USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 973 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 101 ASN : amide:sc= -0.238 X(o=-0.57,f=-0.8) USER MOD Set 1.2: A 132 GLN : amide:sc= -0.33 K(o=-0.57,f=-5.2!) USER MOD Set 2.1: A 95 THR OG1 : rot 147:sc= 0.924 USER MOD Set 2.2: A 96 GLN : amide:sc= -0.549 K(o=1.7,f=-7.7!) USER MOD Set 2.3: A 102 SER OG : rot 82:sc= 1.09 USER MOD Set 2.4: A 128 ASN : amide:sc= 0.223 K(o=1.7,f=-1.5!) USER MOD Set 3.1: A 36 TYR OH : rot 147:sc= 2.21 USER MOD Set 3.2: A 49 SER OG : rot 39:sc= 1.14 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 35 ASN : amide:sc= 0.911 K(o=0.91,f=-0.0013) USER MOD Set 5.1: A 34 GLN : amide:sc= 0.555 K(o=0.56,f=-7.8!) USER MOD Set 5.2: A 38 ASN : amide:sc= 0 K(o=0.56,f=-1.6) USER MOD Set 6.1: A 11 HIS : +bothHN:sc= 1.83 K(o=1.4,f=-14!) USER MOD Set 6.2: A 54 ASN : amide:sc= -1.61 K(o=1.4,f=0.54!) USER MOD Set 6.3: A 123 TYR OH : rot -45:sc= 1.19 USER MOD Set 7.1: A 1 GLN : amide:sc= 0.758 K(o=1.6,f=-0.72) USER MOD Set 7.2: A 2 ASN : amide:sc= 0.808 K(o=1.6,f=-0.39) USER MOD Single : A 1 GLN N :NH3+ -117:sc= 1.18 (180deg=0.0274) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0686 K(o=-0.069,f=-2.5!) USER MOD Single : A 17 GLN : amide:sc= 0.129 X(o=0.13,f=-0.015) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.214 (180deg=-0.831) USER MOD Single : A 24 SER OG : rot 68:sc= 0.355 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00303 X(o=-0.003,f=-0.17) USER MOD Single : A 48 HIS : no HE2:sc= -0.777 K(o=-0.78,f=-3.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -167:sc= 1.44 USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 73 SER OG : rot -14:sc= 0.422 USER MOD Single : A 77 SER OG : rot 172:sc= 1.16 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.795 K(o=-0.8,f=-7.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.216 K(o=0.22,f=-3.2!) USER MOD Single : A 84 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.128 F(o=-0.76,f=-0.13) USER MOD Single : A 94 TYR OH : rot 85:sc= 1.42 USER MOD Single : A 113 ASN : amide:sc= 0.438 K(o=0.44,f=-5.7!) USER MOD Single : A 114 ASN : amide:sc= -0.151 X(o=-0.15,f=0.23) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc=-0.00252 K(o=-0.0025,f=-7.9!) USER MOD Single : A 135 TYR OH : rot 155:sc= 0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.087 8.585 4.667 1.00 2.65 N ATOM 2 CA GLN A 1 -5.840 9.227 4.237 1.00 1.36 C ATOM 3 C GLN A 1 -4.616 8.389 4.620 1.00 1.08 C ATOM 4 O GLN A 1 -4.026 7.776 3.739 1.00 1.25 O ATOM 5 CB GLN A 1 -5.797 10.636 4.782 1.00 1.14 C ATOM 6 CG GLN A 1 -4.650 11.608 4.637 1.00 3.06 C ATOM 7 CD GLN A 1 -4.610 12.615 5.775 1.00 4.19 C ATOM 8 OE1 GLN A 1 -3.645 12.664 6.531 1.00 5.44 O ATOM 9 NE2 GLN A 1 -5.675 13.375 5.950 1.00 4.62 N ATOM 0 H1 GLN A 1 -7.663 8.352 3.833 1.00 2.65 H new ATOM 0 H2 GLN A 1 -6.866 7.713 5.190 1.00 2.65 H new ATOM 0 H3 GLN A 1 -7.617 9.234 5.283 1.00 2.65 H new ATOM 0 HA GLN A 1 -5.813 9.290 3.149 1.00 1.36 H new ATOM 0 HB2 GLN A 1 -6.666 11.141 4.361 1.00 1.14 H new ATOM 0 HB3 GLN A 1 -5.970 10.543 5.854 1.00 1.14 H new ATOM 0 HG2 GLN A 1 -3.710 11.057 4.607 1.00 3.06 H new ATOM 0 HG3 GLN A 1 -4.740 12.137 3.688 1.00 3.06 H new ATOM 0 HE21 GLN A 1 -6.460 13.309 5.303 1.00 4.62 H new ATOM 0 HE22 GLN A 1 -5.712 14.028 6.733 1.00 4.62 H new ATOM 20 N ASN A 2 -4.156 8.442 5.869 1.00 1.16 N ATOM 21 CA ASN A 2 -2.798 8.035 6.223 1.00 1.28 C ATOM 22 C ASN A 2 -2.733 6.774 7.073 1.00 1.18 C ATOM 23 O ASN A 2 -1.656 6.196 7.190 1.00 2.06 O ATOM 24 CB ASN A 2 -2.059 9.168 6.941 1.00 1.93 C ATOM 25 CG ASN A 2 -2.647 9.484 8.311 1.00 2.84 C ATOM 26 OD1 ASN A 2 -2.387 8.790 9.289 1.00 3.81 O ATOM 27 ND2 ASN A 2 -3.452 10.534 8.380 1.00 3.60 N ATOM 0 H ASN A 2 -4.712 8.767 6.660 1.00 1.16 H new ATOM 0 HA ASN A 2 -2.310 7.806 5.276 1.00 1.28 H new ATOM 0 HB2 ASN A 2 -1.010 8.896 7.055 1.00 1.93 H new ATOM 0 HB3 ASN A 2 -2.090 10.065 6.322 1.00 1.93 H new ATOM 0 HD21 ASN A 2 -3.881 10.791 9.269 1.00 3.60 H new ATOM 0 HD22 ASN A 2 -3.643 11.086 7.544 1.00 3.60 H new ATOM 34 N SER A 3 -3.822 6.336 7.700 1.00 1.27 N ATOM 35 CA SER A 3 -3.682 5.265 8.678 1.00 1.02 C ATOM 36 C SER A 3 -3.427 3.936 7.952 1.00 0.86 C ATOM 37 O SER A 3 -3.851 3.779 6.809 1.00 1.12 O ATOM 38 CB SER A 3 -4.966 5.171 9.506 1.00 1.14 C ATOM 39 OG SER A 3 -5.450 6.459 9.846 1.00 1.77 O ATOM 0 H SER A 3 -4.769 6.687 7.558 1.00 1.27 H new ATOM 0 HA SER A 3 -2.840 5.475 9.338 1.00 1.02 H new ATOM 0 HB2 SER A 3 -5.727 4.630 8.943 1.00 1.14 H new ATOM 0 HB3 SER A 3 -4.776 4.599 10.414 1.00 1.14 H new ATOM 0 HG SER A 3 -6.272 6.371 10.373 1.00 1.77 H new ATOM 45 N PRO A 4 -2.804 2.949 8.608 1.00 0.81 N ATOM 46 CA PRO A 4 -2.682 1.603 8.068 1.00 0.87 C ATOM 47 C PRO A 4 -4.059 1.083 7.648 1.00 0.61 C ATOM 48 O PRO A 4 -4.262 0.642 6.515 1.00 0.55 O ATOM 49 CB PRO A 4 -2.047 0.771 9.186 1.00 1.17 C ATOM 50 CG PRO A 4 -2.225 1.589 10.463 1.00 1.18 C ATOM 51 CD PRO A 4 -2.276 3.025 9.955 1.00 1.04 C ATOM 0 HA PRO A 4 -2.065 1.558 7.171 1.00 0.87 H new ATOM 0 HB2 PRO A 4 -2.531 -0.202 9.273 1.00 1.17 H new ATOM 0 HB3 PRO A 4 -0.992 0.585 8.984 1.00 1.17 H new ATOM 0 HG2 PRO A 4 -3.139 1.316 10.991 1.00 1.18 H new ATOM 0 HG3 PRO A 4 -1.398 1.437 11.157 1.00 1.18 H new ATOM 0 HD2 PRO A 4 -2.912 3.642 10.590 1.00 1.04 H new ATOM 0 HD3 PRO A 4 -1.284 3.477 9.961 1.00 1.04 H new ATOM 59 N GLN A 5 -5.035 1.218 8.550 1.00 0.57 N ATOM 60 CA GLN A 5 -6.403 0.821 8.274 1.00 0.62 C ATOM 61 C GLN A 5 -6.978 1.509 7.034 1.00 0.51 C ATOM 62 O GLN A 5 -7.917 0.994 6.445 1.00 0.65 O ATOM 63 CB GLN A 5 -7.291 1.035 9.500 1.00 0.82 C ATOM 64 CG GLN A 5 -7.668 2.492 9.775 1.00 1.68 C ATOM 65 CD GLN A 5 -9.178 2.653 9.796 1.00 2.43 C ATOM 66 OE1 GLN A 5 -9.826 2.501 8.764 1.00 3.74 O ATOM 67 NE2 GLN A 5 -9.761 2.958 10.944 1.00 3.06 N ATOM 0 H GLN A 5 -4.893 1.604 9.484 1.00 0.57 H new ATOM 0 HA GLN A 5 -6.386 -0.245 8.049 1.00 0.62 H new ATOM 0 HB2 GLN A 5 -8.206 0.456 9.374 1.00 0.82 H new ATOM 0 HB3 GLN A 5 -6.779 0.636 10.376 1.00 0.82 H new ATOM 0 HG2 GLN A 5 -7.249 2.809 10.730 1.00 1.68 H new ATOM 0 HG3 GLN A 5 -7.238 3.137 9.009 1.00 1.68 H new ATOM 0 HE21 GLN A 5 -9.198 3.078 11.786 1.00 3.06 H new ATOM 0 HE22 GLN A 5 -10.774 3.073 10.987 1.00 3.06 H new ATOM 76 N ASP A 6 -6.464 2.684 6.655 1.00 0.44 N ATOM 77 CA ASP A 6 -7.009 3.440 5.541 1.00 0.56 C ATOM 78 C ASP A 6 -6.623 2.735 4.246 1.00 0.45 C ATOM 79 O ASP A 6 -7.458 2.608 3.352 1.00 0.54 O ATOM 80 CB ASP A 6 -6.519 4.897 5.502 1.00 0.82 C ATOM 81 CG ASP A 6 -6.902 5.771 6.674 1.00 1.13 C ATOM 82 OD1 ASP A 6 -7.598 5.321 7.606 1.00 2.38 O ATOM 83 OD2 ASP A 6 -6.522 6.958 6.620 1.00 1.74 O ATOM 0 H ASP A 6 -5.667 3.127 7.111 1.00 0.44 H new ATOM 0 HA ASP A 6 -8.091 3.481 5.664 1.00 0.56 H new ATOM 0 HB2 ASP A 6 -5.432 4.889 5.424 1.00 0.82 H new ATOM 0 HB3 ASP A 6 -6.900 5.361 4.592 1.00 0.82 H new ATOM 88 N TYR A 7 -5.370 2.270 4.126 1.00 0.38 N ATOM 89 CA TYR A 7 -5.012 1.448 2.979 1.00 0.43 C ATOM 90 C TYR A 7 -5.938 0.233 2.980 1.00 0.39 C ATOM 91 O TYR A 7 -6.596 -0.054 1.979 1.00 0.42 O ATOM 92 CB TYR A 7 -3.548 0.981 3.013 1.00 0.50 C ATOM 93 CG TYR A 7 -2.480 2.056 2.912 1.00 0.57 C ATOM 94 CD1 TYR A 7 -1.976 2.617 4.095 1.00 2.12 C ATOM 95 CD2 TYR A 7 -1.797 2.281 1.700 1.00 1.50 C ATOM 96 CE1 TYR A 7 -0.772 3.335 4.086 1.00 2.55 C ATOM 97 CE2 TYR A 7 -0.601 3.018 1.688 1.00 1.40 C ATOM 98 CZ TYR A 7 -0.071 3.525 2.886 1.00 1.45 C ATOM 99 OH TYR A 7 1.133 4.158 2.879 1.00 2.02 O ATOM 0 H TYR A 7 -4.616 2.446 4.790 1.00 0.38 H new ATOM 0 HA TYR A 7 -5.124 2.045 2.074 1.00 0.43 H new ATOM 0 HB2 TYR A 7 -3.389 0.431 3.941 1.00 0.50 H new ATOM 0 HB3 TYR A 7 -3.398 0.276 2.195 1.00 0.50 H new ATOM 0 HD1 TYR A 7 -2.520 2.495 5.020 1.00 2.12 H new ATOM 0 HD2 TYR A 7 -2.194 1.885 0.777 1.00 1.50 H new ATOM 0 HE1 TYR A 7 -0.383 3.744 5.007 1.00 2.55 H new ATOM 0 HE2 TYR A 7 -0.087 3.195 0.755 1.00 1.40 H new ATOM 0 HH TYR A 7 1.590 4.001 3.731 1.00 2.02 H new ATOM 109 N LEU A 8 -5.983 -0.473 4.110 1.00 0.35 N ATOM 110 CA LEU A 8 -6.815 -1.657 4.266 1.00 0.32 C ATOM 111 C LEU A 8 -8.257 -1.416 3.843 1.00 0.30 C ATOM 112 O LEU A 8 -8.840 -2.263 3.180 1.00 0.33 O ATOM 113 CB LEU A 8 -6.766 -2.178 5.706 1.00 0.31 C ATOM 114 CG LEU A 8 -5.745 -3.301 5.885 1.00 0.41 C ATOM 115 CD1 LEU A 8 -5.594 -3.645 7.365 1.00 0.44 C ATOM 116 CD2 LEU A 8 -6.184 -4.570 5.151 1.00 0.59 C ATOM 0 H LEU A 8 -5.442 -0.236 4.941 1.00 0.35 H new ATOM 0 HA LEU A 8 -6.402 -2.415 3.600 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -6.520 -1.356 6.379 1.00 0.31 H new ATOM 0 HB3 LEU A 8 -7.754 -2.539 5.992 1.00 0.31 H new ATOM 0 HG LEU A 8 -4.799 -2.948 5.474 1.00 0.41 H new ATOM 0 HD11 LEU A 8 -4.864 -4.446 7.480 1.00 0.44 H new ATOM 0 HD12 LEU A 8 -5.255 -2.764 7.910 1.00 0.44 H new ATOM 0 HD13 LEU A 8 -6.555 -3.970 7.763 1.00 0.44 H new ATOM 0 HD21 LEU A 8 -5.438 -5.351 5.297 1.00 0.59 H new ATOM 0 HD22 LEU A 8 -7.143 -4.906 5.546 1.00 0.59 H new ATOM 0 HD23 LEU A 8 -6.285 -4.358 4.087 1.00 0.59 H new ATOM 128 N ALA A 9 -8.829 -0.276 4.210 1.00 0.29 N ATOM 129 CA ALA A 9 -10.194 0.069 3.875 1.00 0.29 C ATOM 130 C ALA A 9 -10.371 -0.011 2.359 1.00 0.27 C ATOM 131 O ALA A 9 -11.183 -0.786 1.866 1.00 0.30 O ATOM 132 CB ALA A 9 -10.515 1.455 4.437 1.00 0.35 C ATOM 0 H ALA A 9 -8.348 0.439 4.755 1.00 0.29 H new ATOM 0 HA ALA A 9 -10.898 -0.632 4.323 1.00 0.29 H new ATOM 0 HB1 ALA A 9 -11.542 1.720 