30 H new ATOM 0 HA PHE A 118 6.463 -7.167 7.839 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.339 -8.017 8.311 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.313 -8.817 9.528 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.493 -7.520 11.853 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.424 -6.896 8.966 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.053 -6.565 13.596 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.985 -5.927 10.706 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.796 -5.760 13.024 1.00 0.42 H new ATOM 1884 N ALA A 119 5.223 -4.917 7.824 1.00 0.23 N ATOM 1885 CA ALA A 119 4.926 -3.494 7.776 1.00 0.23 C ATOM 1886 C ALA A 119 3.466 -3.221 7.445 1.00 0.21 C ATOM 1887 O ALA A 119 2.882 -3.844 6.557 1.00 0.28 O ATOM 1888 CB ALA A 119 5.838 -2.782 6.782 1.00 0.25 C ATOM 0 H ALA A 119 5.031 -5.424 6.960 1.00 0.23 H new ATOM 0 HA ALA A 119 5.114 -3.098 8.774 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.597 -1.719 6.764 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.877 -2.913 7.083 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.692 -3.204 5.788 1.00 0.25 H new ATOM 1894 N MET A 120 2.889 -2.282 8.176 1.00 0.19 N ATOM 1895 CA MET A 120 1.514 -1.848 7.957 1.00 0.21 C ATOM 1896 C MET A 120 1.508 -0.444 7.367 1.00 0.22 C ATOM 1897 O MET A 120 2.069 0.475 7.963 1.00 0.25 O ATOM 1898 CB MET A 120 0.747 -1.859 9.281 1.00 0.27 C ATOM 1899 CG MET A 120 0.374 -3.251 9.768 1.00 0.48 C ATOM 1900 SD MET A 120 -0.647 -3.212 11.258 1.00 0.63 S ATOM 1901 CE MET A 120 0.442 -2.363 12.400 1.00 1.47 C ATOM 0 H MET A 120 3.359 -1.797 8.940 1.00 0.19 H new ATOM 0 HA MET A 120 1.029 -2.532 7.261 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.352 -1.368 10.044 1.00 0.27 H new ATOM 0 HB3 MET A 120 -0.163 -1.269 9.167 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.162 -3.777 8.978 1.00 0.48 H new ATOM 0 HG3 MET A 120 1.283 -3.818 9.969 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.106 -2.539 13.422 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.458 -2.740 12.282 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.425 -1.293 12.191 1.00 1.47 H new ATOM 1911 N VAL A 121 0.883 -0.268 6.207 1.00 0.25 N ATOM 1912 CA VAL A 121 0.940 1.017 5.516 1.00 0.26 C ATOM 1913 C VAL A 121 -0.447 1.589 5.245 1.00 0.29 C ATOM 1914 O VAL A 121 -1.310 0.906 4.717 1.00 0.39 O ATOM 1915 CB VAL A 121 1.662 0.923 4.158 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.225 2.287 3.796 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.763 -0.124 4.176 1.00 0.28 C ATOM 0 H VAL A 121 0.338 -0.987 5.731 1.00 0.25 H new ATOM 0 HA VAL A 121 1.494 1.669 6.191 1.00 0.26 H new ATOM 0 HB VAL A 121 0.940 0.612 3.403 1.00 0.28 H new ATOM 0 HG11 VAL A 121 2.737 2.226 2.836 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.412 3.010 3.729 1.00 0.34 H new ATOM 0 HG13 VAL A 121 2.930 2.605 4.564 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.248 -0.159 3.200 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.499 0.135 4.937 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.334 -1.100 4.403 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.634 2.857 5.567 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.857 3.571 5.231 1.00 0.27 C ATOM 1929 C PHE A 122 -1.633 4.319 3.913 1.00 0.27 C ATOM 1930 O PHE A 122 -0.744 5.161 3.813 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.246 4.518 6.397 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.214 5.647 6.064 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.844 6.663 5.189 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.485 5.710 6.635 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.704 7.696 4.886 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.347 6.747 6.330 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.954 7.737 5.456 1.00 0.63 C ATOM 0 H PHE A 122 0.054 3.420 6.067 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.690 2.882 5.093 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.685 3.916 7.193 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.333 4.959 6.797 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.863 6.642 4.738 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.799 4.940 7.324 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.396 8.473 4.201 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.329 6.781 6.777 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.629 8.546 5.219 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.419 3.974 2.904 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.316 4.585 1.581 1.00 0.34 C ATOM 1949 C PHE A 123 -3.492 5.525 1.340 1.00 0.35 C ATOM 1950 O PHE A 123 -4.647 5.092 1.364 1.00 0.38 O ATOM 1951 CB PHE A 123 -2.322 3.509 0.489 1.00 0.37 C ATOM 1952 CG PHE A 123 -1.018 2.784 0.274 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.392 2.089 1.296 1.00 0.32 C ATOM 1954 CD2 PHE A 123 -0.439 2.772 -0.985 1.00 0.45 C ATOM 1955 CE1 PHE A 123 0.785 1.400 1.060 1.00 0.33 C ATOM 1956 CE2 PHE A 123 0.739 2.092 -1.221 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.352 1.404 -0.196 1.00 0.41 C ATOM 0 H PHE A 123 -3.147 3.263 2.976 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.380 5.142 1.542 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -3.088 2.774 0.734 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.616 3.975 -0.452 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.826 2.085 2.285 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.917 3.303 -1.795 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.261 0.857 1.863 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.179 2.099 -2.207 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.273 0.870 -0.377 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.203 6.793 1.096 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.243 7.780 0.819 1.00 0.39 C ATOM 1969 C GLN A 124 -4.264 8.140 -0.661 1.00 0.34 C ATOM 1970 O GLN A 124 -3.232 8.475 -1.246 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.023 9.053 1.645 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.037 10.150 1.353 1.00 0.67 C ATOM 1973 CD GLN A 124 -4.700 11.465 2.032 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -4.105 11.498 3.108 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -5.077 12.564 1.398 1.00 1.57 N ATOM 0 H GLN A 124 -2.254 7.167 1.083 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.199 7.336 1.095 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.067 8.801 2.705 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.021 9.434 1.450 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.094 10.308 0.276 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.024 9.821 1.679 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -5.569 12.496 0.507 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -4.876 13.479 1.800 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.441 8.059 -1.260 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.640 8.476 -2.636 1.00 0.38 C ATOM 1986 C LYS A 125 -6.769 9.494 -2.691 1.00 0.35 C ATOM 1987 O LYS A 125 -7.921 9.166 -2.420 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.998 7.266 -3.506 1.00 0.53 C ATOM 1989 CG LYS A 125 -6.353 7.617 -4.945 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.975 6.428 -5.667 1.00 1.06 C ATOM 1991 CE LYS A 125 -7.427 6.800 -7.073 1.00 1.36 C ATOM 1992 NZ LYS A 125 -8.156 5.687 -7.740 1.00 1.55 N ATOM 0 H LYS A 125 -6.282 7.703 -0.806 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.720 8.923 -3.013 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -5.157 6.573 -3.509 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.840 6.743 -3.053 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -7.048 8.456 -4.956 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -5.457 7.939 -5.475 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -6.251 5.615 -5.720 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -7.827 6.060 -5.096 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -8.071 7.678 -7.026 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -6.558 7.074 -7.672 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -8.445 5.984 -8.694 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.534 4.857 -7.809 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -9.000 5.442 -7.183 1.00 1.55 H new ATOM 2006 N THR A 126 -6.450 10.722 -3.044 1.00 0.31 N ATOM 2007 CA THR A 126 -7.470 11.748 -3.127 1.00 0.31 C ATOM 2008 C THR A 126 -7.612 12.241 -4.559 1.00 0.34 C ATOM 2009 O THR A 126 -6.614 12.506 -5.224 1.00 0.39 O ATOM 2010 CB THR A 126 -7.129 12.940 -2.220 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.006 12.616 -1.383 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.303 13.299 -1.335 1.00 0.47 C ATOM 0 H THR A 126 -5.506 11.032 -3.275 1.00 0.31 H new ATOM 0 HA THR A 126 -8.409 11.306 -2.796 1.00 0.31 H new ATOM 0 HB THR A 126 -6.888 13.789 -2.860 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.175 12.750 -1.884 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.036 14.146 -0.702 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.159 13.565 -1.956 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.561 12.445 -0.709 1.00 0.47 H new ATOM 2020 N SER A 127 -8.841 12.347 -5.041 1.00 0.37 N ATOM 2021 CA SER A 127 -9.094 12.871 -6.380 1.00 0.45 C ATOM 2022 C SER A 127 -10.487 13.487 -6.459 1.00 0.51 C ATOM 2023 O SER A 127 -11.464 12.817 -6.156 1.00 0.52 O ATOM 2024 CB SER A 127 -8.973 11.751 -7.416 1.00 0.54 C ATOM 2025 OG SER A 127 -7.680 11.171 -7.409 1.00 0.87 O ATOM 0 H SER A 127 -9.680 12.078 -4.527 1.00 0.37 H new ATOM 0 HA SER A 127 -8.353 13.641 -6.591 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.718 10.983 -7.210 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.189 12.147 -8.408 1.00 0.54 H new ATOM 0 HG SER A 127 -7.121 11.627 -6.746 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.569 14.757 -6.860 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.856 15.452 -6.999 1.00 0.74 C ATOM 2033 C GLU A 128 -12.603 15.467 -5.659 1.00 0.66 C ATOM 2034 O GLU A 128 -13.827 15.322 -5.603 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.706 14.768 -8.080 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.937 15.556 -8.500 1.00 1.26 C ATOM 2037 CD GLU A 128 -13.606 16.751 -9.366 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.105 17.764 -8.832 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -13.849 16.680 -10.589 1.00 2.13 O ATOM 0 H GLU A 128 -9.758 15.329 -7.096 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.669 16.483 -7.299 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -12.084 14.593 -8.958 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -13.022 13.791 -7.713 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.615 14.898 -9.043 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -14.466 15.895 -7.609 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.841 15.628 -4.580 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.363 15.574 -3.208 1.00 0.70 C ATOM 2048 C ASN A 129 -12.892 14.185 -2.849 1.00 0.59 C ATOM 2049 O ASN A 129 -13.341 13.959 -1.725 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.456 16.620 -2.976 1.00 0.91 C ATOM 2051 CG ASN A 129 -12.916 18.032 -2.829 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -11.728 18.172 -2.258 1.00 1.64 O flip ATOM 2053 ND2 ASN A 129 -13.574 18.998 -3.214 1.00 2.21 N flip ATOM 0 H ASN A 129 -10.837 15.801 -4.628 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.521 15.799 -2.554 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -14.158 16.592 -3.809 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.016 16.357 -2.078 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -14.485 18.854 -3.649 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -13.208 19.943 -3.098 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.837 13.257 -3.797 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.215 11.884 -3.539 1.00 0.49 C ATOM 2062 C LYS A 130 -12.043 11.199 -2.861 1.00 0.42 C ATOM 2063 O LYS A 130 -11.043 10.864 -3.500 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.577 11.162 -4.842 1.00 0.64 C ATOM 2065 CG LYS A 130 -14.479 11.965 -5.772 1.00 1.02 C ATOM 2066 CD LYS A 130 -15.867 12.179 -5.192 1.00 1.36 C ATOM 2067 CE LYS A 130 -16.644 10.879 -5.112 1.00 2.08 C ATOM 2068 NZ LYS A 130 -18.084 11.117 -4.842 1.00 2.80 N ATOM 0 H LYS A 130 -12.532 13.437 -4.753 1.00 0.45 H new ATOM 0 HA LYS A 130 -14.095 11.855 -2.897 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -12.658 10.911 -5.372 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.071 10.222 -4.598 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -14.019 12.933 -5.973 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -14.564 11.448 -6.728 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -15.783 12.615 -4.197 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.413 12.893 -5.808 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -16.535 10.331 -6.048 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -16.225 10.252 -4.325 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -18.551 10.213 -4.626 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -18.183 11.760 -4.031 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -18.528 11.545 -5.679 1.00 2.80 H new ATOM 2082 N GLN A 131 -12.153 11.048 -1.560 1.00 0.43 N ATOM 2083 CA GLN A 131 -11.077 10.510 -0.756 1.00 0.44 C ATOM 2084 C GLN A 131 -11.175 8.987 -0.656 1.00 0.48 C ATOM 2085 O GLN A 131 -12.158 8.459 -0.141 1.00 0.59 O ATOM 2086 CB GLN A 131 -11.160 11.130 0.635 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.606 12.540 0.694 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.885 13.229 2.014 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -12.030 12.928 2.608 1.00 1.11 O flip ATOM 2090 NE2 GLN A 131 -10.089 14.043 2.482 1.00 1.57 N flip ATOM 0 H GLN A 131 -12.989 11.294 -1.030 1.00 0.43 H new ATOM 0 HA GLN A 131 -10.122 10.751 -1.223 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -12.201 11.141 0.959 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -10.614 10.502 1.339 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.529 12.509 0.527 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.038 13.129 -0.116 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -9.218 14.245 1.991 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.300 14.516 3.361 1.00 1.57 H new ATOM 2099 N TYR A 132 -10.167 8.285 -1.145 1.00 0.45 N ATOM 2100 CA TYR A 132 -10.116 6.837 -1.010 1.00 0.50 C ATOM 2101 C TYR A 132 -8.848 6.456 -0.276 1.00 0.44 C ATOM 2102 O TYR A 132 -7.800 7.065 -0.478 1.00 0.51 O ATOM 2103 CB TYR A 132 -10.143 6.128 -2.372 1.00 0.57 C ATOM 2104 CG TYR A 132 -11.312 6.507 -3.258 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -11.323 7.708 -3.959 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -12.403 5.661 -3.395 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -12.388 8.054 -4.769 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -13.472 5.998 -4.204 1.00 1.01 C ATOM 2109 CZ TYR A 132 -13.461 7.196 -4.889 1.00 0.96 C ATOM 2110 OH TYR A 132 -14.529 7.535 -5.693 1.00 1.12 O ATOM 0 H TYR A 132 -9.373 8.693 -1.639 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.998 6.520 -0.454 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -9.216 6.350 -2.901 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -10.164 5.051 -2.206 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -10.484 8.382 -3.869 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -12.417 4.723 -2.860 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -12.380 8.991 -5.305 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -14.312 