4.187 1.00 0.35 H new ATOM 0 HB2 ALA A 9 -10.396 1.445 5.520 1.00 0.35 H new ATOM 0 HB3 ALA A 9 -9.836 2.189 4.004 1.00 0.35 H new ATOM 138 N VAL A 10 -9.559 0.736 1.609 1.00 0.27 N ATOM 139 CA VAL A 10 -9.637 0.741 0.151 1.00 0.26 C ATOM 140 C VAL A 10 -9.430 -0.671 -0.406 1.00 0.26 C ATOM 141 O VAL A 10 -10.109 -1.079 -1.350 1.00 0.27 O ATOM 142 CB VAL A 10 -8.607 1.712 -0.447 1.00 0.31 C ATOM 143 CG1 VAL A 10 -8.735 1.758 -1.976 1.00 0.42 C ATOM 144 CG2 VAL A 10 -8.808 3.137 0.064 1.00 0.37 C ATOM 0 H VAL A 10 -8.837 1.347 1.991 1.00 0.27 H new ATOM 0 HA VAL A 10 -10.633 1.081 -0.134 1.00 0.26 H new ATOM 0 HB VAL A 10 -7.626 1.345 -0.145 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -7.998 2.451 -2.382 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -8.562 0.763 -2.386 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -9.736 2.093 -2.247 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -8.060 3.792 -0.382 1.00 0.37 H new ATOM 0 HG22 VAL A 10 -9.804 3.484 -0.209 1.00 0.37 H new ATOM 0 HG23 VAL A 10 -8.703 3.153 1.149 1.00 0.37 H new ATOM 154 N HIS A 11 -8.460 -1.408 0.139 1.00 0.25 N ATOM 155 CA HIS A 11 -8.216 -2.773 -0.301 1.00 0.25 C ATOM 156 C HIS A 11 -9.474 -3.612 -0.139 1.00 0.26 C ATOM 157 O HIS A 11 -9.903 -4.285 -1.071 1.00 0.30 O ATOM 158 CB HIS A 11 -7.070 -3.413 0.482 1.00 0.28 C ATOM 159 CG HIS A 11 -5.712 -2.943 0.052 1.00 0.29 C ATOM 160 ND1 HIS A 11 -5.176 -1.694 0.248 1.00 0.34 N ATOM 161 CD2 HIS A 11 -4.806 -3.675 -0.658 1.00 0.33 C ATOM 162 CE1 HIS A 11 -3.962 -1.677 -0.322 1.00 0.42 C ATOM 163 NE2 HIS A 11 -3.705 -2.855 -0.906 1.00 0.41 N ATOM 0 H HIS A 11 -7.838 -1.082 0.879 1.00 0.25 H new ATOM 0 HA HIS A 11 -7.936 -2.736 -1.354 1.00 0.25 H new ATOM 0 HB2 HIS A 11 -7.201 -3.197 1.542 1.00 0.28 H new ATOM 0 HB3 HIS A 11 -7.123 -4.496 0.368 1.00 0.28 H new ATOM 0 HD1 HIS A 11 -5.621 -0.919 0.739 1.00 0.34 H new ATOM 0 HD2 HIS A 11 -4.920 -4.702 -0.971 1.00 0.33 H new ATOM 0 HE1 HIS A 11 -3.288 -0.834 -0.312 1.00 0.42 H new ATOM 0 HE2 HIS A 11 -2.866 -3.104 -1.431 1.00 0.41 H new ATOM 171 N ASN A 12 -10.040 -3.584 1.060 1.00 0.29 N ATOM 172 CA ASN A 12 -11.222 -4.337 1.422 1.00 0.33 C ATOM 173 C ASN A 12 -12.350 -3.955 0.473 1.00 0.34 C ATOM 174 O ASN A 12 -12.958 -4.839 -0.112 1.00 0.46 O ATOM 175 CB ASN A 12 -11.567 -4.118 2.903 1.00 0.44 C ATOM 176 CG ASN A 12 -10.659 -4.920 3.841 1.00 0.58 C ATOM 177 OD1 ASN A 12 -10.107 -5.954 3.467 1.00 1.23 O ATOM 178 ND2 ASN A 12 -10.485 -4.480 5.081 1.00 0.77 N ATOM 0 H ASN A 12 -9.675 -3.019 1.826 1.00 0.29 H new ATOM 0 HA ASN A 12 -11.048 -5.408 1.316 1.00 0.33 H new ATOM 0 HB2 ASN A 12 -11.482 -3.057 3.140 1.00 0.44 H new ATOM 0 HB3 ASN A 12 -12.605 -4.402 3.077 1.00 0.44 H new ATOM 0 HD21 ASN A 12 -9.892 -5.000 5.728 1.00 0.77 H new ATOM 0 HD22 ASN A 12 -10.944 -3.622 5.387 1.00 0.77 H new ATOM 185 N ASP A 13 -12.574 -2.660 0.243 1.00 0.37 N ATOM 186 CA ASP A 13 -13.444 -2.144 -0.815 1.00 0.38 C ATOM 187 C ASP A 13 -13.244 -2.846 -2.160 1.00 0.37 C ATOM 188 O ASP A 13 -14.183 -3.350 -2.769 1.00 0.46 O ATOM 189 CB ASP A 13 -13.221 -0.634 -0.982 1.00 0.42 C ATOM 190 CG ASP A 13 -14.482 0.175 -1.145 1.00 0.56 C ATOM 191 OD1 ASP A 13 -15.318 -0.201 -1.992 1.00 1.86 O ATOM 192 OD2 ASP A 13 -14.588 1.254 -0.525 1.00 1.64 O ATOM 0 H ASP A 13 -12.144 -1.923 0.802 1.00 0.37 H new ATOM 0 HA ASP A 13 -14.469 -2.347 -0.503 1.00 0.38 H new ATOM 0 HB2 ASP A 13 -12.677 -0.263 -0.113 1.00 0.42 H new ATOM 0 HB3 ASP A 13 -12.585 -0.469 -1.851 1.00 0.42 H new ATOM 197 N ALA A 14 -12.024 -2.812 -2.691 1.00 0.37 N ATOM 198 CA ALA A 14 -11.744 -3.353 -4.015 1.00 0.38 C ATOM 199 C ALA A 14 -11.982 -4.863 -4.044 1.00 0.38 C ATOM 200 O ALA A 14 -12.576 -5.389 -4.981 1.00 0.49 O ATOM 201 CB ALA A 14 -10.304 -3.017 -4.405 1.00 0.40 C ATOM 0 H ALA A 14 -11.211 -2.413 -2.221 1.00 0.37 H new ATOM 0 HA ALA A 14 -12.422 -2.900 -4.739 1.00 0.38 H new ATOM 0 HB1 ALA A 14 -10.092 -3.420 -5.395 1.00 0.40 H new ATOM 0 HB2 ALA A 14 -10.174 -1.935 -4.419 1.00 0.40 H new ATOM 0 HB3 ALA A 14 -9.619 -3.456 -3.680 1.00 0.40 H new ATOM 207 N ARG A 15 -11.498 -5.563 -3.022 1.00 0.35 N ATOM 208 CA ARG A 15 -11.621 -7.006 -2.896 1.00 0.44 C ATOM 209 C ARG A 15 -13.097 -7.381 -2.832 1.00 0.55 C ATOM 210 O ARG A 15 -13.558 -8.243 -3.578 1.00 0.62 O ATOM 211 CB ARG A 15 -10.833 -7.465 -1.663 1.00 0.39 C ATOM 212 CG ARG A 15 -9.336 -7.289 -1.953 1.00 0.40 C ATOM 213 CD ARG A 15 -8.485 -7.259 -0.686 1.00 0.86 C ATOM 214 NE ARG A 15 -8.115 -8.608 -0.241 1.00 1.11 N ATOM 215 CZ ARG A 15 -6.995 -9.272 -0.559 1.00 1.72 C ATOM 216 NH1 ARG A 15 -6.188 -8.815 -1.522 1.00 2.88 N ATOM 217 NH2 ARG A 15 -6.694 -10.388 0.101 1.00 2.59 N ATOM 0 H ARG A 15 -11.000 -5.131 -2.244 1.00 0.35 H new ATOM 0 HA ARG A 15 -11.199 -7.516 -3.762 1.00 0.44 H new ATOM 0 HB2 ARG A 15 -11.121 -6.881 -0.789 1.00 0.39 H new ATOM 0 HB3 ARG A 15 -11.056 -8.508 -1.437 1.00 0.39 H new ATOM 0 HG2 ARG A 15 -8.997 -8.103 -2.593 1.00 0.40 H new ATOM 0 HG3 ARG A 15 -9.185 -6.363 -2.508 1.00 0.40 H new ATOM 0 HD2 ARG A 15 -7.582 -6.677 -0.869 1.00 0.86 H new ATOM 0 HD3 ARG A 15 -9.034 -6.753 0.108 1.00 0.86 H new ATOM 0 HE ARG A 15 -8.776 -9.087 0.371 1.00 1.11 H new ATOM 0 HH11 ARG A 15 -6.423 -7.956 -2.020 1.00 2.88 H new ATOM 0 HH12 ARG A 15 -5.337 -9.325 -1.759 1.00 2.88 H new ATOM 0 HH21 ARG A 15 -7.312 -10.727 0.838 1.00 2.59 H new ATOM 0 HH22 ARG A 15 -5.845 -10.904 -0.130 1.00 2.59 H new ATOM 231 N ALA A 16 -13.838 -6.683 -1.976 1.00 0.58 N ATOM 232 CA ALA A 16 -15.276 -6.795 -1.830 1.00 0.63 C ATOM 233 C ALA A 16 -15.935 -6.768 -3.207 1.00 0.70 C ATOM 234 O ALA A 16 -16.730 -7.642 -3.539 1.00 0.86 O ATOM 235 CB ALA A 16 -15.789 -5.670 -0.920 1.00 0.66 C ATOM 0 H ALA A 16 -13.430 -5.997 -1.341 1.00 0.58 H new ATOM 0 HA ALA A 16 -15.535 -7.744 -1.360 1.00 0.63 H new ATOM 0 HB1 ALA A 16 -16.870 -5.755 -0.811 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -15.318 -5.751 0.060 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -15.544 -4.704 -1.362 1.00 0.66 H new ATOM 241 N GLN A 17 -15.550 -5.814 -4.050 1.00 0.65 N ATOM 242 CA GLN A 17 -16.138 -5.638 -5.370 1.00 0.72 C ATOM 243 C GLN A 17 -15.925 -6.812 -6.332 1.00 0.76 C ATOM 244 O GLN A 17 -16.629 -6.882 -7.337 1.00 1.01 O ATOM 245 CB GLN A 17 -15.640 -4.320 -5.963 1.00 0.68 C ATOM 246 CG GLN A 17 -16.307 -3.174 -5.211 1.00 1.20 C ATOM 247 CD GLN A 17 -15.686 -1.847 -5.595 1.00 1.23 C ATOM 248 OE1 GLN A 17 -16.053 -1.257 -6.608 1.00 2.10 O ATOM 249 NE2 GLN A 17 -14.735 -1.373 -4.808 1.00 1.68 N ATOM 0 H GLN A 17 -14.817 -5.139 -3.833 1.00 0.65 H new ATOM 0 HA GLN A 17 -17.219 -5.607 -5.235 1.00 0.72 H new ATOM 0 HB2 GLN A 17 -14.556 -4.251 -5.877 1.00 0.68 H new ATOM 0 HB3 GLN A 17 -15.879 -4.267 -7.025 1.00 0.68 H new ATOM 0 HG2 GLN A 17 -17.374 -3.159 -5.433 1.00 1.20 H new ATOM 0 HG3 GLN A 17 -16.207 -3.331 -4.137 1.00 1.20 H new ATOM 0 HE21 GLN A 17 -14.457 -1.892 -3.975 1.00 1.68 H new ATOM 0 HE22 GLN A 17 -14.280 -0.489 -5.034 1.00 1.68 H new ATOM 258 N VAL A 18 -14.986 -7.722 -6.076 1.00 0.68 N ATOM 259 CA VAL A 18 -14.879 -8.975 -6.825 1.00 0.70 C ATOM 260 C VAL A 18 -15.011 -10.181 -5.891 1.00 0.78 C ATOM 261 O VAL A 18 -14.608 -11.294 -6.235 1.00 1.01 O ATOM 262 CB VAL A 18 -13.604 -8.997 -7.689 1.00 0.69 C ATOM 263 CG1 VAL A 18 -13.784 -8.117 -8.929 1.00 0.80 C ATOM 264 CG2 VAL A 18 -12.374 -8.488 -6.932 1.00 0.68 C ATOM 0 H VAL A 18 -14.281 -7.613 -5.347 1.00 0.68 H new ATOM 0 HA VAL A 18 -15.712 -9.042 -7.524 1.00 0.70 H new ATOM 0 HB VAL A 18 -13.443 -10.039 -7.966 1.00 0.69 H new ATOM 0 HG11 VAL A 18 -12.874 -8.143 -9.529 1.00 0.80 H new ATOM 0 HG12 VAL A 18 -14.620 -8.489 -9.521 1.00 0.80 H new ATOM 0 HG13 VAL A 18 -13.986 -7.091 -8.621 1.00 0.80 H new ATOM 0 HG21 VAL A 18 -11.503 -8.524 -7.586 1.00 0.68 H new ATOM 0 HG22 VAL A 18 -12.544 -7.460 -6.611 1.00 0.68 H new ATOM 0 HG23 VAL A 18 -12.198 -9.116 -6.059 1.00 0.68 H new ATOM 274 N GLY A 19 -15.610 -9.984 -4.717 1.00 0.70 N ATOM 275 CA GLY A 19 -15.825 -11.018 -3.721 1.00 0.73 C ATOM 276 C GLY A 19 -14.542 -11.779 -3.400 1.00 0.74 C ATOM 277 O GLY A 19 -14.581 -12.993 -3.202 1.00 0.97 O ATOM 0 H GLY A 19 -15.967 -9.073 -4.430 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -16.217 -10.567 -2.809 1.00 0.73 H new ATOM 0 HA3 GLY A 19 -16.580 -11.717 -4.081 1.00 0.73 H new ATOM 281 N VAL A 20 -13.412 -11.081 -3.334 1.00 0.68 N ATOM 282 CA VAL A 20 -12.165 -11.610 -2.806 1.00 0.64 C ATOM 283 C VAL A 20 -12.207 -11.409 -1.287 1.00 0.61 C ATOM 284 O VAL A 20 -12.803 -10.442 -0.805 1.00 0.61 O ATOM 285 CB VAL A 20 -10.985 -10.878 -3.470 1.00 0.58 C ATOM 286 CG1 VAL A 20 -9.663 -11.257 -2.807 1.00 0.68 C ATOM 287 CG2 VAL A 20 -10.869 -11.197 -4.966 1.00 0.67 C ATOM 0 H VAL A 20 -13.339 -10.115 -3.653 1.00 0.68 H new ATOM 0 HA VAL A 20 -12.035 -12.671 -3.021 1.00 0.64 H new ATOM 0 HB VAL A 20 -11.185 -9.814 -3.345 1.00 0.58 H new ATOM 0 HG11 VAL A 20 -8.846 -10.726 -3.295 1.00 0.68 H new ATOM 0 HG12 VAL A 20 -9.694 -10.985 -1.752 1.00 0.68 H new ATOM 0 HG13 VAL A 20 -9.504 -12.331 -2.900 1.00 0.68 H new ATOM 0 HG21 VAL A 20 -10.022 -10.657 -5.389 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -10.719 -12.268 -5.099 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -11.784 -10.893 -5.475 1.00 0.67 H new ATOM 297 N GLY A 21 -11.626 -12.322 -0.509 1.00 0.68 N ATOM 298 CA GLY A 21 -11.547 -12.158 0.938 1.00 0.70 C ATOM 299 C GLY A 21 -10.731 -10.909 1.311 1.00 0.65 C ATOM 300 O GLY A 21 -9.979 -10.398 0.482 1.00 0.70 O ATOM 0 H GLY A 21 -11.204 -13.182 -0.859 1.00 0.68 H new ATOM 0 HA2 GLY A 21 -12.552 -12.077 1.353 1.00 0.70 H new ATOM 0 HA3 GLY A 21 -11.089 -13.041 1.383 1.00 0.70 H new ATOM 304 N PRO A 22 -10.873 -10.383 2.535 1.00 0.71 N ATOM 305 CA PRO A 22 -10.167 -9.186 2.986 1.00 0.76 C ATOM 306 C PRO A 22 -8.649 -9.424 3.109 1.00 0.92 C ATOM 307 O PRO A 22 -8.104 -10.379 2.548 1.00 1.21 O ATOM 308 CB PRO A 22 -10.849 -8.818 4.316 1.00 0.83 C ATOM 309 CG PRO A 22 -11.399 -10.148 4.832 1.00 0.90 C ATOM 310 CD PRO A 22 -11.784 -10.880 3.552 1.00 0.81 C ATOM 0 HA PRO A 22 -10.233 -8.363 2.274 1.00 0.76 H new ATOM 0 HB2 PRO A 22 -10.141 -8.379 5.019 1.00 0.83 H new ATOM 0 HB3 PRO A 22 -11.645 -8.088 4.168 1.00 0.83 H new ATOM 0 HG2 PRO A 22 -10.652 -10.699 5.403 1.00 0.90 H new ATOM 0 HG3 PRO A 22 -12.258 -10.003 5.487 1.00 0.90 H new ATOM 0 HD2 PRO A 22 -11.688 -11.959 3.672 1.00 0.81 H new ATOM 0 HD3 PRO A 22 -12.821 -10.681 3.282 1.00 0.81 H new ATOM 318 N MET A 23 -7.943 -8.556 3.830 1.00 0.81 N ATOM 319 CA MET A 23 -6.589 -8.808 4.312 1.00 0.77 C ATOM 320 C MET A 23 -6.441 -8.195 5.697 1.00 0.68 C ATOM 321 O MET A 23 -7.245 -7.341 6.074 1.00 0.80 O ATOM 322 CB MET A 23 -5.513 -8.295 3.344 1.00 0.76 C ATOM 323 CG MET A 23 -5.698 -6.872 2.806 1.00 0.98 C ATOM 324 SD MET A 23 -5.581 -6.714 1.010 1.00 1.26 S ATOM 325 CE MET A 23 -3.928 -7.334 0.647 1.00 1.03 C ATOM 0 H MET A 23 -8.304 -7.641 4.100 1.00 0.81 H new ATOM 0 HA MET A 23 -6.435 -9.885 4.372 1.00 0.77 H new ATOM 0 HB2 MET A 23 -4.548 -8.346 3.849 1.00 0.76 H new ATOM 0 HB3 MET A 23 -5.465 -8.977 2.495 1.00 0.76 H new ATOM 0 HG2 MET A 23 -6.672 -6.503 3.126 1.00 0.98 H new ATOM 0 HG3 MET A 23 -4.947 -6.227 3.262 1.00 0.98 H new ATOM 0 HE1 MET A 23 -3.894 -7.701 -0.379 1.00 1.03 H new ATOM 0 HE2 MET A 23 -3.203 -6.529 0.769 1.00 1.03 H new ATOM 0 HE3 MET A 23 -3.686 -8.147 1.331 1.00 1.03 H new ATOM 335 N SER A 24 -5.435 -8.633 6.445 1.00 0.64 N ATOM 336 CA SER A 24 -5.060 -8.031 7.714 1.00 0.62 C ATOM 337 C SER A 24 -3.936 -7.036 7.499 1.00 0.48 C ATOM 338 O SER A 24 -3.431 -6.894 6.387 1.00 0.63 O ATOM 339 CB SER A 24 -4.756 -9.112 8.764 1.00 0.97 C ATOM 340 OG SER A 24 -3.377 -9.330 9.023 1.00 1.06 O ATOM 0 H SER A 24 -4.851 -9.427 6.182 1.00 0.64 H new ATOM 0 HA SER A 24 -5.897 -7.464 8.122 1.00 0.62 H new ATOM 0 HB2 SER A 24 -5.246 -8.837 9.698 1.00 0.97 H new ATOM 0 HB3 SER A 24 -5.201 -10.051 8.435 1.00 0.97 H new ATOM 0 HG SER A 24 -2.998 -8.540 9.462 1.00 1.06 H new ATOM 346 N TRP A 25 -3.558 -6.363 8.580 1.00 0.44 N ATOM 347 CA TRP A 25 -2.345 -5.569 8.602 1.00 0.42 C ATOM 348 C TRP A 25 -1.213 -6.437 9.132 1.00 0.43 C ATOM 349 O TRP A 25 -1.450 -7.358 9.922 1.00 0.81 O ATOM 350 CB TRP A 25 -2.479 -4.356 9.522 1.00 0.49 C ATOM 351 CG TRP A 25 -1.440 -3.325 9.225 1.00 0.46 C ATOM 352 CD1 TRP A 25 -0.336 -3.033 9.946 1.00 0.49 C ATOM 353 CD2 TRP A 25 -1.348 -2.527 8.018 1.00 0.45 C ATOM 354 NE1 TRP A 25 0.373 -2.036 9.303 1.00 0.50 N ATOM 355 CE2 TRP A 25 -0.202 -1.690 8.095 1.00 0.46 C ATOM 356 CE3 TRP A 25 -2.130 -2.446 6.857 1.00 0.49 C ATOM 357 CZ2 TRP A 25 0.107 -0.757 7.088 1.00 0.50 C ATOM 358 CZ3 TRP A 25 -1.823 -1.541 5.838 1.00 0.51 C ATOM 359 CH2 TRP A 25 -0.749 -0.646 5.976 1.00 0.50 C ATOM 0 H TRP A 25 -4.081 -6.355 9.456 1.00 0.44 H new ATOM 0 HA TRP A 25 -2.150 -5.218 7.589 1.00 0.42 H new ATOM 0 HB2 TRP A 25 -3.471 -3.918 9.406 1.00 0.49 H new ATOM 0 HB3 TRP A 25 -2.390 -4.674 10.561 1.00 0.49 H new ATOM 0 HD1 TRP A 25 -0.053 -3.503 10.876 1.00 0.49 H new ATOM 0 HE1 TRP A 25 1.220 -1.607 9.676 1.00 0.50 H new ATOM 0 HE3 TRP A 25 -2.986 -3.096 6.748 1.00 0.49 H new ATOM 0 HZ2 TRP A 25 0.987 -0.136 7.167 1.00 0.50 H new ATOM 0 HZ3 TRP A 25 -2.417 -1.529 4.936 1.00 0.51 H new ATOM 0 HH2 TRP A 25 -0.581 0.121 5.235 1.00 0.50 H new ATOM 370 N ASP A 26 0.013 -6.088 8.761 1.00 0.59 N ATOM 371 CA ASP A 26 1.250 -6.646 9.226 1.00 0.68 C ATOM 372 C ASP A 26 2.192 -5.499 9.540 1.00 0.87 C ATOM 373 O ASP A 26 2.762 -4.873 8.650 1.00 1.36 O ATOM 374 CB ASP A 26 1.830 -7.605 8.180 1.00 0.71 C ATOM 375 CG ASP A 26 1.042 -7.689 6.896 1.00 2.59 C ATOM 376 OD1 ASP A 26 -0.092 -8.209 6.977 1.00 3.77 O ATOM 377 OD2 ASP A 26 1.578 -7.326 5.841 1.00 3.86 O ATOM 0 H ASP A 26 0.165 -5.350 8.074 1.00 0.59 H new ATOM 0 HA ASP A 26 1.095 -7.234 10.131 1.00 0.68 H new ATOM 0 HB2 ASP A 26 2.848 -7.293 7.946 1.00 0.71 H new ATOM 0 HB3 ASP A 26 1.894 -8.602 8.617 1.00 0.71 H new ATOM 382 N ALA A 27 2.414 -5.267 10.829 1.00 0.83 N ATOM 383 CA ALA A 27 3.336 -4.250 11.296 1.00 0.90 C ATOM 384 C ALA A 27 4.765 -4.580 10.858 1.00 0.82 C ATOM 385 O ALA A 27 5.565 -3.670 10.631 1.00 0.79 O ATOM 386 CB ALA A 27 3.246 -4.178 12.817 1.00 1.17 C ATOM 0 H ALA A 27 1.955 -5.784 11.579 1.00 0.83 H new ATOM 0 HA ALA A 27 3.071 -3.285 10.864 1.00 0.90 H new ATOM 0 HB1 ALA A 27 3.934 -3.417 13.187 1.00 1.17 H new ATOM 0 HB2 ALA A 27 2.228 -3.920 13.109 1.00 1.17 H new ATOM 0 HB3 ALA A 27 3.512 -5.145 13.243 1.00 1.17 H new ATOM 392 N ASN A 28 5.075 -5.869 10.696 1.00 0.85 N ATOM 393 CA ASN A 28 6.371 -6.312 10.202 1.00 0.83 C ATOM 394 C ASN A 28 6.545 -5.812 8.776 1.00 0.77 C ATOM 395 O ASN A 28 7.495 -5.100 8.463 1.00 0.84 O ATOM 396 CB ASN A 28 6.450 -7.844 10.186 1.00 0.93 C ATOM 397 CG ASN A 28 6.689 -8.439 11.562 1.00 1.03 C ATOM 398 OD1 ASN A 28 7.835 -8.550 11.992 1.00 1.65 O ATOM 399 ND2 ASN A 28 5.642 -8.855 12.257 1.00 2.04 N ATOM 0 H ASN A 28 4.431 -6.631 10.905 1.00 0.85 H new ATOM 0 HA ASN A 28 7.149 -5.919 10.856 1.00 0.83 H new ATOM 0 HB2 ASN A 28 5.523 -8.246 9.778 1.00 0.93 H new ATOM 0 HB3 ASN A 28 7.253 -8.154 9.517 1.00 0.93 H new ATOM 0 HD21 ASN A 28 5.775 -9.280 13.174 1.00 2.04 H new ATOM 0 HD22 ASN A 28 4.702 -8.750 11.875 1.00 2.04 H new ATOM 406 N LEU A 29 5.619 -6.194 7.902 1.00 0.65 N ATOM 407 CA LEU A 29 5.662 -5.838 6.495 1.00 0.53 C ATOM 408 C LEU A 29 5.570 -4.324 6.328 1.00 0.38 C ATOM 409 O LEU A 29 6.222 -3.774 5.451 1.00 0.34 O ATOM 410 CB LEU A 29 4.547 -6.575 5.751 1.00 0.55 C ATOM 411 CG LEU A 29 4.921 -8.062 5.576 1.00 0.88 C ATOM 412 CD1 LEU A 29 3.781 -9.082 5.583 1.00 1.63 C ATOM 413 CD2 LEU A 29 5.539 -8.192 4.197 1.00 0.51 C ATOM 0 H LEU A 29 4.812 -6.764 8.156 1.00 0.65 H new ATOM 0 HA LEU A 29 6.613 -6.146 6.061 1.00 0.53 H new ATOM 0 HB2 LEU A 29 3.612 -6.490 6.304 1.00 0.55 H new ATOM 0 HB3 LEU A 29 4.384 -6.116 4.776 1.00 0.55 H new ATOM 0 HG LEU A 29 5.551 -8.291 6.435 1.00 0.88 H new ATOM 0 HD11 LEU A 29 4.189 -10.084 5.451 1.00 1.63 H new ATOM 0 HD12 LEU A 29 3.251 -9.028 6.534 1.00 1.63 H new ATOM 0 HD13 LEU A 29 3.090 -8.861 4.769 1.00 1.63 H new ATOM 0 HD21 LEU A 29 5.823 -9.230 4.022 1.00 0.51 H new ATOM 0 HD22 LEU A 29 4.815 -7.881 3.443 1.00 0.51 H new ATOM 0 HD23 LEU A 29 6.424 -7.558 4.134 1.00 0.51 H new ATOM 425 N ALA A 30 4.811 -3.634 7.178 1.00 0.40 N ATOM 426 CA ALA A 30 4.751 -2.181 7.168 1.00 0.39 C ATOM 427 C ALA A 30 6.131 -1.611 7.464 1.00 0.44 C ATOM 428 O ALA A 30 6.661 -0.824 6.682 1.00 0.41 O ATOM 429 CB ALA A 30 3.704 -1.691 8.165 1.00 0.48 C ATOM 0 H ALA A 30 4.224 -4.069 7.889 1.00 0.40 H new ATOM 0 HA ALA A 30 4.448 -1.830 6.181 1.00 0.39 H new ATOM 0 HB1 ALA A 30 3.668 -0.602 8.149 1.00 0.48 H new ATOM 0 HB2 ALA A 30 2.727 -2.091 7.893 1.00 0.48 H new ATOM 0 HB3 ALA A 30 3.968 -2.030 9.167 1.00 0.48 H new ATOM 435 N SER A 31 6.741 -2.058 8.562 1.00 0.62 N ATOM 436 CA SER A 31 8.115 -1.712 8.877 1.00 0.62 C ATOM 437 C SER A 31 9.025 -1.970 7.678 1.00 0.53 C ATOM 438 O SER A 31 9.873 -1.140 7.373 1.00 0.51 O ATOM 439 CB SER A 31 8.589 -2.389 10.137 1.00 0.78 C ATOM 440 OG SER A 31 9.845 -1.909 10.588 1.00 2.54 O ATOM 0 H SER A 31 6.295 -2.665 9.250 1.00 0.62 H new ATOM 0 HA SER A 31 8.160 -0.643 9.084 1.00 0.62 H new ATOM 0 HB2 SER A 31 7.847 -2.242 10.922 1.00 0.78 H new ATOM 0 HB3 SER A 31 8.659 -3.462 9.961 1.00 0.78 H new ATOM 0 HG SER A 31 10.101 -2.382 11.407 1.00 2.54 H new ATOM 446 N ARG A 32 8.863 -3.107 7.005 1.00 0.56 N ATOM 447 CA ARG A 32 9.651 -3.466 5.839 1.00 0.57 C ATOM 448 C ARG A 32 9.458 -2.438 4.726 1.00 0.45 C ATOM 449 O ARG A 32 10.423 -1.825 4.297 1.00 0.53 O ATOM 450 CB ARG A 32 9.230 -4.865 5.349 1.00 0.69 C ATOM 451 CG ARG A 32 10.400 -5.609 4.706 1.00 0.85 C ATOM 452 CD ARG A 32 11.005 -6.614 5.691 1.00 2.08 C ATOM 453 NE ARG A 32 12.468 -6.626 5.602 1.00 2.86 N ATOM 454 CZ ARG A 32 13.286 -5.794 6.262 1.00 3.88 C ATOM 455 NH1 ARG A 32 12.860 -5.083 7.306 1.00 4.93 N ATOM 456 NH2 ARG A 32 14.546 -5.656 5.869 1.00 4.51 N ATOM 0 H ARG A 32 8.171 -3.811 7.261 1.00 0.56 H new ATOM 0 HA ARG A 32 10.706 -3.480 6.112 1.00 0.57 H new ATOM 0 HB2 ARG A 32 8.846 -5.445 6.188 1.00 0.69 H new ATOM 0 HB3 ARG A 32 8.418 -4.770 4.628 1.00 0.69 H new ATOM 0 HG2 ARG A 32 10.060 -6.129 3.810 1.00 0.85 H new ATOM 0 HG3 ARG A 32 11.162 -4.896 4.391 1.00 0.85 H new ATOM 0 HD2 ARG A 32 10.702 -6.360 6.707 1.00 2.08 H new ATOM 0 HD3 ARG A 32 10.617 -7.611 5.482 1.00 2.08 H new ATOM 0 HE ARG A 32 12.897 -7.321 4.991 1.00 2.86 H new ATOM 0 HH11 ARG A 32 11.893 -5.166 7.619 1.00 4.93 H new ATOM 0 HH12 ARG A 32 13.501 -4.456 7.792 1.00 4.93 H new ATOM 0 HH21 ARG A 32 14.890 -6.182 5.066 1.00 4.51 H new ATOM 0 HH22 ARG A 32 15.170 -5.023 6.370 1.00 4.51 H new ATOM 470 N ALA A 33 8.227 -2.253 4.253 1.00 0.39 N ATOM 471 CA ALA A 33 7.882 -1.361 3.158 1.00 0.42 C ATOM 472 C ALA A 33 8.422 