5.326 -4.300 1.00 1.01 H new ATOM 0 HH TYR A 132 -15.199 6.820 -5.666 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.931 5.458 0.574 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.772 5.038 1.331 1.00 0.30 C ATOM 2122 C PHE A 133 -7.821 3.550 1.614 1.00 0.25 C ATOM 2123 O PHE A 133 -8.875 2.911 1.506 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.669 5.815 2.648 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.649 5.366 3.690 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.007 5.537 3.496 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -8.212 4.767 4.856 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -10.911 5.124 4.449 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -9.112 4.350 5.814 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.457 4.544 5.625 1.00 1.95 C ATOM 0 H PHE A 133 -9.781 4.925 0.758 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.889 5.251 0.729 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.659 5.711 3.043 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.825 6.875 2.448 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.363 6.000 2.587 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -7.154 4.624 5.019 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -11.970 5.251 4.282 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -8.758 3.870 6.714 1.00 1.82 H new ATOM 0 HZ PHE A 133 -11.160 4.246 6.389 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.670 3.008 1.944 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.555 1.620 2.331 1.00 0.24 C ATOM 2142 C LYS A 134 -5.341 1.449 3.233 1.00 0.17 C ATOM 2143 O LYS A 134 -4.447 2.289 3.236 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.409 0.726 1.094 1.00 0.38 C ATOM 2145 CG LYS A 134 -5.055 0.833 0.419 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.897 -0.211 -0.670 1.00 0.76 C ATOM 2147 CE LYS A 134 -3.452 -0.314 -1.128 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.985 0.936 -1.784 1.00 1.30 N ATOM 0 H LYS A 134 -5.787 3.518 1.952 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.458 1.326 2.866 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.579 -0.311 1.384 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -7.185 0.987 0.375 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.938 1.829 -0.009 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -4.266 0.710 1.161 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -5.234 -1.180 -0.300 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -5.532 0.045 -1.518 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.815 -0.534 -0.271 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -3.350 -1.148 -1.823 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -2.600 0.712 -2.724 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.784 1.595 -1.885 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.244 1.377 -1.203 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.312 0.372 3.986 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.135 0.002 4.737 1.00 0.17 C ATOM 2164 C VAL A 135 -3.592 -1.309 4.166 1.00 0.20 C ATOM 2165 O VAL A 135 -4.360 -2.212 3.823 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.430 -0.118 6.258 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.118 -1.430 6.613 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.158 0.073 7.070 1.00 0.78 C ATOM 0 H VAL A 135 -6.099 -0.268 4.094 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.384 0.786 4.638 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.126 0.680 6.515 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.302 -1.465 7.687 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.066 -1.500 6.080 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.479 -2.265 6.327 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.388 -0.015 8.132 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.431 -0.690 6.792 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.743 1.061 6.869 1.00 0.78 H new ATOM 2178 N THR A 136 -2.286 -1.389 3.994 1.00 0.20 N ATOM 2179 CA THR A 136 -1.675 -2.551 3.379 1.00 0.22 C ATOM 2180 C THR A 136 -0.918 -3.370 4.411 1.00 0.24 C ATOM 2181 O THR A 136 -0.586 -2.877 5.493 1.00 0.47 O ATOM 2182 CB THR A 136 -0.684 -2.154 2.267 1.00 0.43 C ATOM 2183 OG1 THR A 136 0.504 -1.618 2.844 1.00 1.41 O ATOM 2184 CG2 THR A 136 -1.276 -1.114 1.340 1.00 0.65 C ATOM 0 H THR A 136 -1.627 -0.662 4.272 1.00 0.20 H new ATOM 0 HA THR A 136 -2.487 -3.137 2.948 1.00 0.22 H new ATOM 0 HB THR A 136 -0.460 -3.053 1.693 1.00 0.43 H new ATOM 0 HG1 THR A 136 1.256 -1.755 2.231 1.00 1.41 H new ATOM 0 HG21 THR A 136 -0.549 -0.858 0.569 1.00 0.65 H new ATOM 0 HG22 THR A 136 -2.176 -1.513 0.873 1.00 0.65 H new ATOM 0 HG23 THR A 136 -1.529 -0.220 1.910 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.645 -4.613 4.070 1.00 0.18 N ATOM 2193 CA LEU A 137 0.211 -5.452 4.880 1.00 0.21 C ATOM 2194 C LEU A 137 1.362 -5.954 4.019 1.00 0.17 C ATOM 2195 O LEU A 137 1.150 -6.739 3.092 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.597 -6.619 5.468 1.00 0.33 C ATOM 2197 CG LEU A 137 0.057 -7.388 6.626 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.249 -8.199 6.159 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.473 -6.433 7.730 1.00 0.68 C ATOM 0 H LEU A 137 -1.007 -5.066 3.231 1.00 0.18 H new ATOM 0 HA LEU A 137 0.617 -4.880 5.714 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.555 -6.231 5.814 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.810 -7.326 4.666 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.686 -8.083 7.017 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.684 -8.728 7.007 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.927 -8.920 5.408 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.995 -7.533 5.726 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.934 -6.995 8.542 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.188 -5.711 7.336 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.405 -5.907 8.106 1.00 0.68 H new ATOM 2211 N TYR A 138 2.565 -5.473 4.311 1.00 0.18 N ATOM 2212 CA TYR A 138 3.761 -5.905 3.599 1.00 0.26 C ATOM 2213 C TYR A 138 4.636 -6.756 4.508 1.00 0.20 C ATOM 2214 O TYR A 138 4.627 -6.588 5.728 1.00 0.25 O ATOM 2215 CB TYR A 138 4.572 -4.709 3.086 1.00 0.44 C ATOM 2216 CG TYR A 138 3.939 -3.973 1.928 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.511 -4.654 0.794 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.776 -2.595 1.966 1.00 0.54 C ATOM 2219 CE1 TYR A 138 2.937 -3.980 -0.267 1.00 2.04 C ATOM 2220 CE2 TYR A 138 3.204 -1.916 0.909 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.788 -2.612 -0.204 1.00 1.94 C ATOM 2222 OH TYR A 138 2.220 -1.934 -1.255 1.00 2.64 O ATOM 0 H TYR A 138 2.738 -4.780 5.040 1.00 0.18 H new ATOM 0 HA TYR A 138 3.438 -6.495 2.742 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.721 -4.008 3.907 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.559 -5.059 2.782 1.00 0.44 H new ATOM 0 HD1 TYR A 138 3.629 -5.726 0.742 1.00 1.36 H new ATOM 0 HD2 TYR A 138 4.102 -2.045 2.837 1.00 0.54 H new ATOM 0 HE1 TYR A 138 2.607 -4.523 -1.141 1.00 2.04 H new ATOM 0 HE2 TYR A 138 3.083 -0.844 0.955 1.00 1.18 H new ATOM 0 HH TYR A 138 1.982 -1.027 -0.969 1.00 2.64 H new ATOM 2232 N GLY A 139 5.380 -7.669 3.914 1.00 0.28 N ATOM 2233 CA GLY A 139 6.258 -8.521 4.682 1.00 0.29 C ATOM 2234 C GLY A 139 7.537 -8.838 3.939 1.00 0.33 C ATOM 2235 O GLY A 139 7.637 -8.578 2.738 1.00 0.45 O ATOM 0 H GLY A 139 5.392 -7.837 2.908 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.499 -8.034 5.627 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.741 -9.449 4.925 1.00 0.29 H new ATOM 2239 N ARG A 140 8.509 -9.404 4.652 1.00 0.37 N ATOM 2240 CA ARG A 140 9.780 -9.808 4.050 1.00 0.49 C ATOM 2241 C ARG A 140 9.570 -10.853 2.955 1.00 0.38 C ATOM 2242 O ARG A 140 10.280 -10.877 1.953 1.00 0.51 O ATOM 2243 CB ARG A 140 10.719 -10.379 5.122 1.00 0.78 C ATOM 2244 CG ARG A 140 10.146 -11.564 5.888 1.00 1.61 C ATOM 2245 CD ARG A 140 11.157 -12.152 6.863 1.00 1.91 C ATOM 2246 NE ARG A 140 10.747 -13.479 7.334 1.00 2.46 N ATOM 2247 CZ ARG A 140 11.302 -14.115 8.367 1.00 3.13 C ATOM 2248 NH1 ARG A 140 12.235 -13.527 9.103 1.00 3.38 N ATOM 2249 NH2 ARG A 140 10.910 -15.344 8.673 1.00 3.99 N ATOM 0 H ARG A 140 8.441 -9.594 5.652 1.00 0.37 H new ATOM 0 HA ARG A 140 10.229 -8.921 3.603 1.00 0.49 H new ATOM 0 HB2 ARG A 140 11.651 -10.685 4.647 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.967 -9.588 5.830 1.00 0.78 H new ATOM 0 HG2 ARG A 140 9.257 -11.248 6.434 1.00 1.61 H new ATOM 0 HG3 ARG A 140 9.831 -12.334 5.183 1.00 1.61 H new ATOM 0 HD2 ARG A 140 12.131 -12.222 6.379 1.00 1.91 H new ATOM 0 HD3 ARG A 140 11.272 -11.483 7.716 1.00 1.91 H new ATOM 0 HE ARG A 140 9.987 -13.946 6.839 1.00 2.46 H new ATOM 0 HH11 ARG A 140 12.536 -12.578 8.882 1.00 3.38 H new ATOM 0 HH12 ARG A 140 12.652 -14.024 9.890 1.00 3.38 H new ATOM 0 HH21 ARG A 140 10.186 -15.801 8.119 1.00 3.99 H new ATOM 0 HH22 ARG A 140 11.333 -15.832 9.462 1.00 3.99 H new ATOM 2263 N THR A 141 8.588 -11.711 3.168 1.00 0.40 N ATOM 2264 CA THR A 141 8.299 -12.807 2.259 1.00 0.58 C ATOM 2265 C THR A 141 6.904 -13.361 2.565 1.00 0.64 C ATOM 2266 O THR A 141 6.124 -12.700 3.252 1.00 1.14 O ATOM 2267 CB THR A 141 9.385 -13.911 2.374 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.117 -14.995 1.476 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.489 -14.436 3.800 1.00 0.94 C ATOM 0 H THR A 141 7.968 -11.668 3.977 1.00 0.40 H new ATOM 0 HA THR A 141 8.313 -12.443 1.232 1.00 0.58 H new ATOM 0 HB THR A 141 10.337 -13.457 2.100 1.00 0.85 H new ATOM 0 HG1 THR A 141 8.822 -14.639 0.612 1.00 1.13 H new ATOM 0 HG21 THR A 141 10.257 -15.208 3.849 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.753 -13.618 4.470 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.531 -14.859 4.103 1.00 0.94 H new ATOM 2277 N LYS A 142 6.587 -14.566 2.091 1.00 0.79 N ATOM 2278 CA LYS A 142 5.263 -15.151 2.314 1.00 0.87 C ATOM 2279 C LYS A 142 5.144 -15.683 3.745 1.00 0.84 C ATOM 2280 O LYS A 142 4.176 -16.358 4.096 1.00 1.09 O ATOM 2281 CB LYS A 142 4.989 -16.311 1.342 1.00 1.02 C ATOM 2282 CG LYS A 142 5.519 -16.128 -0.075 1.00 1.17 C ATOM 2283 CD LYS A 142 4.917 -14.928 -0.788 1.00 0.84 C ATOM 2284 CE LYS A 142 5.145 -15.019 -2.292 1.00 0.85 C ATOM 2285 NZ LYS A 142 6.545 -15.399 -2.620 1.00 1.57 N ATOM 0 H LYS A 142 7.224 -15.154 1.553 1.00 0.79 H new ATOM 0 HA LYS A 142 4.533 -14.360 2.145 1.00 0.87 H new ATOM 0 HB2 LYS A 142 5.425 -17.219 1.758 1.00 1.02 H new ATOM 0 HB3 LYS A 142 3.912 -16.469 1.289 1.00 1.02 H new ATOM 0 HG2 LYS A 142 6.603 -16.015 -0.039 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.311 -17.028 -0.653 1.00 1.17 H new ATOM 0 HD2 LYS A 142 3.848 -14.875 -0.581 1.00 0.84 H new ATOM 0 HD3 LYS A 142 5.362 -14.010 -0.403 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.461 -15.752 -2.719 1.00 0.85 H new ATOM 0 HE3 LYS A 142 4.912 -14.059 -2.753 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 6.736 -15.190 -3.621 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 7.201 -14.857 -2.022 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 6.678 -16.416 -2.447 1.00 1.57 H new ATOM 2299 N GLY A 143 6.121 -15.353 4.571 1.00 0.67 N ATOM 2300 CA GLY A 143 6.207 -15.932 5.891 1.00 0.70 C ATOM 2301 C GLY A 143 5.876 -14.940 6.977 1.00 0.62 C ATOM 2302 O GLY A 143 6.719 -14.614 7.811 1.00 0.74 O ATOM 0 H GLY A 143 6.862 -14.689 4.348 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.526 -16.780 5.958 1.00 0.70 H new ATOM 0 HA3 GLY A 143 7.214 -16.318 6.050 1.00 0.70 H new ATOM 2306 N LEU A 144 4.654 -14.445 6.955 1.00 0.52 N ATOM 2307 CA LEU A 144 4.180 -13.530 7.977 1.00 0.46 C ATOM 2308 C LEU A 144 3.078 -14.178 8.796 1.00 0.48 C ATOM 2309 O LEU A 144 2.122 -14.731 8.246 1.00 0.53 O ATOM 2310 CB LEU A 144 3.673 -12.231 7.356 1.00 0.43 C ATOM 2311 CG LEU A 144 4.744 -11.332 6.737 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.182 -9.938 6.511 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.982 -11.266 7.621 1.00 0.56 C ATOM 0 H LEU A 144 3.966 -14.663 6.235 1.00 0.52 H new ATOM 0 HA LEU A 144 5.018 -13.294 8.632 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.942 -12.478 6.586 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.147 -11.663 8.124 1.00 0.43 H new ATOM 0 HG LEU A 144 5.039 -11.759 5.778 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.950 -9.303 6.070 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.327 -9.995 5.837 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.865 -9.515 7.464 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.727 -10.620 7.156 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.711 -10.864 8.597 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.396 -12.267 7.743 1.00 0.56 H new ATOM 2325 N SER A 145 3.227 -14.086 10.111 1.00 0.51 N ATOM 2326 CA SER A 145 2.315 -14.688 11.065 1.00 0.56 C ATOM 2327 C SER A 145 0.872 -14.248 10.826 1.00 0.50 C ATOM 2328 O SER A 145 0.607 -13.165 10.294 1.00 0.49 O ATOM 2329 CB SER A 145 2.751 -14.276 12.467 1.00 0.65 C ATOM 2330 OG SER A 145 4.158 -14.366 12.605 1.00 1.43 O ATOM 0 H SER A 145 3.999 -13.582 10.548 1.00 0.51 H new ATOM 0 HA SER A 145 2.349 -15.771 10.948 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.426 -13.255 12.668 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.267 -14.916 13.205 1.00 0.65 H new ATOM 0 HG SER A 145 4.416 -14.096 13.511 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.056 -15.102 11.217 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.476 -14.796 11.122 1.00 0.51 C ATOM 2338 C ASP A 146 -1.826 -13.680 12.099 1.00 0.48 C ATOM 2339 O ASP A 146 -2.782 -12.932 11.899 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.299 -16.048 11.422 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.681 -15.998 10.807 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.771 -16.005 9.560 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -4.674 -15.995 11.559 1.00 2.08 O ATOM 0 H ASP A 146 0.149 -16.022 11.607 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.708 -14.463 10.110 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -1.770 -16.924 11.047 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -2.390 -16.168 12.502 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.009 -13.564 13.139 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.157 -12.515 14.139 1.00 0.53 C ATOM 2350 C GLU A 147 -0.996 -11.134 13.506 1.00 0.45 C ATOM 2351 O GLU A 147 -1.800 -10.233 13.747 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.117 -12.720 15.249 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.003 -11.571 16.247 1.00 0.72 C ATOM 2354 CD GLU A 147 -1.272 -11.330 17.037 1.00 1.25 C ATOM 2355 OE1 GLU A 147 -1.747 -12.264 17.717 1.00 1.48 O ATOM 2356 OE2 GLU A 147 -1.793 -10.195 16.991 1.00 1.99 O ATOM 0 H GLU A 147 -0.226 -14.194 13.312 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.158 -12.572 14.566 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.364 -13.631 15.794 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.858 -12.879 14.788 1.00 0.62 H new ATOM 0 HG2 GLU A 147 0.812 -11.781 16.939 1.00 0.72 H new ATOM 0 HG3 GLU A 147 0.261 -10.659 15.711 1.00 0.72 H new ATOM 2363 N LEU A 148 0.029 -10.978 12.671 1.00 0.41 N ATOM 2364 CA LEU A 148 0.353 -9.671 12.116 1.00 0.37 C ATOM 2365 C LEU A 148 -0.650 -9.239 11.047 1.00 0.31 C ATOM 2366 O LEU A 148 -0.919 -8.052 10.892 1.00 0.29 O ATOM 2367 CB LEU A 148 1.803 -9.635 11.585 1.00 0.37 C ATOM 2368 CG LEU A 148 2.178 -10.627 10.471 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.653 -10.171 9.115 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.689 -10.791 10.402 