0.036 3.442 1.00 0.47 C ATOM 473 O ALA A 33 9.063 0.655 2.595 1.00 0.52 O ATOM 474 CB ALA A 33 6.359 -1.334 3.000 1.00 0.45 C ATOM 0 H ALA A 33 7.417 -2.739 4.638 1.00 0.39 H new ATOM 0 HA ALA A 33 8.329 -1.717 2.230 1.00 0.42 H new ATOM 0 HB1 ALA A 33 6.090 -0.667 2.181 1.00 0.45 H new ATOM 0 HB2 ALA A 33 5.998 -2.339 2.783 1.00 0.45 H new ATOM 0 HB3 ALA A 33 5.904 -0.976 3.923 1.00 0.45 H new ATOM 480 N GLN A 34 8.167 0.510 4.657 1.00 0.51 N ATOM 481 CA GLN A 34 8.677 1.761 5.170 1.00 0.55 C ATOM 482 C GLN A 34 10.200 1.790 5.041 1.00 0.53 C ATOM 483 O GLN A 34 10.756 2.695 4.439 1.00 0.62 O ATOM 484 CB GLN A 34 8.233 1.868 6.636 1.00 0.65 C ATOM 485 CG GLN A 34 8.718 3.150 7.307 1.00 0.90 C ATOM 486 CD GLN A 34 7.965 4.380 6.833 1.00 0.98 C ATOM 487 OE1 GLN A 34 6.911 4.285 6.220 1.00 2.33 O ATOM 488 NE2 GLN A 34 8.461 5.563 7.154 1.00 1.24 N ATOM 0 H GLN A 34 7.580 0.013 5.327 1.00 0.51 H new ATOM 0 HA GLN A 34 8.290 2.610 4.607 1.00 0.55 H new ATOM 0 HB2 GLN A 34 7.145 1.826 6.686 1.00 0.65 H new ATOM 0 HB3 GLN A 34 8.611 1.008 7.189 1.00 0.65 H new ATOM 0 HG2 GLN A 34 8.607 3.055 8.387 1.00 0.90 H new ATOM 0 HG3 GLN A 34 9.781 3.280 7.107 1.00 0.90 H new ATOM 0 HE21 GLN A 34 9.341 5.625 7.666 1.00 1.24 H new ATOM 0 HE22 GLN A 34 7.963 6.413 6.890 1.00 1.24 H new ATOM 497 N ASN A 35 10.884 0.826 5.648 1.00 0.49 N ATOM 498 CA ASN A 35 12.341 0.780 5.711 1.00 0.56 C ATOM 499 C ASN A 35 12.946 0.734 4.312 1.00 0.56 C ATOM 500 O ASN A 35 13.928 1.411 4.038 1.00 0.68 O ATOM 501 CB ASN A 35 12.777 -0.468 6.498 1.00 0.75 C ATOM 502 CG ASN A 35 13.046 -0.142 7.959 1.00 1.03 C ATOM 503 OD1 ASN A 35 14.052 0.471 8.302 1.00 1.59 O ATOM 504 ND2 ASN A 35 12.144 -0.516 8.859 1.00 2.16 N ATOM 0 H ASN A 35 10.434 0.041 6.118 1.00 0.49 H new ATOM 0 HA ASN A 35 12.695 1.681 6.211 1.00 0.56 H new ATOM 0 HB2 ASN A 35 12.001 -1.230 6.432 1.00 0.75 H new ATOM 0 HB3 ASN A 35 13.676 -0.888 6.047 1.00 0.75 H new ATOM 0 HD21 ASN A 35 12.285 -0.294 9.845 1.00 2.16 H new ATOM 0 HD22 ASN A 35 11.311 -1.025 8.565 1.00 2.16 H new ATOM 511 N TYR A 36 12.369 -0.069 3.428 1.00 0.58 N ATOM 512 CA TYR A 36 12.742 -0.230 2.034 1.00 0.72 C ATOM 513 C TYR A 36 12.656 1.129 1.337 1.00 0.73 C ATOM 514 O TYR A 36 13.652 1.629 0.811 1.00 0.84 O ATOM 515 CB TYR A 36 11.785 -1.283 1.452 1.00 0.83 C ATOM 516 CG TYR A 36 11.808 -1.561 -0.038 1.00 0.96 C ATOM 517 CD1 TYR A 36 12.994 -1.988 -0.663 1.00 2.12 C ATOM 518 CD2 TYR A 36 10.579 -1.712 -0.710 1.00 2.10 C ATOM 519 CE1 TYR A 36 12.941 -2.611 -1.923 1.00 2.37 C ATOM 520 CE2 TYR A 36 10.524 -2.374 -1.946 1.00 2.54 C ATOM 521 CZ TYR A 36 11.699 -2.874 -2.525 1.00 2.08 C ATOM 522 OH TYR A 36 11.632 -3.663 -3.632 1.00 2.86 O ATOM 0 H TYR A 36 11.579 -0.661 3.684 1.00 0.58 H new ATOM 0 HA TYR A 36 13.767 -0.574 1.896 1.00 0.72 H new ATOM 0 HB2 TYR A 36 11.983 -2.225 1.964 1.00 0.83 H new ATOM 0 HB3 TYR A 36 10.770 -0.984 1.714 1.00 0.83 H new ATOM 0 HD1 TYR A 36 13.946 -1.837 -0.175 1.00 2.12 H new ATOM 0 HD2 TYR A 36 9.675 -1.316 -0.272 1.00 2.10 H new ATOM 0 HE1 TYR A 36 13.855 -2.887 -2.428 1.00 2.37 H new ATOM 0 HE2 TYR A 36 9.577 -2.498 -2.451 1.00 2.54 H new ATOM 0 HH TYR A 36 10.792 -4.167 -3.624 1.00 2.86 H new ATOM 532 N ALA A 37 11.474 1.743 1.385 1.00 0.71 N ATOM 533 CA ALA A 37 11.213 3.056 0.818 1.00 0.82 C ATOM 534 C ALA A 37 12.218 4.083 1.353 1.00 0.76 C ATOM 535 O ALA A 37 12.867 4.795 0.590 1.00 0.90 O ATOM 536 CB ALA A 37 9.763 3.437 1.141 1.00 0.91 C ATOM 0 H ALA A 37 10.656 1.328 1.830 1.00 0.71 H new ATOM 0 HA ALA A 37 11.339 3.039 -0.265 1.00 0.82 H new ATOM 0 HB1 ALA A 37 9.544 4.420 0.725 1.00 0.91 H new ATOM 0 HB2 ALA A 37 9.088 2.700 0.706 1.00 0.91 H new ATOM 0 HB3 ALA A 37 9.625 3.462 2.222 1.00 0.91 H new ATOM 542 N ASN A 38 12.350 4.140 2.677 1.00 0.60 N ATOM 543 CA ASN A 38 13.262 5.012 3.408 1.00 0.60 C ATOM 544 C ASN A 38 14.682 4.827 2.909 1.00 0.59 C ATOM 545 O ASN A 38 15.385 5.800 2.637 1.00 0.66 O ATOM 546 CB ASN A 38 13.232 4.702 4.907 1.00 0.65 C ATOM 547 CG ASN A 38 12.170 5.469 5.682 1.00 0.94 C ATOM 548 OD1 ASN A 38 11.006 5.526 5.307 1.00 2.30 O ATOM 549 ND2 ASN A 38 12.549 6.044 6.815 1.00 1.38 N ATOM 0 H ASN A 38 11.796 3.550 3.298 1.00 0.60 H new ATOM 0 HA ASN A 38 12.937 6.039 3.242 1.00 0.60 H new ATOM 0 HB2 ASN A 38 13.064 3.634 5.042 1.00 0.65 H new ATOM 0 HB3 ASN A 38 14.210 4.927 5.333 1.00 0.65 H new ATOM 0 HD21 ASN A 38 11.867 6.542 7.387 1.00 1.38 H new ATOM 0 HD22 ASN A 38 13.522 5.988 7.115 1.00 1.38 H new ATOM 556 N SER A 39 15.122 3.573 2.856 1.00 0.63 N ATOM 557 CA SER A 39 16.477 3.207 2.519 1.00 0.82 C ATOM 558 C SER A 39 16.758 3.683 1.103 1.00 0.92 C ATOM 559 O SER A 39 17.739 4.395 0.876 1.00 1.11 O ATOM 560 CB SER A 39 16.679 1.692 2.672 1.00 1.01 C ATOM 561 OG SER A 39 18.043 1.348 2.485 1.00 2.30 O ATOM 0 H SER A 39 14.524 2.770 3.053 1.00 0.63 H new ATOM 0 HA SER A 39 17.184 3.683 3.199 1.00 0.82 H new ATOM 0 HB2 SER A 39 16.351 1.374 3.662 1.00 1.01 H new ATOM 0 HB3 SER A 39 16.062 1.162 1.946 1.00 1.01 H new ATOM 0 HG SER A 39 18.153 0.380 2.588 1.00 2.30 H new ATOM 567 N ARG A 40 15.917 3.301 0.145 1.00 1.12 N ATOM 568 CA ARG A 40 16.165 3.630 -1.235 1.00 1.44 C ATOM 569 C ARG A 40 15.578 5.010 -1.507 1.00 1.43 C ATOM 570 O ARG A 40 14.569 5.144 -2.200 1.00 1.90 O ATOM 571 CB ARG A 40 15.643 2.512 -2.144 1.00 2.00 C ATOM 572 CG ARG A 40 16.006 2.889 -3.578 1.00 1.98 C ATOM 573 CD ARG A 40 16.238 1.695 -4.500 1.00 2.32 C ATOM 574 NE ARG A 40 16.819 2.191 -5.751 1.00 2.74 N ATOM 575 CZ ARG A 40 17.458 1.467 -6.673 1.00 3.68 C ATOM 576 NH1 ARG A 40 17.513 0.142 -6.569 1.00 4.22 N ATOM 577 NH2 ARG A 40 18.042 2.083 -7.693 1.00 4.45 N ATOM 0 H ARG A 40 15.064 2.766 0.309 1.00 1.12 H new ATOM 0 HA ARG A 40 17.230 3.692 -1.456 1.00 1.44 H new ATOM 0 HB2 ARG A 40 16.090 1.556 -1.873 1.00 2.00 H new ATOM 0 HB3 ARG A 40 14.564 2.401 -2.037 1.00 2.00 H new ATOM 0 HG2 ARG A 40 15.208 3.504 -3.993 1.00 1.98 H new ATOM 0 HG3 ARG A 40 16.907 3.503 -3.563 1.00 1.98 H new ATOM 0 HD2 ARG A 40 16.907 0.975 -4.029 1.00 2.32 H new ATOM 0 HD3 ARG A 40 15.299 1.177 -4.696 1.00 2.32 H new ATOM 0 HE ARG A 40 16.726 3.190 -5.936 1.00 2.74 H new ATOM 0 HH11 ARG A 40 17.065 -0.327 -5.781 1.00 4.22 H new ATOM 0 HH12 ARG A 40 18.003 -0.405 -7.277 1.00 4.22 H new ATOM 0 HH21 ARG A 40 18.000 3.099 -7.767 1.00 4.45 H new ATOM 0 HH22 ARG A 40 18.533 1.540 -8.403 1.00 4.45 H new ATOM 591 N ALA A 41 16.238 6.031 -0.958 1.00 1.70 N ATOM 592 CA ALA A 41 15.871 7.426 -1.140 1.00 1.74 C ATOM 593 C ALA A 41 16.820 8.167 -2.079 1.00 1.87 C ATOM 594 O ALA A 41 16.491 9.259 -2.532 1.00 2.26 O ATOM 595 CB ALA A 41 15.714 8.117 0.215 1.00 1.80 C ATOM 0 H ALA A 41 17.057 5.903 -0.364 1.00 1.70 H new ATOM 0 HA ALA A 41 14.902 7.454 -1.638 1.00 1.74 H new ATOM 0 HB1 ALA A 41 15.439 9.161 0.062 1.00 1.80 H new ATOM 0 HB2 ALA A 41 14.935 7.617 0.790 1.00 1.80 H new ATOM 0 HB3 ALA A 41 16.656 8.066 0.761 1.00 1.80 H new ATOM 601 N GLY A 42 17.978 7.592 -2.402 1.00 2.18 N ATOM 602 CA GLY A 42 18.926 8.212 -3.317 1.00 2.25 C ATOM 603 C GLY A 42 18.284 8.568 -4.660 1.00 1.78 C ATOM 604 O GLY A 42 18.453 9.681 -5.161 1.00 1.74 O ATOM 0 H GLY A 42 18.281 6.689 -2.037 1.00 2.18 H new ATOM 0 HA2 GLY A 42 19.333 9.114 -2.860 1.00 2.25 H new ATOM 0 HA3 GLY A 42 19.763 7.534 -3.485 1.00 2.25 H new ATOM 608 N ASP A 43 17.556 7.614 -5.242 1.00 1.67 N ATOM 609 CA ASP A 43 17.020 7.678 -6.604 1.00 1.72 C ATOM 610 C ASP A 43 15.526 7.375 -6.589 1.00 1.69 C ATOM 611 O ASP A 43 14.754 7.974 -7.336 1.00 2.34 O ATOM 612 CB ASP A 43 17.756 6.701 -7.530 1.00 2.25 C ATOM 613 CG ASP A 43 17.350 5.260 -7.308 1.00 2.68 C ATOM 614 OD1 ASP A 43 17.248 4.846 -6.134 1.00 3.20 O ATOM 615 OD2 ASP A 43 17.144 4.540 -8.306 1.00 3.57 O ATOM 0 H ASP A 43 17.315 6.746 -4.763 1.00 1.67 H new ATOM 0 HA ASP A 43 17.174 8.686 -6.989 1.00 1.72 H new ATOM 0 HB2 ASP A 43 17.559 6.973 -8.567 1.00 2.25 H new ATOM 0 HB3 ASP A 43 18.830 6.799 -7.373 1.00 2.25 H new ATOM 620 N CYS A 44 15.122 6.442 -5.730 1.00 1.66 N ATOM 621 CA CYS A 44 13.750 6.251 -5.289 1.00 1.53 C ATOM 622 C CYS A 44 12.791 6.198 -6.471 1.00 1.19 C ATOM 623 O CYS A 44 11.816 6.947 -6.567 1.00 1.61 O ATOM 624 CB CYS A 44 13.403 7.342 -4.288 1.00 1.82 C ATOM 625 SG CYS A 44 11.869 7.031 -3.408 1.00 2.21 S ATOM 0 H CYS A 44 15.769 5.775 -5.308 1.00 1.66 H new ATOM 0 HA CYS A 44 13.648 5.287 -4.790 1.00 1.53 H new ATOM 0 HB2 CYS A 44 14.215 7.437 -3.567 1.00 1.82 H new ATOM 0 HB3 CYS A 44 13.328 8.295 -4.811 1.00 1.82 H new ATOM 630 N ASN A 45 13.128 5.338 -7.429 1.00 1.65 N ATOM 631 CA ASN A 45 12.406 5.183 -8.684 1.00 1.86 C ATOM 632 C ASN A 45 11.355 4.088 -8.507 1.00 1.68 C ATOM 633 O ASN A 45 11.245 3.531 -7.415 1.00 2.17 O ATOM 634 CB ASN A 45 13.415 4.861 -9.794 1.00 2.53 C ATOM 635 CG ASN A 45 12.956 5.406 -11.137 1.00 3.80 C ATOM 636 OD1 ASN A 45 12.768 6.613 -11.273 1.00 4.31 O ATOM 637 ND2 ASN A 45 12.778 4.561 -12.140 1.00 5.05 N ATOM 0 H ASN A 45 13.932 4.715 -7.349 1.00 1.65 H new ATOM 0 HA ASN A 45 11.886 6.098 -8.968 1.00 1.86 H new ATOM 0 HB2 ASN A 45 14.386 5.286 -9.540 1.00 2.53 H new ATOM 0 HB3 ASN A 45 13.549 3.781 -9.864 1.00 2.53 H new ATOM 0 HD21 ASN A 45 12.478 4.907 -13.051 1.00 5.05 H new ATOM 0 HD22 ASN A 45 12.941 3.564 -12.002 1.00 5.05 H new ATOM 644 N LEU A 46 10.585 3.721 -9.534 1.00 1.83 N ATOM 645 CA LEU A 46 9.596 2.651 -9.377 1.00 1.68 C ATOM 646 C LEU A 46 10.267 1.276 -9.475 1.00 1.62 