1.00 0.38 C ATOM 0 H LEU A 148 0.643 -11.734 12.368 1.00 0.41 H new ATOM 0 HA LEU A 148 0.280 -8.947 12.927 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.002 -8.628 11.219 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.474 -9.806 12.427 1.00 0.37 H new ATOM 0 HG LEU A 148 1.715 -11.584 10.712 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.937 -10.896 8.352 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.567 -10.091 9.154 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.079 -9.199 8.868 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.943 -11.495 9.610 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.150 -9.826 10.191 1.00 0.38 H new ATOM 0 HD23 LEU A 148 4.058 -11.169 11.356 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.223 -10.195 10.322 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.165 -9.848 9.265 1.00 0.29 C ATOM 2384 C LYS A 149 -3.508 -9.436 9.856 1.00 0.29 C ATOM 2385 O LYS A 149 -4.060 -8.405 9.501 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.343 -10.989 8.257 1.00 0.35 C ATOM 2387 CG LYS A 149 -2.590 -12.358 8.870 1.00 0.78 C ATOM 2388 CD LYS A 149 -2.841 -13.409 7.797 1.00 0.80 C ATOM 2389 CE LYS A 149 -1.583 -13.720 6.995 1.00 0.83 C ATOM 2390 NZ LYS A 149 -0.573 -14.451 7.808 1.00 1.22 N ATOM 0 H LYS A 149 -1.057 -11.194 10.443 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.747 -9.000 8.723 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.178 -10.746 7.600 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -1.452 -11.043 7.632 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.730 -12.649 9.473 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -3.447 -12.309 9.541 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -3.208 -14.323 8.264 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -3.623 -13.059 7.123 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -1.847 -14.317 6.122 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -1.149 -12.791 6.626 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 0.287 -14.599 7.242 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -0.339 -13.894 8.654 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -0.960 -15.372 8.096 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.029 -10.234 10.767 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.243 -9.858 11.484 1.00 0.35 C ATOM 2406 C GLU A 150 -5.044 -8.502 12.167 1.00 0.34 C ATOM 2407 O GLU A 150 -5.979 -7.714 12.311 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.636 -10.924 12.505 1.00 0.42 C ATOM 2409 CG GLU A 150 -7.024 -10.713 13.081 1.00 1.02 C ATOM 2410 CD GLU A 150 -7.459 -11.836 13.997 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -7.959 -12.861 13.488 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -7.281 -11.712 15.226 1.00 2.00 O ATOM 0 H GLU A 150 -3.639 -11.139 11.030 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.057 -9.777 10.764 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.590 -11.905 12.033 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.909 -10.927 13.317 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -7.044 -9.773 13.632 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.740 -10.619 12.265 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.814 -8.240 12.590 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.473 -6.966 13.199 1.00 0.35 C ATOM 2421 C ARG A 151 -3.645 -5.816 12.201 1.00 0.30 C ATOM 2422 O ARG A 151 -4.098 -4.731 12.576 1.00 0.32 O ATOM 2423 CB ARG A 151 -2.042 -7.007 13.734 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.643 -5.773 14.526 1.00 1.21 C ATOM 2425 CD ARG A 151 -0.366 -6.011 15.308 1.00 1.20 C ATOM 2426 NE ARG A 151 -0.493 -7.158 16.204 1.00 1.71 N ATOM 2427 CZ ARG A 151 0.129 -7.268 17.377 1.00 1.97 C ATOM 2428 NH1 ARG A 151 0.903 -6.284 17.828 1.00 1.74 N ATOM 2429 NH2 ARG A 151 -0.044 -8.356 18.109 1.00 2.88 N ATOM 0 H ARG A 151 -3.036 -8.896 12.521 1.00 0.33 H new ATOM 0 HA ARG A 151 -4.154 -6.789 14.031 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.927 -7.886 14.368 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.355 -7.126 12.896 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.505 -4.931 13.847 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.446 -5.502 15.211 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.460 -6.178 14.616 1.00 1.20 H new ATOM 0 HD3 ARG A 151 -0.122 -5.121 15.887 1.00 1.20 H new ATOM 0 HE ARG A 151 -1.098 -7.926 15.912 1.00 1.71 H new ATOM 0 HH11 ARG A 151 1.024 -5.436 17.274 1.00 1.74 H new ATOM 0 HH12 ARG A 151 1.375 -6.378 18.727 1.00 1.74 H new ATOM 0 HH21 ARG A 151 -0.651 -9.105 17.774 1.00 2.88 H new ATOM 0 HH22 ARG A 151 0.429 -8.446 19.008 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.310 -6.055 10.928 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.466 -5.017 9.910 1.00 0.27 C ATOM 2445 C PHE A 152 -4.947 -4.737 9.673 1.00 0.23 C ATOM 2446 O PHE A 152 -5.344 -3.579 9.556 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.740 -5.371 8.580 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.623 -5.930 7.477 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.580 -5.137 6.857 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.509 -7.250 7.081 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.399 -5.650 5.881 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.325 -7.770 6.096 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.276 -6.970 5.499 1.00 0.21 C ATOM 0 H PHE A 152 -2.937 -6.940 10.585 1.00 0.28 H new ATOM 0 HA PHE A 152 -2.989 -4.112 10.287 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.247 -4.473 8.206 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -1.957 -6.098 8.797 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.682 -4.102 7.147 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.770 -7.884 7.549 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.140 -5.019 5.412 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.219 -8.801 5.794 1.00 0.26 H new ATOM 0 HZ PHE A 152 -5.923 -7.375 4.735 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.769 -5.793 9.594 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.200 -5.612 9.349 1.00 0.22 C ATOM 2465 C VAL A 153 -7.785 -4.774 10.476 1.00 0.25 C ATOM 2466 O VAL A 153 -8.585 -3.885 10.237 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.980 -6.957 9.201 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.179 -7.971 8.398 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.386 -7.551 10.542 1.00 0.28 C ATOM 0 H VAL A 153 -5.471 -6.763 9.695 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.311 -5.102 8.392 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.896 -6.721 8.660 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.747 -8.897 8.312 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -6.981 -7.573 7.403 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.234 -8.171 8.903 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.925 -8.484 10.378 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.495 -7.746 11.138 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -9.030 -6.848 11.071 1.00 0.28 H new ATOM 2479 N SER A 154 -7.315 -5.016 11.696 1.00 0.28 N ATOM 2480 CA SER A 154 -7.762 -4.257 12.852 1.00 0.33 C ATOM 2481 C SER A 154 -7.390 -2.783 12.686 1.00 0.32 C ATOM 2482 O SER A 154 -8.173 -1.890 13.006 1.00 0.35 O ATOM 2483 CB SER A 154 -7.140 -4.839 14.123 1.00 0.38 C ATOM 2484 OG SER A 154 -7.373 -6.240 14.208 1.00 1.05 O ATOM 0 H SER A 154 -6.623 -5.735 11.907 1.00 0.28 H new ATOM 0 HA SER A 154 -8.847 -4.326 12.935 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.068 -4.644 14.130 1.00 0.38 H new ATOM 0 HB3 SER A 154 -7.560 -4.343 14.998 1.00 0.38 H new ATOM 0 HG SER A 154 -6.796 -6.707 13.568 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.202 -2.538 12.140 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.755 -1.182 11.861 1.00 0.29 C ATOM 2492 C PHE A 155 -6.623 -0.558 10.768 1.00 0.28 C ATOM 2493 O PHE A 155 -6.837 0.652 10.752 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.276 -1.178 11.455 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.670 0.197 11.367 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.217 0.846 12.505 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.556 0.841 10.148 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.664 2.110 12.425 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.004 2.102 10.061 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.557 2.739 11.200 1.00 0.39 C ATOM 0 H PHE A 155 -5.533 -3.264 11.883 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.858 -0.583 12.766 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.710 -1.768 12.176 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.174 -1.672 10.489 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.297 0.358 13.465 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.904 0.349 9.252 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.316 2.605 13.319 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.922 2.591 9.101 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.125 3.727 11.134 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.137 -1.396 9.868 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.060 -0.934 8.836 1.00 0.25 C ATOM 2512 C ALA A 156 -9.282 -0.271 9.474 1.00 0.28 C ATOM 2513 O ALA A 156 -9.734 0.786 9.032 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.502 -2.079 7.922 1.00 0.25 C ATOM 0 H ALA A 156 -6.930 -2.394 9.834 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.532 -0.202 8.225 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.188 -1.697 7.166 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.629 -2.512 7.434 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.004 -2.844 8.514 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.805 -0.886 10.536 1.00 0.33 N ATOM 2521 CA LYS A 157 -10.960 -0.325 11.241 1.00 0.39 C ATOM 2522 C LYS A 157 -10.550 0.881 12.079 1.00 0.41 C ATOM 2523 O LYS A 157 -11.384 1.714 12.422 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.652 -1.354 12.145 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.152 -2.593 11.422 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.077 -3.655 11.369 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.487 -4.864 10.548 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.701 -5.505 11.105 1.00 0.75 N ATOM 0 H LYS A 157 -9.453 -1.761 10.924 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.669 -0.018 10.472 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.955 -1.660 12.925 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.495 -0.874 12.642 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.032 -2.986 11.931 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -12.459 -2.330 10.410 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -10.168 -3.226 10.947 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -10.837 -3.974 12.383 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.673 -4.561 9.518 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.670 -5.585 10.525 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.722 -6.507 10.828 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -12.687 -5.433 12.142 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.547 -5.026 10.736 1.00 0.75 H new ATOM 2542 N SER A 158 -9.266 0.972 12.400 1.00 0.48 N ATOM 2543 CA SER A 158 -8.751 2.081 13.190 1.00 0.58 C ATOM 2544 C SER A 158 -8.908 3.396 12.424 1.00 0.49 C ATOM 2545 O SER A 158 -9.158 4.446 13.018 1.00 0.55 O ATOM 2546 CB SER A 158 -7.283 1.834 13.556 1.00 0.81 C ATOM 2547 OG SER A 158 -6.824 2.755 14.534 1.00 1.39 O ATOM 0 H SER A 158 -8.561 0.289 12.124 1.00 0.48 H new ATOM 0 HA SER A 158 -9.326 2.154 14.113 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.168 0.817 13.931 1.00 0.81 H new ATOM 0 HB3 SER A 158 -6.666 1.916 12.661 1.00 0.81 H new ATOM 0 HG SER A 158 -5.885 2.568 14.745 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.773 3.329 11.102 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.008 4.495 10.260 1.00 0.46 C ATOM 2555 C LEU A 159 -10.508 4.682 10.036 1.00 0.38 C ATOM 2556 O LEU A 159 -10.971 5.782 9.741 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.290 4.368 8.908 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.781 4.670 8.885 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.482 6.044 9.470 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -5.987 3.593 9.603 1.00 0.76 C ATOM 0 H LEU A 159 -8.504 2.486 10.595 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.603 5.367 10.775 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.437 3.352 8.541 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.780 5.037 8.201 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.468 4.674 7.841 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.408 6.227 9.439 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.997 6.808 8.887 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.827 6.082 10.503 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -4.926 3.839 9.567 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.311 3.534 10.642 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.154 2.632 9.116 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.263 3.598 10.188 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.707 3.676 10.066 1.00 0.41 C ATOM 2574 C GLY A 160 -13.269 2.869 8.906 1.00 0.35 C ATOM 2575 O GLY A 160 -14.209 3.300 8.245 1.00 0.42 O ATOM 0 H GLY A 160 -10.900 2.667 10.393 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.160 3.326 10.993 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -12.996 4.720 9.944 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.708 1.695 8.658 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.191 0.833 7.584 1.00 0.35 C ATOM 2581 C LEU A 161 -13.729 -0.481 8.135 1.00 0.37 C ATOM 2582 O LEU A 161 -13.670 -0.729 9.337 1.00 0.58 O ATOM 2583 CB LEU A 161 -12.071 0.569 6.582 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.302 1.150 5.184 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.986 1.603 4.582 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.958 0.110 4.283 1.00 0.35 C ATOM 0 H LEU A 161 -11.920 1.316 9.183 1.00 0.38 H new ATOM 0 HA LEU A 161 -14.009 1.345 7.077 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -11.143 0.979 6.981 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.931 -0.508 6.493 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.966 2.011 5.269 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -11.163 2.014 3.588 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.540 2.368 5.217 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.308 0.753 4.507 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -13.117 0.535 3.292 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.310 -0.763 4.204 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.917 -0.187 4.708 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.252 -1.311 7.242 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.930 -2.541 7.625 1.00 0.42 C ATOM 2600 C LYS A 162 -14.305 -3.756 6.947 1.00 0.36 C ATOM 2601 O LYS A 162 -13.720 -3.641 5.868 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.397 -2.440 7.216 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.564 -2.141 5.733 1.00 0.86 C ATOM 2604 CD LYS A 162 -17.437 -0.923 5.487 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.989 0.275 6.303 1.00 0.77 C ATOM 2606 NZ LYS A 162 -18.011 1.352 6.292 1.00 1.46 N ATOM 0 H LYS A 162 -14.218 -1.151 6.235 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.835 -2.668 8.703 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.904 -3.375 7.455 