C ATOM 647 O LEU A 46 9.832 0.412 -10.239 1.00 2.05 O ATOM 648 CB LEU A 46 8.441 2.802 -10.383 1.00 2.08 C ATOM 649 CG LEU A 46 7.693 4.143 -10.300 1.00 2.15 C ATOM 650 CD1 LEU A 46 6.346 4.035 -11.018 1.00 2.62 C ATOM 651 CD2 LEU A 46 7.392 4.576 -8.870 1.00 1.63 C ATOM 0 H LEU A 46 10.624 4.138 -10.464 1.00 1.83 H new ATOM 0 HA LEU A 46 9.159 2.734 -8.382 1.00 1.68 H new ATOM 0 HB2 LEU A 46 8.837 2.683 -11.392 1.00 2.08 H new ATOM 0 HB3 LEU A 46 7.729 1.993 -10.223 1.00 2.08 H new ATOM 0 HG LEU A 46 8.352 4.877 -10.763 1.00 2.15 H new ATOM 0 HD11 LEU A 46 5.822 4.989 -10.955 1.00 2.62 H new ATOM 0 HD12 LEU A 46 6.511 3.781 -12.065 1.00 2.62 H new ATOM 0 HD13 LEU A 46 5.744 3.258 -10.547 1.00 2.62 H new ATOM 0 HD21 LEU A 46 6.863 5.529 -8.882 1.00 1.63 H new ATOM 0 HD22 LEU A 46 6.771 3.823 -8.385 1.00 1.63 H new ATOM 0 HD23 LEU A 46 8.326 4.686 -8.319 1.00 1.63 H new ATOM 663 N ILE A 47 11.335 1.061 -8.709 1.00 1.41 N ATOM 664 CA ILE A 47 12.081 -0.183 -8.702 1.00 1.58 C ATOM 665 C ILE A 47 11.384 -1.123 -7.727 1.00 1.67 C ATOM 666 O ILE A 47 11.649 -1.154 -6.531 1.00 2.64 O ATOM 667 CB ILE A 47 13.568 0.090 -8.420 1.00 1.69 C ATOM 668 CG1 ILE A 47 14.129 0.801 -9.664 1.00 1.89 C ATOM 669 CG2 ILE A 47 14.350 -1.210 -8.188 1.00 2.11 C ATOM 670 CD1 ILE A 47 15.475 1.471 -9.413 1.00 2.73 C ATOM 0 H ILE A 47 11.707 1.761 -8.068 1.00 1.41 H new ATOM 0 HA ILE A 47 12.087 -0.679 -9.673 1.00 1.58 H new ATOM 0 HB ILE A 47 13.668 0.694 -7.518 1.00 1.69 H new ATOM 0 HG12 ILE A 47 14.235 0.077 -10.472 1.00 1.89 H new ATOM 0 HG13 ILE A 47 13.413 1.551 -10.000 1.00 1.89 H new ATOM 0 HG21 ILE A 47 15.396 -0.975 -7.992 1.00 2.11 H new ATOM 0 HG22 ILE A 47 13.930 -1.739 -7.332 1.00 2.11 H new ATOM 0 HG23 ILE A 47 14.279 -1.840 -9.075 1.00 2.11 H new ATOM 0 HD11 ILE A 47 15.817 1.955 -10.328 1.00 2.73 H new ATOM 0 HD12 ILE A 47 15.369 2.218 -8.626 1.00 2.73 H new ATOM 0 HD13 ILE A 47 16.203 0.721 -9.105 1.00 2.73 H new ATOM 682 N HIS A 48 10.443 -1.882 -8.275 1.00 1.51 N ATOM 683 CA HIS A 48 9.769 -2.984 -7.614 1.00 1.78 C ATOM 684 C HIS A 48 10.756 -4.151 -7.522 1.00 1.89 C ATOM 685 O HIS A 48 10.560 -5.179 -8.173 1.00 2.99 O ATOM 686 CB HIS A 48 8.544 -3.291 -8.481 1.00 2.78 C ATOM 687 CG HIS A 48 7.627 -4.418 -8.085 1.00 3.91 C ATOM 688 ND1 HIS A 48 7.641 -5.219 -6.953 1.00 4.44 N ATOM 689 CD2 HIS A 48 6.592 -4.830 -8.876 1.00 5.51 C ATOM 690 CE1 HIS A 48 6.635 -6.097 -7.080 1.00 5.89 C ATOM 691 NE2 HIS A 48 5.986 -5.884 -8.235 1.00 6.51 N ATOM 0 H HIS A 48 10.118 -1.738 -9.231 1.00 1.51 H new ATOM 0 HA HIS A 48 9.442 -2.769 -6.597 1.00 1.78 H new ATOM 0 HB2 HIS A 48 7.944 -2.383 -8.534 1.00 2.78 H new ATOM 0 HB3 HIS A 48 8.900 -3.497 -9.490 1.00 2.78 H new ATOM 0 HD1 HIS A 48 8.293 -5.153 -6.171 1.00 4.44 H new ATOM 0 HD2 HIS A 48 6.304 -4.407 -9.827 1.00 5.51 H new ATOM 0 HE1 HIS A 48 6.385 -6.862 -6.360 1.00 5.89 H new ATOM 700 N SER A 49 11.829 -3.986 -6.751 1.00 2.22 N ATOM 701 CA SER A 49 12.847 -5.004 -6.553 1.00 3.21 C ATOM 702 C SER A 49 12.337 -6.084 -5.597 1.00 3.50 C ATOM 703 O SER A 49 12.901 -6.309 -4.528 1.00 5.03 O ATOM 704 CB SER A 49 14.145 -4.342 -6.076 1.00 4.86 C ATOM 705 OG SER A 49 13.874 -3.224 -5.250 1.00 5.42 O ATOM 0 H SER A 49 12.014 -3.124 -6.239 1.00 2.22 H new ATOM 0 HA SER A 49 13.068 -5.506 -7.495 1.00 3.21 H new ATOM 0 HB2 SER A 49 14.746 -5.067 -5.527 1.00 4.86 H new ATOM 0 HB3 SER A 49 14.734 -4.027 -6.937 1.00 4.86 H new ATOM 0 HG SER A 49 13.114 -3.426 -4.665 1.00 5.42 H new ATOM 711 N GLY A 50 11.269 -6.762 -5.989 1.00 2.69 N ATOM 712 CA GLY A 50 10.666 -7.826 -5.228 1.00 3.46 C ATOM 713 C GLY A 50 9.416 -8.264 -5.959 1.00 2.56 C ATOM 714 O GLY A 50 9.123 -7.764 -7.049 1.00 2.69 O ATOM 0 H GLY A 50 10.791 -6.576 -6.871 1.00 2.69 H new ATOM 0 HA2 GLY A 50 11.359 -8.661 -5.122 1.00 3.46 H new ATOM 0 HA3 GLY A 50 10.421 -7.485 -4.222 1.00 3.46 H new ATOM 718 N ALA A 51 8.695 -9.207 -5.366 1.00 2.54 N ATOM 719 CA ALA A 51 7.357 -9.569 -5.767 1.00 1.86 C ATOM 720 C ALA A 51 6.467 -9.246 -4.576 1.00 1.62 C ATOM 721 O ALA A 51 6.898 -9.336 -3.425 1.00 2.79 O ATOM 722 CB ALA A 51 7.307 -11.041 -6.163 1.00 2.07 C ATOM 0 H ALA A 51 9.040 -9.750 -4.574 1.00 2.54 H new ATOM 0 HA ALA A 51 7.018 -9.019 -6.645 1.00 1.86 H new ATOM 0 HB1 ALA A 51 6.292 -11.303 -6.464 1.00 2.07 H new ATOM 0 HB2 ALA A 51 7.989 -11.217 -6.995 1.00 2.07 H new ATOM 0 HB3 ALA A 51 7.604 -11.657 -5.314 1.00 2.07 H new ATOM 728 N GLY A 52 5.235 -8.838 -4.851 1.00 0.89 N ATOM 729 CA GLY A 52 4.313 -8.386 -3.831 1.00 0.66 C ATOM 730 C GLY A 52 4.079 -6.886 -3.959 1.00 0.76 C ATOM 731 O GLY A 52 2.922 -6.475 -4.026 1.00 2.08 O ATOM 0 H GLY A 52 4.850 -8.813 -5.795 1.00 0.89 H new ATOM 0 HA2 GLY A 52 3.366 -8.918 -3.925 1.00 0.66 H new ATOM 0 HA3 GLY A 52 4.711 -8.616 -2.843 1.00 0.66 H new ATOM 735 N GLU A 53 5.107 -6.045 -4.102 1.00 0.74 N ATOM 736 CA GLU A 53 4.906 -4.637 -3.783 1.00 0.62 C ATOM 737 C GLU A 53 4.277 -3.885 -4.957 1.00 0.67 C ATOM 738 O GLU A 53 4.566 -4.173 -6.120 1.00 1.09 O ATOM 739 CB GLU A 53 6.227 -3.948 -3.402 1.00 0.88 C ATOM 740 CG GLU A 53 7.212 -4.812 -2.596 1.00 1.33 C ATOM 741 CD GLU A 53 8.274 -5.431 -3.486 1.00 2.45 C ATOM 742 OE1 GLU A 53 7.871 -6.060 -4.486 1.00 3.62 O ATOM 743 OE2 GLU A 53 9.470 -5.201 -3.222 1.00 3.08 O ATOM 0 H GLU A 53 6.042 -6.300 -4.421 1.00 0.74 H new ATOM 0 HA GLU A 53 4.229 -4.607 -2.929 1.00 0.62 H new ATOM 0 HB2 GLU A 53 6.722 -3.618 -4.315 1.00 0.88 H new ATOM 0 HB3 GLU A 53 5.997 -3.053 -2.823 1.00 0.88 H new ATOM 0 HG2 GLU A 53 7.690 -4.201 -1.830 1.00 1.33 H new ATOM 0 HG3 GLU A 53 6.665 -5.601 -2.079 1.00 1.33 H new ATOM 750 N ASN A 54 3.416 -2.915 -4.663 1.00 0.52 N ATOM 751 CA ASN A 54 3.047 -1.844 -5.585 1.00 0.61 C ATOM 752 C ASN A 54 3.426 -0.537 -4.888 1.00 0.47 C ATOM 753 O ASN A 54 3.665 -0.526 -3.678 1.00 0.69 O ATOM 754 CB ASN A 54 1.576 -1.906 -6.028 1.00 1.06 C ATOM 755 CG ASN A 54 0.580 -1.737 -4.893 1.00 1.02 C ATOM 756 OD1 ASN A 54 0.904 -1.203 -3.848 1.00 2.61 O ATOM 757 ND2 ASN A 54 -0.646 -2.205 -5.082 1.00 1.15 N ATOM 0 H ASN A 54 2.946 -2.850 -3.760 1.00 0.52 H new ATOM 0 HA ASN A 54 3.585 -1.940 -6.528 1.00 0.61 H new ATOM 0 HB2 ASN A 54 1.398 -1.129 -6.772 1.00 1.06 H new ATOM 0 HB3 ASN A 54 1.395 -2.863 -6.517 1.00 1.06 H new ATOM 0 HD21 ASN A 54 -1.343 -2.122 -4.342 1.00 1.15 H new ATOM 0 HD22 ASN A 54 -0.892 -2.648 -5.967 1.00 1.15 H new ATOM 764 N LEU A 55 3.585 0.530 -5.668 1.00 0.46 N ATOM 765 CA LEU A 55 4.258 1.743 -5.234 1.00 0.41 C ATOM 766 C LEU A 55 3.455 2.945 -5.728 1.00 0.41 C ATOM 767 O LEU A 55 2.646 2.804 -6.652 1.00 0.48 O ATOM 768 CB LEU A 55 5.679 1.799 -5.826 1.00 0.49 C ATOM 769 CG LEU A 55 6.492 0.485 -5.799 1.00 0.63 C ATOM 770 CD1 LEU A 55 7.713 0.616 -6.717 1.00 0.83 C ATOM 771 CD2 LEU A 55 6.967 0.114 -4.389 1.00 0.70 C ATOM 0 H LEU A 55 3.245 0.573 -6.629 1.00 0.46 H new ATOM 0 HA LEU A 55 4.330 1.755 -4.146 1.00 0.41 H new ATOM 0 HB2 LEU A 55 5.604 2.132 -6.861 1.00 0.49 H new ATOM 0 HB3 LEU A 55 6.243 2.560 -5.287 1.00 0.49 H new ATOM 0 HG LEU A 55 5.829 -0.308 -6.146 1.00 0.63 H new ATOM 0 HD11 LEU A 55 8.285 -0.312 -6.696 1.00 0.83 H new ATOM 0 HD12 LEU A 55 7.382 0.816 -7.736 1.00 0.83 H new ATOM 0 HD13 LEU A 55 8.341 1.437 -6.372 1.00 0.83 H new ATOM 0 HD21 LEU A 55 7.533 -0.817 -4.429 1.00 0.70 H new ATOM 0 HD22 LEU A 55 7.603 0.909 -3.998 1.00 0.70 H new ATOM 0 HD23 LEU A 55 6.104 -0.014 -3.736 1.00 0.70 H new ATOM 783 N ALA A 56 3.707 4.127 -5.171 1.00 0.41 N ATOM 784 CA ALA A 56 3.257 5.399 -5.716 1.00 0.42 C ATOM 785 C ALA A 56 4.244 6.491 -5.327 1.00 0.42 C ATOM 786 O ALA A 56 4.927 6.369 -4.307 1.00 0.55 O ATOM 787 CB ALA A 56 1.873 5.759 -5.172 1.00 0.53 C ATOM 0 H ALA A 56 4.242 4.226 -4.308 1.00 0.41 H new ATOM 0 HA ALA A 56 3.199 5.313 -6.801 1.00 0.42 H new ATOM 0 HB1 ALA A 56 1.554 6.713 -5.591 1.00 0.53 H new ATOM 0 HB2 ALA A 56 1.159 4.984 -5.451 1.00 0.53 H new ATOM 0 HB3 ALA A 56 1.918 5.837 -4.086 1.00 0.53 H new ATOM 793 N LYS A 57 4.249 7.576 -6.099 1.00 0.57 N ATOM 794 CA LYS A 57 4.864 8.846 -5.740 1.00 0.59 C ATOM 795 C LYS A 57 3.755 9.853 -5.463 1.00 0.79 C ATOM 796 O LYS A 57 2.639 9.692 -5.962 1.00 1.20 O ATOM 797 CB LYS A 57 5.770 9.346 -6.882 1.00 0.98 C ATOM 798 CG LYS A 57 5.025 9.453 -8.224 1.00 1.48 C ATOM 799 CD LYS A 57 5.999 9.786 -9.361 1.00 1.90 C ATOM 800 CE LYS A 57 5.243 9.831 -10.697 1.00 2.71 C ATOM 801 NZ LYS A 57 4.394 11.028 -10.857 1.00 4.07 N ATOM 0 H LYS A 57 3.811 7.593 -7.020 1.00 0.57 H new ATOM 0 HA LYS A 57 5.484 8.721 -4.852 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.177 10.322 -6.617 1.00 0.98 H new ATOM 0 HB3 LYS A 57 6.616 8.668 -6.993 1.00 0.98 H new ATOM 0 HG2 LYS A 57 4.516 8.514 -8.439 1.00 1.48 H new ATOM 0 HG3 LYS A 57 4.257 10.224 -8.159 1.00 1.48 H new ATOM 0 HD2 LYS A 57 6.479 10.746 -9.172 1.00 1.90 H new ATOM 0 HD3 LYS A 57 6.790 9.038 -9.405 1.00 1.90 H new ATOM 0 HE2 LYS A 57 5.964 9.796 -11.514 1.00 2.71 H new ATOM 0 HE3 LYS A 57 4.620 8.940 -10.782 1.00 2.71 H new ATOM 0 HZ1 LYS A 57 3.914 10.993 -11.779 1.00 4.07 H new ATOM 0 HZ2 LYS A 57 3.683 11.054 -10.098 1.00 4.07 H new ATOM 0 HZ3 LYS A 57 4.985 11.882 -10.807 1.00 4.07 H new ATOM 815 N GLY A 58 4.073 10.909 -4.719 1.00 0.80 N ATOM 816 CA GLY A 58 3.121 11.945 -4.378 1.00 1.27 C ATOM 817 C GLY A 58 3.839 13.264 -4.158 1.00 1.02 C ATOM 818 O GLY A 58 4.182 13.966 -5.107 1.00 1.61 O ATOM 0 H GLY A 58 5.006 11.065 -4.337 1.00 0.80 