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.881 -1.657 7.799 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -15.584 -1.980 5.284 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.003 -3.007 5.237 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -17.413 -0.669 4.427 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -18.471 -1.163 5.734 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.796 -0.034 7.330 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -16.050 0.658 5.904 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.674 2.156 6.859 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.177 1.663 5.314 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -18.899 0.992 6.696 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.452 -4.914 7.594 1.00 0.40 N ATOM 2621 CA ASP A 163 -14.051 -6.218 7.030 1.00 0.41 C ATOM 2622 C ASP A 163 -14.539 -6.389 5.596 1.00 0.39 C ATOM 2623 O ASP A 163 -13.919 -7.090 4.795 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.635 -7.373 7.855 1.00 0.52 C ATOM 2625 CG ASP A 163 -14.332 -7.270 9.331 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -13.249 -7.721 9.759 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -15.171 -6.723 10.074 1.00 1.81 O ATOM 0 H ASP A 163 -14.854 -4.981 8.529 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.961 -6.239 7.054 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -15.716 -7.400 7.715 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -14.241 -8.316 7.476 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.653 -5.743 5.280 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.306 -5.889 3.980 1.00 0.43 C ATOM 2634 C ASN A 164 -15.442 -5.345 2.846 1.00 0.38 C ATOM 2635 O ASN A 164 -15.732 -5.570 1.671 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.664 -5.179 3.985 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.647 -5.810 4.954 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.620 -7.020 5.188 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.522 -4.997 5.526 1.00 1.68 N ATOM 0 H ASN A 164 -16.131 -5.103 5.914 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.453 -6.955 3.807 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.521 -4.131 4.248 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.085 -5.201 2.980 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.206 -5.367 6.186 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.512 -4.001 5.306 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.379 -4.635 3.200 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.451 -4.106 2.209 1.00 0.31 C ATOM 2648 C ASN A 165 -12.011 -4.452 2.577 1.00 0.26 C ATOM 2649 O ASN A 165 -11.079 -3.749 2.208 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.615 -2.588 2.067 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.945 -2.195 1.450 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.942 -2.014 2.151 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.966 -2.046 0.134 1.00 0.61 N ATOM 0 H ASN A 165 -14.138 -4.412 4.166 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.682 -4.569 1.250 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.524 -2.124 3.049 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.805 -2.196 1.453 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.830 -1.772 -0.334 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.119 -2.205 -0.411 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.834 -5.538 3.318 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.499 -5.974 3.730 1.00 0.22 C ATOM 2662 C ILE A 166 -10.202 -7.386 3.226 1.00 0.24 C ATOM 2663 O ILE A 166 -10.716 -8.359 3.770 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.379 -5.963 5.275 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.702 -4.568 5.824 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.996 -6.429 5.731 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.687 -4.485 7.336 1.00 0.26 C ATOM 0 H ILE A 166 -12.593 -6.134 3.647 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.780 -5.279 3.297 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.106 -6.668 5.677 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -9.981 -3.855 5.424 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.685 -4.265 5.463 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.946 -6.409 6.820 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.820 -7.445 5.378 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.235 -5.765 5.321 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.925 -3.468 7.647 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.428 -5.172 7.745 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.698 -4.756 7.705 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.369 -7.500 2.200 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.021 -8.804 1.645 1.00 0.26 C ATOM 2681 C VAL A 167 -7.661 -9.260 2.167 1.00 0.26 C ATOM 2682 O VAL A 167 -6.967 -8.523 2.866 1.00 0.31 O ATOM 2683 CB VAL A 167 -8.993 -8.803 0.094 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.373 -8.519 -0.485 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.963 -7.810 -0.449 1.00 0.72 C ATOM 0 H VAL A 167 -8.922 -6.709 1.736 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.800 -9.495 1.967 1.00 0.26 H new ATOM 0 HB VAL A 167 -8.693 -9.802 -0.223 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.319 -8.525 -1.574 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.072 -9.286 -0.152 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -10.717 -7.542 -0.144 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -7.971 -7.837 -1.539 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -8.212 -6.805 -0.109 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -6.971 -8.080 -0.087 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.286 -10.475 1.828 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.025 -11.031 2.284 1.00 0.28 C ATOM 2697 C PHE A 168 -5.170 -11.423 1.091 1.00 0.30 C ATOM 2698 O PHE A 168 -5.677 -11.574 -0.019 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.265 -12.242 3.191 1.00 0.33 C ATOM 2700 CG PHE A 168 -7.004 -11.909 4.460 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.354 -11.278 5.511 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.346 -12.225 4.601 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -7.030 -10.968 6.676 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -9.027 -11.917 5.764 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.368 -11.287 6.803 1.00 0.40 C ATOM 0 H PHE A 168 -7.836 -11.099 1.237 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.498 -10.272 2.862 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.830 -12.993 2.638 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.305 -12.690 3.447 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.308 -11.026 5.418 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.866 -12.718 3.793 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.512 -10.477 7.487 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -10.073 -12.168 5.861 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.898 -11.045 7.712 1.00 0.40 H new ATOM 2715 N SER A 169 -3.872 -11.559 1.329 1.00 0.48 N ATOM 2716 CA SER A 169 -2.924 -11.925 0.288 1.00 0.63 C ATOM 2717 C SER A 169 -3.317 -13.218 -0.409 1.00 0.50 C ATOM 2718 O SER A 169 -3.238 -14.302 0.171 1.00 0.66 O ATOM 2719 CB SER A 169 -1.541 -12.082 0.897 1.00 1.01 C ATOM 2720 OG SER A 169 -1.568 -12.990 1.986 1.00 1.75 O ATOM 0 H SER A 169 -3.449 -11.419 2.246 1.00 0.48 H new ATOM 0 HA SER A 169 -2.924 -11.130 -0.457 1.00 0.63 H new ATOM 0 HB2 SER A 169 -0.844 -12.438 0.139 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.176 -11.112 1.236 1.00 1.01 H new ATOM 0 HG SER A 169 -2.154 -13.745 1.768 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.750 -13.095 -1.647 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.039 -14.255 -2.467 1.00 0.41 C ATOM 2728 C VAL A 170 -2.787 -14.693 -3.213 1.00 0.41 C ATOM 2729 O VAL A 170 -2.220 -13.921 -3.994 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.168 -13.967 -3.476 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.449 -15.181 -4.352 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.424 -13.521 -2.750 1.00 0.57 C ATOM 0 H VAL A 170 -3.910 -12.200 -2.109 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.370 -15.055 -1.805 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.840 -13.159 -4.130 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -6.250 -14.946 -5.053 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.548 -15.446 -4.906 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.750 -16.020 -3.725 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.212 -13.321 -3.476 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.749 -14.307 -2.068 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.214 -12.614 -2.184 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.316 -15.918 -2.941 1.00 0.47 N ATOM 2743 CA PRO A 171 -1.210 -16.527 -3.679 1.00 0.54 C ATOM 2744 C PRO A 171 -1.591 -16.755 -5.135 1.00 0.54 C ATOM 2745 O PRO A 171 -2.142 -17.800 -5.490 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.980 -17.869 -2.972 1.00 0.66 C ATOM 2747 CG PRO A 171 -1.681 -17.751 -1.660 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.821 -16.801 -1.880 1.00 0.57 C ATOM 0 HA PRO A 171 -0.321 -15.896 -3.688 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -1.381 -18.696 -3.559 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.084 -18.063 -2.833 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -2.043 -18.722 -1.323 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -1.006 -17.378 -0.890 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.728 -17.323 -2.187 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -3.064 -16.245 -0.974 1.00 0.57 H new ATOM 2756 N THR A 172 -1.324 -15.761 -5.964 1.00 0.65 N ATOM 2757 CA THR A 172 -1.692 -15.815 -7.366 1.00 0.78 C ATOM 2758 C THR A 172 -0.668 -16.608 -8.160 1.00 0.73 C ATOM 2759 O THR A 172 0.485 -16.755 -7.743 1.00 0.72 O ATOM 2760 CB THR A 172 -1.817 -14.396 -7.967 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.248 -14.466 -9.333 1.00 1.78 O ATOM 2762 CG2 THR A 172 -0.497 -13.641 -7.885 1.00 0.81 C ATOM 0 H THR A 172 -0.850 -14.901 -5.687 1.00 0.65 H new ATOM 0 HA THR A 172 -2.661 -16.310 -7.429 1.00 0.78 H new ATOM 0 HB THR A 172 -2.560 -13.855 -7.381 1.00 1.07 H new ATOM 0 HG1 THR A 172 -2.324 -13.560 -9.699 1.00 1.78 H new ATOM 0 HG21 THR A 172 -0.619 -12.647 -8.316 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.194 -13.550 -6.842 1.00 0.81 H new ATOM 0 HG23 THR A 172 0.268 -14.185 -8.439 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.101 -17.126 -9.296 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.194 -17.782 -10.219 1.00 0.80 C ATOM 2772 C ASP A 173 0.537 -16.721 -11.022 1.00 0.77 C ATOM 2773 O ASP A 173 0.104 -16.310 -12.101 1.00 0.86 O ATOM 2774 CB ASP A 173 -0.948 -18.734 -11.146 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.061 -19.315 -12.232 1.00 1.34 C ATOM 2776 OD1 ASP A 173 0.849 -20.102 -11.897 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -0.265 -18.987 -13.422 1.00 1.55 O ATOM 0 H ASP A 173 -2.074 -17.105 -9.601 1.00 0.75 H new ATOM 0 HA ASP A 173 0.525 -18.377 -9.656 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.375 -19.546 -10.558 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.780 -18.203 -11.607 1.00 0.99 H new ATOM 2782 N GLN A 174 1.633 -16.266 -10.458 1.00 0.78 N ATOM 2783 CA GLN A 174 2.423 -15.206 -11.048 1.00 0.94 C ATOM 2784 C GLN A 174 3.879 -15.386 -10.650 1.00 0.89 C ATOM 2785 O GLN A 174 4.184 -15.929 -9.587 1.00 1.21 O ATOM 2786 CB GLN A 174 1.884 -13.842 -10.592 1.00 1.17 C ATOM 2787 CG GLN A 174 2.529 -12.643 -11.259 1.00 1.69 C ATOM 2788 CD GLN A 174 3.104 -11.664 -10.262 1.00 2.98 C ATOM 2789 OE1 GLN A 174 4.256 -11.772 -9.866 1.00 3.60 O ATOM 2790 NE2 GLN A 174 2.299 -10.699 -9.846 1.00 3.76 N ATOM 0 H GLN A 174 2.003 -16.620 -9.576 1.00 0.78 H new ATOM 0 HA GLN A 174 2.354 -15.248 -12.135 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.811 -13.810 -10.781 1.00 1.17 H new ATOM 0 HB3 GLN A 174 2.020 -13.756 -9.514 1.00 1.17 H new ATOM 0 HG2 GLN A 174 3.321 -12.985 -11.925 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.790 -12.134 -11.877 1.00 1.69 H new ATOM 0 HE21 GLN A 174 1.344 -10.643 -10.200 1.00 3.76 H new ATOM 0 HE22 GLN A 174 2.634 -10.011 -9.171 1.00 3.76 H new ATOM 2799 N CYS A 175 4.759 -14.937 -11.519 1.00 0.79 N ATOM 2800 CA CYS A 175 6.194 -15.129 -11.366 1.00 0.85 C ATOM 2801 C CYS A 175 6.765 -14.114 -10.380 1.00 1.02 C ATOM 2802 O CYS A 175 7.698 -13.377 -10.688 1.00 2.06 O ATOM 2803 CB CYS A 175 6.857 -14.985 -12.736 1.00 0.90 C ATOM 2804 SG CYS A 175 5.933 -15.807 -14.083 1.00 1.07 S ATOM 0 H CYS A 175 4.501 -14.423 -12.361 1.00 0.79 H new ATOM 0 HA CYS A 175 6.393 -16.125 -10.969 1.00 0.85 H new ATOM 0 HB2 CYS A 175 6.961 -13.926 -12.971 1.00 0.90 H new ATOM 0 HB3 CYS A 175 7.863 -15.401 -12.690 1.00 0.90 H new ATOM 2809 N ILE A 176 6.201 -14.112 -9.185 1.00 0.60 N ATOM 2810 CA ILE A 176 6.492 -13.107 -8.177 1.00 0.56 C ATOM 2811 C ILE A 176 7.801 -13.418 -7.424 1.00 0.80 C ATOM 2812 O ILE A 176 7.819 -13.659 -6.216 1.00 1.52 O ATOM 2813 CB ILE A 176 5.282 -12.996 -7.211 1.00 0.51 C ATOM 2814 CG1 ILE A 176 5.484 -11.867 -6.207 1.00 0.46 C ATOM 2815 CG2 ILE A 176 5.011 -14.320 -6.505 1.00 0.81 C ATOM 2816 CD1 ILE A 176 4.311 -11.672 -5.258 1.00 0.65 C ATOM 0 H ILE A 176 5.523 -14.813 -8.884 1.00 0.60 H new ATOM 0 HA ILE A 176 6.645 -12.145 -8.665 1.00 0.56 H new ATOM 0 HB ILE A 176 4.403 -12.757 -7.809 1.00 0.51 H new ATOM 0 HG12 ILE A 176 6.382 -12.069 -5.623 1.00 0.46 H new ATOM 0 HG13 ILE A 176 5.659 -10.938 -6.749 1.00 0.46 H new ATOM 0 HG21 ILE A 176 4.158 -14.208 -5.836 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.793 -15.089 -7.246 1.00 0.81 H new ATOM 0 HG23 ILE A 176 5.889 -14.611 -5.928 1.00 0.81 H new ATOM 0 HD11 ILE A 176 4.529 -10.852 -4.574 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.414 -11.438 -5.831 1.00 0.65 H new ATOM 0 HD13 ILE A 176 4.149 -12.587 -4.688 1.00 0.65 H new ATOM 2828 N ASP A 177 8.906 -13.410 -8.155 1.00 0.96 N ATOM 2829 CA ASP A 177 10.216 -13.662 -7.565 1.00 1.17 C ATOM 2830 C ASP A 177 11.253 -12.716 -8.153 1.00 1.20 C ATOM 2831 O ASP A 177 11.894 -13.026 -9.159 1.00 1.77 O ATOM 2832 CB ASP A 177 10.645 -15.118 -7.795 1.00 1.56 C ATOM 2833 CG ASP A 177 11.958 -15.456 -7.107 1.00 2.20 C ATOM 2834 OD1 ASP A 177 13.026 -15.116 -7.654 1.00 2.64 O ATOM 2835 OD2 ASP A 177 11.929 -16.060 -6.012 1.00 2.72 O ATOM 0 H ASP A 177 8.923 -13.232 -9.159 1.00 0.96 H new ATOM 0 HA ASP A 177 10.144 -13.486 -6.492 1.00 1.17 H new ATOM 0 HB2 ASP A 177 9.865 -15.785 -7.428 1.00 1.56 H new ATOM 0 HB3 ASP A 177 10.743 -15.299 -8.865 1.00 1.56 H new ATOM 2840 N ASN A 178 11.398 -11.552 -7.540 1.00 1.25 N ATOM 2841 CA ASN A 178 12.387 -10.586 -7.985 1.00 1.44 C ATOM 2842 C ASN A 178 13.592 -10.612 -7.058 1.00 1.68 C ATOM 2843 O ASN A 178 14.543 -11.372 -7.340 1.00 2.24 O ATOM 2844 CB ASN A 178 11.797 -9.174 -8.035 1.00 1.56 C ATOM 2845 CG ASN A 178 12.754 -8.174 -8.665 1.00 2.49 C ATOM 2846 OD1 ASN A 178 12.796 -7.006 -8.281 1.00 3.26 O ATOM 2847 ND2 ASN A 178 13.521 -8.622 -9.650 1.00 3.01 N ATOM 2848 OXT ASN A 178 13.582 -9.889 -6.048 1.00 1.94 O ATOM 0 H ASN A 178 10.845 -11.255 -6.736 1.00 1.25 H new ATOM 0 HA ASN A 178 12.699 -10.860 -8.993 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.866 -9.191 -8.602 1.00 1.56 H new ATOM 0 HB3 ASN A 178 11.549 -8.850 -7.024 1.00 1.56 H new ATOM 0 HD21 ASN A 178 14.173 -7.991 -10.116 1.00 3.01 H new ATOM 0 HD22 ASN A 178 13.459 -9.597 -9.942 1.00 3.01 H new TER 2855 ASN A 178