H new ATOM 0 HA2 GLY A 58 2.386 12.051 -5.176 1.00 1.27 H new ATOM 0 HA3 GLY A 58 2.575 11.665 -3.477 1.00 1.27 H new ATOM 822 N GLY A 59 4.053 13.580 -2.891 1.00 2.07 N ATOM 823 CA GLY A 59 4.487 14.876 -2.393 1.00 2.20 C ATOM 824 C GLY A 59 3.464 15.312 -1.361 1.00 2.36 C ATOM 825 O GLY A 59 2.722 14.449 -0.890 1.00 3.48 O ATOM 0 H GLY A 59 3.921 12.902 -2.141 1.00 2.07 H new ATOM 0 HA2 GLY A 59 5.480 14.807 -1.948 1.00 2.20 H new ATOM 0 HA3 GLY A 59 4.551 15.601 -3.205 1.00 2.20 H new ATOM 829 N GLY A 60 3.489 16.593 -0.986 1.00 2.25 N ATOM 830 CA GLY A 60 2.698 17.254 0.050 1.00 2.47 C ATOM 831 C GLY A 60 1.723 16.325 0.770 1.00 2.13 C ATOM 832 O GLY A 60 0.547 16.258 0.403 1.00 2.43 O ATOM 0 H GLY A 60 4.121 17.251 -1.442 1.00 2.25 H new ATOM 0 HA2 GLY A 60 3.373 17.695 0.783 1.00 2.47 H new ATOM 0 HA3 GLY A 60 2.138 18.073 -0.401 1.00 2.47 H new ATOM 836 N ASP A 61 2.255 15.578 1.743 1.00 3.09 N ATOM 837 CA ASP A 61 1.618 14.460 2.427 1.00 3.11 C ATOM 838 C ASP A 61 0.505 13.776 1.624 1.00 2.20 C ATOM 839 O ASP A 61 -0.664 13.792 1.992 1.00 2.13 O ATOM 840 CB ASP A 61 1.210 14.832 3.857 1.00 4.36 C ATOM 841 CG ASP A 61 -0.040 15.684 3.941 1.00 4.79 C ATOM 842 OD1 ASP A 61 0.037 16.873 3.573 1.00 4.91 O ATOM 843 OD2 ASP A 61 -1.072 15.173 4.423 1.00 5.77 O ATOM 0 H ASP A 61 3.198 15.752 2.091 1.00 3.09 H new ATOM 0 HA ASP A 61 2.380 13.685 2.510 1.00 3.11 H new ATOM 0 HB2 ASP A 61 1.052 13.917 4.428 1.00 4.36 H new ATOM 0 HB3 ASP A 61 2.033 15.366 4.331 1.00 4.36 H new ATOM 848 N PHE A 62 0.883 13.064 0.566 1.00 1.71 N ATOM 849 CA PHE A 62 -0.015 12.271 -0.271 1.00 1.17 C ATOM 850 C PHE A 62 -0.452 10.979 0.446 1.00 0.99 C ATOM 851 O PHE A 62 -0.180 9.872 0.005 1.00 1.77 O ATOM 852 CB PHE A 62 0.685 12.009 -1.610 1.00 0.94 C ATOM 853 CG PHE A 62 -0.076 11.148 -2.599 1.00 0.88 C ATOM 854 CD1 PHE A 62 -1.296 11.582 -3.142 1.00 2.61 C ATOM 855 CD2 PHE A 62 0.406 9.867 -2.916 1.00 1.85 C ATOM 856 CE1 PHE A 62 -2.024 10.736 -3.995 1.00 2.96 C ATOM 857 CE2 PHE A 62 -0.329 9.012 -3.749 1.00 1.71 C ATOM 858 CZ PHE A 62 -1.559 9.439 -4.271 1.00 1.51 C ATOM 0 H PHE A 62 1.854 13.021 0.257 1.00 1.71 H new ATOM 0 HA PHE A 62 -0.938 12.818 -0.464 1.00 1.17 H new ATOM 0 HB2 PHE A 62 0.896 12.969 -2.081 1.00 0.94 H new ATOM 0 HB3 PHE A 62 1.645 11.534 -1.409 1.00 0.94 H new ATOM 0 HD1 PHE A 62 -1.674 12.565 -2.904 1.00 2.61 H new ATOM 0 HD2 PHE A 62 1.353 9.538 -2.514 1.00 1.85 H new ATOM 0 HE1 PHE A 62 -2.944 11.084 -4.440 1.00 2.96 H new ATOM 0 HE2 PHE A 62 0.050 8.029 -3.988 1.00 1.71 H new ATOM 0 HZ PHE A 62 -2.147 8.772 -4.884 1.00 1.51 H new ATOM 868 N THR A 63 -1.137 11.143 1.574 1.00 1.52 N ATOM 869 CA THR A 63 -1.887 10.154 2.327 1.00 1.19 C ATOM 870 C THR A 63 -1.267 8.746 2.280 1.00 1.63 C ATOM 871 O THR A 63 -0.237 8.488 2.897 1.00 3.59 O ATOM 872 CB THR A 63 -3.403 10.347 2.014 1.00 0.75 C ATOM 873 OG1 THR A 63 -3.836 9.651 0.862 1.00 1.28 O ATOM 874 CG2 THR A 63 -3.726 11.808 1.676 1.00 1.01 C ATOM 0 H THR A 63 -1.182 12.058 2.022 1.00 1.52 H new ATOM 0 HA THR A 63 -1.812 10.312 3.403 1.00 1.19 H new ATOM 0 HB THR A 63 -3.895 9.983 2.916 1.00 0.75 H new ATOM 0 HG1 THR A 63 -4.726 9.969 0.603 1.00 1.28 H new ATOM 0 HG21 THR A 63 -4.791 11.905 1.463 1.00 1.01 H new ATOM 0 HG22 THR A 63 -3.465 12.443 2.522 1.00 1.01 H new ATOM 0 HG23 THR A 63 -3.152 12.115 0.802 1.00 1.01 H new ATOM 882 N GLY A 64 -1.926 7.863 1.559 1.00 0.49 N ATOM 883 CA GLY A 64 -1.619 6.466 1.301 1.00 0.45 C ATOM 884 C GLY A 64 -2.910 5.817 0.811 1.00 0.46 C ATOM 885 O GLY A 64 -2.927 5.121 -0.202 1.00 0.43 O ATOM 0 H GLY A 64 -2.787 8.135 1.085 1.00 0.49 H new ATOM 0 HA2 GLY A 64 -0.832 6.375 0.553 1.00 0.45 H new ATOM 0 HA3 GLY A 64 -1.258 5.976 2.205 1.00 0.45 H new ATOM 889 N ARG A 65 -4.032 6.160 1.451 1.00 0.57 N ATOM 890 CA ARG A 65 -5.371 5.881 0.955 1.00 0.58 C ATOM 891 C ARG A 65 -5.471 6.326 -0.509 1.00 0.50 C ATOM 892 O ARG A 65 -5.953 5.577 -1.358 1.00 0.45 O ATOM 893 CB ARG A 65 -6.436 6.545 1.859 1.00 0.75 C ATOM 894 CG ARG A 65 -7.780 5.816 1.696 1.00 1.17 C ATOM 895 CD ARG A 65 -8.968 6.350 2.507 1.00 1.47 C ATOM 896 NE ARG A 65 -10.143 5.446 2.439 1.00 2.22 N ATOM 897 CZ ARG A 65 -10.837 4.961 3.489 1.00 3.23 C ATOM 898 NH1 ARG A 65 -10.532 5.329 4.730 1.00 4.15 N ATOM 899 NH2 ARG A 65 -11.844 4.103 3.320 1.00 3.96 N ATOM 0 H ARG A 65 -4.028 6.649 2.346 1.00 0.57 H new ATOM 0 HA ARG A 65 -5.567 4.809 0.990 1.00 0.58 H new ATOM 0 HB2 ARG A 65 -6.116 6.510 2.900 1.00 0.75 H new ATOM 0 HB3 ARG A 65 -6.547 7.597 1.595 1.00 0.75 H new ATOM 0 HG2 ARG A 65 -8.052 5.841 0.641 1.00 1.17 H new ATOM 0 HG3 ARG A 65 -7.632 4.770 1.962 1.00 1.17 H new ATOM 0 HD2 ARG A 65 -8.668 6.476 3.547 1.00 1.47 H new ATOM 0 HD3 ARG A 65 -9.247 7.335 2.134 1.00 1.47 H new ATOM 0 HE ARG A 65 -10.456 5.165 1.510 1.00 2.22 H new ATOM 0 HH11 ARG A 65 -9.767 5.984 4.894 1.00 4.15 H new ATOM 0 HH12 ARG A 65 -11.063 4.957 5.517 1.00 4.15 H new ATOM 0 HH21 ARG A 65 -12.104 3.800 2.381 1.00 3.96 H new ATOM 0 HH22 ARG A 65 -12.354 3.750 4.129 1.00 3.96 H new ATOM 913 N ALA A 66 -5.003 7.538 -0.817 1.00 0.53 N ATOM 914 CA ALA A 66 -4.975 8.054 -2.183 1.00 0.54 C ATOM 915 C ALA A 66 -4.142 7.159 -3.103 1.00 0.46 C ATOM 916 O ALA A 66 -4.485 6.972 -4.266 1.00 0.46 O ATOM 917 CB ALA A 66 -4.428 9.480 -2.196 1.00 0.65 C ATOM 0 H ALA A 66 -4.633 8.188 -0.124 1.00 0.53 H new ATOM 0 HA ALA A 66 -5.998 8.059 -2.560 1.00 0.54 H new ATOM 0 HB1 ALA A 66 -4.412 9.854 -3.220 1.00 0.65 H new ATOM 0 HB2 ALA A 66 -5.066 10.120 -1.586 1.00 0.65 H new ATOM 0 HB3 ALA A 66 -3.416 9.485 -1.792 1.00 0.65 H new ATOM 923 N ALA A 67 -3.042 6.599 -2.601 1.00 0.47 N ATOM 924 CA ALA A 67 -2.209 5.707 -3.388 1.00 0.47 C ATOM 925 C ALA A 67 -3.014 4.462 -3.763 1.00 0.41 C ATOM 926 O ALA A 67 -3.087 4.106 -4.936 1.00 0.45 O ATOM 927 CB ALA A 67 -0.923 5.367 -2.632 1.00 0.54 C ATOM 0 H ALA A 67 -2.711 6.752 -1.648 1.00 0.47 H new ATOM 0 HA ALA A 67 -1.906 6.200 -4.312 1.00 0.47 H new ATOM 0 HB1 ALA A 67 -0.311 4.698 -3.237 1.00 0.54 H new ATOM 0 HB2 ALA A 67 -0.367 6.283 -2.429 1.00 0.54 H new ATOM 0 HB3 ALA A 67 -1.173 4.878 -1.690 1.00 0.54 H new ATOM 933 N VAL A 68 -3.679 3.826 -2.798 1.00 0.36 N ATOM 934 CA VAL A 68 -4.529 2.685 -3.130 1.00 0.33 C ATOM 935 C VAL A 68 -5.584 3.098 -4.154 1.00 0.32 C ATOM 936 O VAL A 68 -5.799 2.416 -5.152 1.00 0.35 O ATOM 937 CB VAL A 68 -5.165 2.027 -1.899 1.00 0.32 C ATOM 938 CG1 VAL A 68 -5.649 0.623 -2.291 1.00 0.35 C ATOM 939 CG2 VAL A 68 -4.177 1.885 -0.745 1.00 0.33 C ATOM 0 H VAL A 68 -3.648 4.072 -1.809 1.00 0.36 H new ATOM 0 HA VAL A 68 -3.887 1.922 -3.570 1.00 0.33 H new ATOM 0 HB VAL A 68 -5.986 2.663 -1.568 1.00 0.32 H new ATOM 0 HG11 VAL A 68 -6.104 0.140 -1.426 1.00 0.35 H new ATOM 0 HG12 VAL A 68 -6.384 0.702 -3.092 1.00 0.35 H new ATOM 0 HG13 VAL A 68 -4.802 0.029 -2.634 1.00 0.35 H new ATOM 0 HG21 VAL A 68 -4.674 1.414 0.103 1.00 0.33 H new ATOM 0 HG22 VAL A 68 -3.335 1.269 -1.061 1.00 0.33 H new ATOM 0 HG23 VAL A 68 -3.815 2.871 -0.452 1.00 0.33 H new ATOM 949 N GLN A 69 -6.225 4.241 -3.927 1.00 0.34 N ATOM 950 CA GLN A 69 -7.166 4.799 -4.879 1.00 0.40 C ATOM 951 C GLN A 69 -6.533 4.982 -6.264 1.00 0.46 C ATOM 952 O GLN A 69 -7.226 4.776 -7.257 1.00 0.51 O ATOM 953 CB GLN A 69 -7.723 6.115 -4.326 1.00 0.47 C ATOM 954 CG GLN A 69 -8.934 5.911 -3.417 1.00 0.58 C ATOM 955 CD GLN A 69 -9.141 7.137 -2.538 1.00 1.80 C ATOM 956 OE1 GLN A 69 -8.275 7.284 -1.553 1.00 2.90 O flip ATOM 957 NE2 GLN A 69 -10.008 7.975 -2.777 1.00 3.23 N flip ATOM 0 H GLN A 69 -6.104 4.800 -3.082 1.00 0.34 H new ATOM 0 HA GLN A 69 -7.990 4.098 -5.014 1.00 0.40 H new ATOM 0 HB2 GLN A 69 -6.940 6.630 -3.770 1.00 0.47 H new ATOM 0 HB3 GLN A 69 -8.003 6.763 -5.157 1.00 0.47 H new ATOM 0 HG2 GLN A 69 -9.824 5.731 -4.019 1.00 0.58 H new ATOM 0 HG3 GLN A 69 -8.787 5.028 -2.795 1.00 0.58 H new ATOM 0 HE21 GLN A 69 -10.661 7.828 -3.547 1.00 3.23 H new ATOM 0 HE22 GLN A 69 -10.075 8.817 -2.205 1.00 3.23 H new ATOM 966 N LEU A 70 -5.247 5.337 -6.383 1.00 0.49 N ATOM 967 CA LEU A 70 -4.629 5.451 -7.695 1.00 0.59 C ATOM 968 C LEU A 70 -4.676 4.064 -8.325 1.00 0.60 C ATOM 969 O LEU A 70 -5.199 3.897 -9.424 1.00 0.82 O ATOM 970 CB LEU A 70 -3.194 6.002 -7.579 1.00 0.74 C ATOM 971 CG LEU A 70 -2.342 5.852 -8.851 1.00 0.95 C ATOM 972 CD1 LEU A 70 -2.850 6.780 -9.957 1.00 1.80 C ATOM 973 CD2 LEU A 70 -0.875 6.169 -8.534 1.00 1.91 C ATOM 0 H LEU A 70 -4.630 5.545 -5.598 1.00 0.49 H new ATOM 0 HA LEU A 70 -5.163 6.160 -8.328 1.00 0.59 H new ATOM 0 HB2 LEU A 70 -3.245 7.058 -7.315 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -2.689 5.493 -6.758 1.00 0.74 H new ATOM 0 HG LEU A 70 -2.422 4.823 -9.202 1.00 0.95 H new ATOM 0 HD11 LEU A 70 -2.233 6.657 -10.847 1.00 1.80 H new ATOM 0 HD12 LEU A 70 -3.884 6.530 -10.195 1.00 1.80 H new ATOM 0 HD13 LEU A 70 -2.796 7.814 -9.618 1.00 1.80 H new ATOM 0 HD21 LEU A 70 -0.276 6.061 -9.438 1.00 1.91 H new ATOM 0 HD22 LEU A 70 -0.795 7.192 -8.166 1.00 1.91 H new ATOM 0 HD23 LEU A 70 -0.510 5.480 -7.773 1.00 1.91 H new ATOM 985 N TRP A 71 -4.162 3.075 -7.595 1.00 0.51 N ATOM 986 CA TRP A 71 -4.037 1.701 -8.056 1.00 0.52 C ATOM 987 C TRP A 71 -5.388 1.156 -8.514 1.00 0.52 C ATOM 988 O TRP A 71 -5.465 0.511 -9.558 1.00 0.67 O ATOM 989 CB TRP A 71 -3.414 0.847 -6.941 1.00 0.50 C ATOM 990 CG TRP A 71 -2.156 1.402 -6.334 1.00 0.50 C ATOM 991 CD1 TRP A 71 -1.370 2.350 -6.894 1.00 0.56 C ATOM 992 CD2 TRP A 71 -1.618 1.195 -4.990 1.00 0.44 C ATOM 993 NE1 TRP A 71 -0.475 2.813 -5.962 1.00 0.51 N ATOM 994 CE2 TRP A 71 -0.560 2.125 -4.772 1.00 0.44 C ATOM 995 CE3 TRP A 71 -1.955 0.355 -3.910 1.00 0.47 C ATOM 996 CZ2 TRP A 71 0.107 2.228 -3.541 1.00 0.46 C ATOM 997 CZ3 TRP A 71 -1.286 0.441 -2.677 1.00 0.53 C ATOM 998 CH2 TRP A 71 -0.269 1.390 -2.487 1.00 0.54 C ATOM 0 H TRP A 71 -3.814 3.214 -6.646 1.00 0.51 H new ATOM 0 HA TRP A 71 -3.377 1.664 -8.923 1.00 0.52 H new ATOM 0 HB2 TRP A 71 -4.153 0.717 -6.150 1.00 0.50 H new ATOM 0 HB3 TRP A 71 -3.198 -0.143 -7.342 1.00 0.50 H new ATOM 0 HD1 TRP A 71 -1.436 2.690 -7.917 1.00 0.56 H new ATOM 0 HE1 TRP A 71 0.178 3.578 -6.131 1.00 0.51 H new ATOM 0 HE3 TRP A 71 -2.745 -0.371 -4.032 1.00 0.47 H new ATOM 0 HZ2 TRP A 71 0.902 2.947 -3.410 1.00 0.46 H new ATOM 0 HZ3 TRP A 71 -1.556 -0.226 -1.872 1.00 0.53 H new ATOM 0 HH2 TRP A 71 0.222 1.473 -1.529 1.00 0.54 H new ATOM 1009 N VAL A 72 -6.434 1.411 -7.731 1.00 0.46 N ATOM 1010 CA VAL A 72 -7.790 0.990 -8.036 1.00 0.49 C ATOM 1011 C VAL A 72 -8.362 1.776 -9.213 1.00 0.57 C ATOM 1012 O VAL A 72 -9.096 1.199 -10.007 1.00 0.85 O ATOM 1013 CB VAL A 72 -8.680 1.116 -6.786 1.00 0.45 C ATOM 1014 CG1 VAL A 72 -10.164 0.865 -7.094 1.00 0.44 C ATOM 1015 CG2 VAL A 72 -8.242 0.091 -5.737 1.00 0.47 C ATOM 0 H VAL A 72 -6.357 1.925 -6.853 1.00 0.46 H new ATOM 0 HA VAL A 72 -7.767 -0.059 -8.333 1.00 0.49 H new ATOM 0 HB VAL A 72 -8.566 2.137 -6.421 1.00 0.45 H new ATOM 0 HG11 VAL A 72 -10.748 0.966 -6.179 1.00 0.44 H new ATOM 0 HG12 VAL A 72 -10.511 1.592 -7.828 1.00 0.44 H new ATOM 0 HG13 VAL A 72 -10.287 -0.141 -7.494 1.00 0.44 H new ATOM 0 HG21 VAL A 72 -8.873 0.182 -4.853 1.00 0.47 H new ATOM 0 HG22 VAL A 72 -8.337 -0.914 -6.148 1.00 0.47 H new ATOM 0 HG23 VAL A 72 -7.203 0.274 -5.461 1.00 0.47 H new ATOM 1025 N SER A 73 -8.105 3.086 -9.310 1.00 0.79 N ATOM 1026 CA SER A 73 -8.932 3.955 -10.143 1.00 1.29 C ATOM 1027 C SER A 73 -8.933 3.610 -11.634 1.00 1.20 C ATOM 1028 O SER A 73 -9.835 4.063 -12.344 1.00 1.50 O ATOM 1029 CB SER A 73 -8.692 5.438 -9.848 1.00 2.17 C ATOM 1030 OG SER A 73 -7.319 5.808 -9.875 1.00 1.89 O ATOM 0 H SER A 73 -7.341 3.559 -8.828 1.00 0.79 H new ATOM 0 HA SER A 73 -9.958 3.744 -9.843 1.00 1.29 H new ATOM 0 HB2 SER A 73 -9.236 6.038 -10.578 1.00 2.17 H new ATOM 0 HB3 SER A 73 -9.105 5.677 -8.868 1.00 2.17 H new ATOM 0 HG SER A 73 -6.762 5.002 -9.858 1.00 1.89 H new ATOM 1036 N GLU A 74 -8.009 2.770 -12.108 1.00 1.15 N ATOM 1037 CA GLU A 74 -8.155 2.024 -13.358 1.00 1.38 C ATOM 1038 C GLU A 74 -9.217 0.928 -13.131 1.00 0.91 C ATOM 1039 O GLU A 74 -8.971 -0.263 -13.315 1.00 1.01 O ATOM 1040 CB GLU A 74 -6.790 1.429 -13.743 1.00 1.85 C ATOM 1041 CG GLU A 74 -5.789 2.489 -14.227 1.00 3.05 C ATOM 1042 CD GLU A 74 -5.840 2.751 -15.726 1.00 4.05 C ATOM 1043 OE1 GLU A 74 -6.825 2.364 -16.393 1.00 4.91 O ATOM 1044 OE2 GLU A 74 -4.840 3.325 -16.208 1.00 4.57 O ATOM 0 H GLU A 74 -7.128 2.588 -11.627 1.00 1.15 H new ATOM 0 HA GLU A 74 -8.481 2.665 -14.177 1.00 1.38 H new ATOM 0 HB2 GLU A 74 -6.371 0.908 -12.882 1.00 1.85 H new ATOM 0 HB3 GLU A 74 -6.932 0.686 -14.528 1.00 1.85 H new ATOM 0 HG2 GLU A 74 -5.981 3.423 -13.699 1.00 3.05 H new ATOM 0 HG3 GLU A 74 -4.781 2.172 -13.958 1.00 3.05 H new ATOM 1051 N ARG A 75 -10.394 1.346 -12.668 1.00 0.92 N ATOM 1052 CA ARG A 75 -11.457 0.501 -12.162 1.00 0.77 C ATOM 1053 C ARG A 75 -12.384 0.055 -13.291 1.00 1.10 C ATOM 1054 O ARG A 75 -12.602 -1.149 -13.414 1.00 1.14 O ATOM 1055 CB ARG A 75 -12.217 1.202 -11.029 1.00 0.96 C ATOM 1056 CG ARG A 75 -13.010 0.186 -10.189 1.00 1.47 C ATOM 1057 CD ARG A 75 -13.989 0.851 -9.213 1.00 1.50 C ATOM 1058 NE ARG A 75 -15.031 1.594 -9.944 1.00 1.66 N ATOM 1059 CZ ARG A 75 -14.908 2.871 -10.335 1.00 2.73 C ATOM 1060 NH1 ARG A 75 -14.101 3.700 -9.676 1.00 3.41 N ATOM 1061 NH2 ARG A 75 -15.511 3.284 -11.444 1.00 4.24 N ATOM 0 H ARG A 75 -10.637 2.336 -12.637 1.00 0.92 H new ATOM 0 HA ARG A 75 -11.012 -0.401 -11.741 1.00 0.77 H new ATOM 0 HB2 ARG A 75 -11.514 1.737 -10.391 1.00 0.96 H new ATOM 0 HB3 ARG A 75 -12.897 1.944 -11.447 1.00 0.96 H new ATOM 0 HG2 ARG A 75 -13.563 -0.476 -10.856 1.00 1.47 H new ATOM 0 HG3 ARG A 75 -12.313 -0.437 -9.628 1.00 1.47 H new ATOM 0 HD2 ARG A 75 -14.452 0.093 -8.581 1.00 1.50 H new ATOM 0 HD3 ARG A 75 -13.448 1.529 -8.553 1.00 1.50 H new ATOM 0 HE ARG A 75 -15.899 1.107 -10.166 1.00 1.66 H new ATOM 0 HH11 ARG A 75 -13.573 3.365 -8.870 1.00 3.41 H new ATOM 0 HH12 ARG A 75 -14.011 4.670 -9.977 1.00 3.41 H new ATOM 0 HH21 ARG A 75 -16.066 2.630 -11.996 1.00 4.24 H new ATOM 0 HH22 ARG A 75 -15.419 4.255 -11.743 1.00 4.24 H new ATOM 1075 N PRO A 76 -12.937 0.958 -14.131 1.00 1.56 N ATOM 1076 CA PRO A 76 -13.669 0.521 -15.313 1.00 1.87 C ATOM 1077 C PRO A 76 -12.769 -0.322 -16.227 1.00 1.70 C ATOM 1078 O PRO A 76 -13.244 -1.144 -17.010 1.00 2.03 O ATOM 1079 CB PRO A 76 -14.171 1.790 -16.007 1.00 2.39 C ATOM 1080 CG PRO A 76 -13.185 2.858 -15.547 1.00 2.16 C ATOM 1081 CD PRO A 76 -12.861 2.418 -14.121 1.00 1.82 C ATOM 0 HA PRO A 76 -14.510 -0.120 -15.050 1.00 1.87 H new ATOM 0 HB2 PRO A 76 -14.169 1.682 -17.092 1.00 2.39 H new ATOM 0 HB3 PRO A 76 -15.192 2.032 -15.712 1.00 2.39 H new ATOM 0 HG2 PRO A 76 -12.295 2.886 -16.175 1.00 2.16 H new ATOM 0 HG3 PRO A 76 -13.625 3.855 -15.574 1.00 2.16 H new ATOM 0 HD2 PRO A 76 -11.869 2.756 -13.823 1.00 1.82 H new ATOM 0 HD3 PRO A 76 -13.570 2.842 -13.410 1.00 1.82 H new ATOM 1089 N SER A 77 -11.456 -0.130 -16.116 1.00 1.62 N ATOM 1090 CA SER A 77 -10.451 -0.840 -16.870 1.00 1.75 C ATOM 1091 C SER A 77 -10.093 -2.191 -16.243 1.00 1.55 C ATOM 1092 O SER A 77 -9.373 -2.963 -16.873 1.00 1.86 O ATOM 1093 CB SER A 77 -9.231 0.079 -16.988 1.00 2.31 C ATOM 1094 OG SER A 77 -9.299 1.180 -16.095 1.00 2.79 O ATOM 0 H SER A 77 -11.058 0.553 -15.471 1.00 1.62 H new ATOM 0 HA SER A 77 -10.837 -1.083 -17.860 1.00 1.75 H new ATOM 0 HB2 SER A 77 -8.326 -0.494 -16.787 1.00 2.31 H new ATOM 0 HB3 SER A 77 -9.154 0.448 -18.011 1.00 2.31 H new ATOM 0 HG SER A 77 -8.449 1.667 -16.111 1.00 2.79 H new ATOM 1100 N TYR A 78 -10.594 -2.527 -15.055 1.00 1.30 N ATOM 1101 CA TYR A 78 -10.672 -3.900 -14.606 1.00 1.22 C ATOM 1102 C TYR A 78 -12.096 -4.382 -14.895 1.00 1.17 C ATOM 1103 O TYR A 78 -13.041 -3.593 -14.883 1.00 1.36 O ATOM 1104 CB TYR A 78 -10.226 -3.996 -13.137 1.00 1.22 C ATOM 1105 CG TYR A 78 -11.290 -4.032 -12.052 1.00 0.90 C ATOM 1106 CD1 TYR A 78 -12.128 -5.158 -11.946 1.00 2.20 C ATOM 1107 CD2 TYR A 78 -11.259 -3.105 -10.991 1.00 2.02 C ATOM 1108 CE1 TYR A 78 -13.079 -5.245 -10.920 1.00 2.46 C ATOM 1109 CE2 TYR A 78 -12.141 -3.248 -9.904 1.00 2.07 C ATOM 1110 CZ TYR A 78 -13.066 -4.304 -9.881 1.00 1.49 C ATOM 1111 OH TYR A 78 -13.915 -4.455 -8.825 1.00 2.12 O ATOM 0 H TYR A 78 -10.955 -1.849 -14.383 1.00 1.30 H new ATOM 0 HA TYR A 78 -9.990 -4.565 -15.136 1.00 1.22 H new ATOM 0 HB2 TYR A 78 -9.618 -4.895 -13.034 1.00 1.22 H new ATOM 0 HB3 TYR A 78 -9.575 -3.146 -12.933 1.00 1.22 H new ATOM 0 HD1 TYR A 78 -12.037 -5.962 -12.661 1.00 2.20 H new ATOM 0 HD2 TYR A 78 -10.558 -2.284 -11.012 1.00 2.02 H new ATOM 0 HE1 TYR A 78 -13.818 -6.033 -10.930 1.00 2.46 H new ATOM 0 HE2 TYR A 78 -12.106 -2.544 -9.086 1.00 2.07 H new ATOM 0 HH TYR A 78 -13.781 -3.721 -8.190 1.00 2.12 H new ATOM 1121 N ASN A 79 -12.276 -5.667 -15.185 1.00 1.05 N ATOM 1122 CA ASN A 79 -13.600 -6.263 -15.308 1.00 1.01 C ATOM 1123 C ASN A 79 -13.438 -7.749 -15.017 1.00 1.08 C ATOM 1124 O ASN A 79 -12.398 -8.331 -15.344 1.00 1.84 O ATOM 1125 CB ASN A 79 -14.182 -5.998 -16.706 1.00 1.25 C ATOM 1126 CG ASN A 79 -15.619 -6.492 -16.886 1.00 1.46 C ATOM 1127 OD1 ASN A 79 -16.127 -7.313 -16.137 1.00 1.56 O ATOM 1128 ND2 ASN A 79 -16.336 -5.963 -17.872 1.00 2.58 N ATOM 0 H ASN A 79 -11.510 -6.322 -15.341 1.00 1.05 H new ATOM 0 HA ASN A 79 -14.307 -5.825 -14.604 1.00 1.01 H new ATOM 0 HB2 ASN A 79 -14.149 -4.927 -16.905 1.00 1.25 H new ATOM 0 HB3 ASN A 79 -13.547 -6.480 -17.450 1.00 1.25 H new ATOM 0 HD21 ASN A 79 -17.308 -6.242 -18.002 1.00 2.58 H new ATOM 0 HD22 ASN A 79 -15.914 -5.277 -18.498 1.00 2.58 H new ATOM 1135 N TYR A 80 -14.410 -8.358 -14.344 1.00 0.95 N ATOM 1136 CA TYR A 80 -14.477 -9.800 -14.229 1.00 1.09 C ATOM 1137 C TYR A 80 -15.017 -10.344 -15.564 1.00 1.44 C ATOM 1138 O TYR A 80 -14.579 -9.888 -16.624 1.00 2.46 O ATOM 1139 CB TYR A 80 -15.273 -10.173 -12.969 1.00 1.19 C ATOM 1140 CG TYR A 80 -14.815 -11.422 -12.232 1.00 1.34 C ATOM 1141 CD1 TYR A 80 -14.230 -12.507 -12.916 1.00 2.86 C ATOM 1142 CD2 TYR A 80 -15.019 -11.512 -10.843 1.00 1.41 C ATOM 1143 CE1 TYR A 80 -13.916 -13.688 -12.227 1.00 3.16 C ATOM 1144 CE2 TYR A 80 -14.727 -12.703 -10.158 1.00 1.47 C ATOM 1145 CZ TYR A 80 -14.200 -13.797 -10.859 1.00 1.96 C ATOM 1146 OH TYR A 80 -14.048 -15.009 -10.255 1.00 2.38 O ATOM 0 H TYR A 80 -15.165 -7.864 -13.868 1.00 0.95 H new ATOM 0 HA TYR A 80 -13.506 -10.272 -14.080 1.00 1.09 H new ATOM 0 HB2 TYR A 80 -15.233 -9.332 -12.277 1.00 1.19 H new ATOM 0 HB3 TYR A 80 -16.318 -10.305 -13.250 1.00 1.19 H new ATOM 0 HD1 TYR A 80 -14.023 -12.429 -13.973 1.00 2.86 H new ATOM 0 HD2 TYR A 80 -15.402 -10.661 -10.300 1.00 1.41 H new ATOM 0 HE1 TYR A 80 -13.456 -14.513 -12.751 1.00 3.16 H new ATOM 0 HE2 TYR A 80 -14.908 -12.776 -9.096 1.00 1.47 H new ATOM 0 HH TYR A 80 -14.280 -14.933 -9.306 1.00 2.38 H new ATOM 1156 N ALA A 81 -15.881 -11.361 -15.557 1.00 1.60 N ATOM 1157 CA ALA A 81 -16.619 -11.933 -16.666 1.00 1.85 C ATOM 1158 C ALA A 81 -15.729 -12.933 -17.394 1.00 2.02 C ATOM 1159 O ALA A 81 -16.065 -14.101 -17.585 1.00 2.38 O ATOM 1160 CB ALA A 81 -17.240 -10.857 -17.548 1.00 2.01 C ATOM 0 H ALA A 81 -16.096 -11.846 -14.686 1.00 1.60 H new ATOM 0 HA ALA A 81 -17.480 -12.492 -16.300 1.00 1.85 H new ATOM 0 HB1 ALA A 81 -17.784 -11.327 -18.367 1.00 2.01 H new ATOM 0 HB2 ALA A 81 -17.927 -10.253 -16.956 1.00 2.01 H new ATOM 0 HB3 ALA A 81 -16.454 -10.220 -17.953 1.00 2.01 H new ATOM 1166 N THR A 82 -14.570 -12.417 -17.772 1.00 1.92 N ATOM 1167 CA THR A 82 -13.471 -13.042 -18.477 1.00 2.16 C ATOM 1168 C THR A 82 -12.234 -13.032 -17.579 1.00 2.00 C ATOM 1169 O THR A 82 -11.336 -13.864 -17.720 1.00 2.12 O ATOM 1170 CB THR A 82 -13.229 -12.217 -19.741 1.00 2.53 C ATOM 1171 OG1 THR A 82 -12.703 -10.945 -19.410 1.00 2.64 O ATOM 1172 CG2 THR A 82 -14.563 -11.996 -20.457 1.00 2.76 C ATOM 0 H THR A 82 -14.357 -11.441 -17.567 1.00 1.92 H new ATOM 0 HA THR A 82 -13.691 -14.077 -18.739 1.00 2.16 H new ATOM 0 HB THR A 82 -12.524 -12.755 -20.375 1.00 2.53 H new ATOM 0 HG1 THR A 82 -12.552 -10.430 -20.230 1.00 2.64 H new ATOM 0 HG21 THR A 82 -14.398 -11.408 -21.360 1.00 2.76 H new ATOM 0 HG22 THR A 82 -14.996 -12.960 -20.725 1.00 2.76 H new ATOM 0 HG23 THR A 82 -15.247 -11.463 -19.796 1.00 2.76 H new ATOM 1180 N ASN A 83 -12.202 -12.068 -16.650 1.00 2.04 N ATOM 1181 CA ASN A 83 -11.308 -12.018 -15.509 1.00 1.95 C ATOM 1182 C ASN A 83 -9.928 -11.520 -15.914 1.00 1.89 C ATOM 1183 O ASN A 83 -8.925 -12.227 -15.785 1.00 2.03 O ATOM 1184 CB ASN A 83 -11.262 -13.380 -14.813 1.00 2.00 C ATOM 1185 CG ASN A 83 -10.595 -13.272 -13.461 1.00 2.07 C ATOM 1186 OD1 ASN A 83 -10.311 -12.179 -12.984 1.00 3.47 O ATOM 1187 ND2 ASN A 83 -10.296 -14.404 -12.857 1.00 1.69 N ATOM 0 H ASN A 83 -12.833 -11.268 -16.685 1.00 2.04 H new ATOM 0 HA ASN A 83 -11.694 -11.298 -14.788 1.00 1.95 H new ATOM 0 HB2 ASN A 83 -12.274 -13.766 -14.694 1.00 2.00 H new ATOM 0 HB3 ASN A 83 -10.720 -14.093 -15.435 1.00 2.00 H new ATOM 0 HD21 ASN A 83 -9.811 -14.391 -11.960 1.00 1.69 H new ATOM 0 HD22 ASN A 83 -10.550 -15.294 -13.287 1.00 1.69 H new ATOM 1194 N GLN A 84 -9.880 -10.299 -16.443 1.00 1.84 N ATOM 1195 CA GLN A 84 -8.682 -9.693 -17.002 1.00 1.92 C ATOM 1196 C GLN A 84 -8.789 -8.176 -16.876 1.00 1.81 C ATOM 1197 O GLN A 84 -9.895 -7.635 -16.926 1.00 2.18 O ATOM 1198 CB GLN A 84 -8.559 -10.052 -18.495 1.00 2.29 C ATOM 1199 CG GLN A 84 -8.264 -11.530 -18.802 1.00 2.26 C ATOM 1200 CD GLN A 84 -6.975 -12.026 -18.157 1.00 3.26 C ATOM 1201 OE1 GLN A 84 -6.916 -13.115 -17.587 1.00 4.11 O ATOM 1202 NE2 GLN A 84 -5.915 -11.231 -18.211 1.00 4.47 N ATOM 0 H GLN A 84 -10.697 -9.691 -16.494 1.00 1.84 H new ATOM 0 HA GLN A 84 -7.809 -10.062 -16.464 1.00 1.92 H new ATOM 0 HB2 GLN A 84 -9.487 -9.774 -18.995 1.00 2.29 H new ATOM 0 HB3 GLN A 84 -7.767 -9.444 -18.932 1.00 2.29 H new ATOM 0 HG2 GLN A 84 -9.097 -12.141 -18.454 1.00 2.26 H new ATOM 0 HG3 GLN A 84 -8.199 -11.665 -19.882 1.00 2.26 H new ATOM 0 HE21 GLN A 84 -5.976 -10.331 -18.686 1.00 4.47 H new ATOM 0 HE22 GLN A 84 -5.038 -11.520 -17.777 1.00 4.47 H new ATOM 1211 N CYS A 85 -7.647 -7.496 -16.775 1.00 1.73 N ATOM 1212 CA CYS A 85 -7.559 -6.075 -17.096 1.00 1.77 C ATOM 1213 C CYS A 85 -8.110 -5.891 -18.513 1.00 1.73 C ATOM 1214 O CYS A 85 -7.619 -6.529 -19.446 1.00 2.12 O ATOM 1215 CB CYS A 85 -6.102 -5.585 -17.012 1.00 1.88 C ATOM 1216 SG CYS A 85 -5.602 -4.931 -15.400 1.00 2.29 S ATOM 0 H CYS A 85 -6.766 -7.911 -16.471 1.00 1.73 H new ATOM 0 HA CYS A 85 -8.136 -5.488 -16.382 1.00 1.77 H new ATOM 0 HB2 CYS A 85 -5.442 -6.412 -17.272 1.00 1.88 H new ATOM 0 HB3 CYS A 85 -5.952 -4.810 -17.763 1.00 1.88 H new ATOM 1221 N VAL A 86 -9.126 -5.045 -18.675 1.00 1.73 N ATOM 1222 CA VAL A 86 -9.858 -4.863 -19.922 1.00 1.65 C ATOM 1223 C VAL A 86 -8.835 -4.313 -20.908 1.00 2.08 C ATOM 1224 O VAL A 86 -8.010 -3.515 -20.492 1.00 2.51 O ATOM 1225 CB VAL A 86 -10.953 -3.797 -19.692 1.00 1.50 C ATOM 1226 CG1 VAL A 86 -11.439 -3.084 -20.958 1.00 1.62 C ATOM 1227 CG2 VAL A 86 -12.109 -4.307 -18.837 1.00 1.35 C ATOM 0 H VAL A 86 -9.470 -4.452 -17.920 1.00 1.73 H new ATOM 0 HA VAL A 86 -10.321 -5.784 -20.277 1.00 1.65 H new ATOM 0 HB VAL A 86 -10.445 -3.023 -19.117 1.00 1.50 H new ATOM 0 HG11 VAL A 86 -12.206 -2.356 -20.694 1.00 1.62 H new ATOM 0 HG12 VAL A 86 -10.601 -2.573 -21.432 1.00 1.62 H new ATOM 0 HG13 VAL A 86 -11.856 -3.815 -21.650 1.00 1.62 H new ATOM 0 HG21 VAL A 86 -12.846 -3.514 -18.711 1.00 1.35 H new ATOM 0 HG22 VAL A 86 -12.576 -5.161 -19.328 1.00 1.35 H new ATOM 0 HG23 VAL A 86 -11.733 -4.611 -17.860 1.00 1.35 H new ATOM 1237 N GLY A 87 -8.858 -4.711 -22.181 1.00 2.20 N ATOM 1238 CA GLY A 87 -7.980 -4.175 -23.225 1.00 2.73 C ATOM 1239 C GLY A 87 -6.532 -3.958 -22.773 1.00 2.89 C ATOM 1240 O GLY A 87 -5.900 -2.963 -23.140 1.00 4.16 O ATOM 0 H GLY A 87 -9.498 -5.428 -22.523 1.00 2.20 H new ATOM 0 HA2 GLY A 87 -7.986 -4.857 -24.075 1.00 2.73 H new ATOM 0 HA3 GLY A 87 -8.386 -3.226 -23.575 1.00 2.73 H new ATOM 1244 N GLY A 88 -6.010 -4.881 -21.957 1.00 2.54 N ATOM 1245 CA GLY A 88 -4.696 -4.773 -21.339 1.00 3.42 C ATOM 1246 C GLY A 88 -4.457 -3.387 -20.738 1.00 2.92 C ATOM 1247 O GLY A 88 -3.393 -2.800 -20.935 1.00 3.60 O ATOM 0 H GLY A 88 -6.504 -5.738 -21.707 1.00 2.54 H new ATOM 0 HA2 GLY A 88 -4.599 -5.528 -20.559 1.00 3.42 H new ATOM 0 HA3 GLY A 88 -3.927 -4.983 -22.083 1.00 3.42 H new ATOM 1251 N LYS A 89 -5.431 -2.854 -20.004 1.00 2.60 N ATOM 1252 CA LYS A 89 -5.365 -1.515 -19.446 1.00 2.84 C ATOM 1253 C LYS A 89 -4.395 -1.517 -18.276 1.00 2.53 C ATOM 1254 O LYS A 89 -3.941 -2.568 -17.814 1.00 2.67 O ATOM 1255 CB LYS A 89 -6.741 -1.035 -19.016 1.00 4.00 C ATOM 1256 CG LYS A 89 -7.551 -0.759 -20.284 1.00 4.69 C ATOM 1257 CD LYS A 89 -7.681 0.718 -20.629 1.00 5.71 C ATOM 1258 CE LYS A 89 -6.381 1.477 -20.888 1.00 6.04 C ATOM 1259 NZ LYS A 89 -6.658 2.895 -21.183 1.00 6.87 N ATOM 0 H LYS A 89 -6.295 -3.348 -19.780 1.00 2.60 H new ATOM 0 HA LYS A 89 -5.008 -0.822 -20.208 1.00 2.84 H new ATOM 0 HB2 LYS A 89 -7.235 -1.788 -18.402 1.00 4.00 H new ATOM 0 HB3 LYS A 89 -6.660 -0.133 -18.409 1.00 4.00 H new ATOM 0 HG2 LYS A 89 -7.083 -1.277 -21.121 1.00 4.69 H new ATOM 0 HG3 LYS A 89 -8.548 -1.182 -20.165 1.00 4.69 H new ATOM 0 HD2 LYS A 89 -8.310 0.807 -21.515 1.00 5.71 H new ATOM 0 HD3 LYS A 89 -8.208 1.213 -19.813 1.00 5.71 H new ATOM 0 HE2 LYS A 89 -5.730 1.402 -20.017 1.00 6.04 H new ATOM 0 HE3 LYS A 89 -5.849 1.023 -21.724 1.00 6.04 H new ATOM 0 HZ1 LYS A 89 -5.763 3.395 -21.356 1.00 6.87 H new ATOM 0 HZ2 LYS A 89 -7.261 2.962 -22.027 1.00 6.87 H new ATOM 0 HZ3 LYS A 89 -7.146 3.329 -20.374 1.00 6.87 H new ATOM 1273 N LYS A 90 -4.065 -0.333 -17.784 1.00 2.84 N ATOM 1274 CA LYS A 90 -2.912 -0.145 -16.923 1.00 2.63 C ATOM 1275 C LYS A 90 -3.298 -0.293 -15.453 1.00 2.36 C ATOM 1276 O LYS A 90 -2.766 0.384 -14.574 1.00 2.73 O ATOM 1277 CB LYS A 90 -2.225 1.168 -17.300 1.00 3.19 C ATOM 1278 CG LYS A 90 -1.862 1.114 -18.791 1.00 3.57 C ATOM 1279 CD LYS A 90 -1.016 2.321 -19.187 1.00 4.32 C ATOM 1280 CE LYS A 90 -0.432 2.088 -20.582 1.00 5.11 C ATOM 1281 NZ LYS A 90 0.380 3.233 -21.028 1.00 5.95 N ATOM 0 H LYS A 90 -4.589 0.522 -17.971 1.00 2.84 H new ATOM 0 HA LYS A 90 -2.170 -0.929 -17.075 1.00 2.63 H new ATOM 0 HB2 LYS A 90 -2.885 2.012 -17.101 1.00 3.19 H new ATOM 0 HB3 LYS A 90 -1.329 1.314 -16.697 1.00 3.19 H new ATOM 0 HG2 LYS A 90 -1.315 0.195 -19.004 1.00 3.57 H new ATOM 0 HG3 LYS A 90 -2.772 1.089 -19.391 1.00 3.57 H new ATOM 0 HD2 LYS A 90 -1.625 3.225 -19.181 1.00 4.32 H new ATOM 0 HD3 LYS A 90 -0.214 2.471 -18.464 1.00 4.32 H new ATOM 0 HE2 LYS A 90 0.182 1.187 -20.574 1.00 5.11 H new ATOM 0 HE3 LYS A 90 -1.241 1.917 -21.292 1.00 5.11 H new ATOM 0 HZ1 LYS A 90 0.760 3.041 -21.977 1.00 5.95 H new ATOM 0 HZ2 LYS A 90 -0.212 4.087 -21.059 1.00 5.95 H new ATOM 0 HZ3 LYS A 90 1.166 3.381 -20.364 1.00 5.95 H new ATOM 1295 N CYS A 91 -4.109 -1.318 -15.186 1.00 2.20 N ATOM 1296 CA CYS A 91 -4.575 -1.700 -13.859 1.00 1.97 C ATOM 1297 C CYS A 91 -3.618 -2.755 -13.306 1.00 1.45 C ATOM 1298 O CYS A 91 -4.001 -3.614 -12.514 1.00 2.22 O ATOM 1299 CB CYS A 91 -6.038 -2.204 -13.886 1.00 2.54 C ATOM 1300 SG CYS A 91 -6.672 -3.146 -15.295 1.00 2.96 S ATOM 0 H CYS A 91 -4.471 -1.927 -15.920 1.00 2.20 H new ATOM 0 HA CYS A 91 -4.576 -0.828 -13.205 1.00 1.97 H new ATOM 0 HB2 CYS A 91 -6.180 -2.822 -12.999 1.00 2.54 H new ATOM 0 HB3 CYS A 91 -6.679 -1.330 -13.771 1.00 2.54 H new ATOM 1305 N ARG A 92 -2.330 -2.660 -13.650 1.00 1.16 N ATOM 1306 CA ARG A 92 -1.263 -3.531 -13.156 1.00 0.90 C ATOM 1307 C ARG A 92 -0.819 -3.043 -11.770 1.00 0.87 C ATOM 1308 O ARG A 92 0.368 -2.950 -11.479 1.00 1.60 O ATOM 1309 CB ARG A 92 -0.120 -3.531 -14.196 1.00 1.12 C ATOM 1310 CG ARG A 92 1.055 -4.499 -13.959 1.00 1.30 C ATOM 1311 CD ARG A 92 0.606 -5.952 -13.757 1.00 1.30 C ATOM 1312 NE ARG A 92 1.553 -6.950 -14.309 1.00 1.82 N ATOM 1313 CZ ARG A 92 1.852 -7.115 -15.612 1.00 3.19 C ATOM 1314 NH1 ARG A 92 1.233 -6.349 -16.513 1.00 4.58 N ATOM 1315 NH2 ARG A 92 2.750 -8.016 -16.019 1.00 3.63 N ATOM 0 H ARG A 92 -1.992 -1.951 -14.301 1.00 1.16 H new ATOM 0 HA ARG A 92 -1.601 -4.560 -13.035 1.00 0.90 H new ATOM 0 HB2 ARG A 92 -0.552 -3.758 -15.171 1.00 1.12 H new ATOM 0 HB3 ARG A 92 0.283 -2.520 -14.253 1.00 1.12 H new ATOM 0 HG2 ARG A 92 1.735 -4.450 -14.809 1.00 1.30 H new ATOM 0 HG3 ARG A 92 1.616 -4.173 -13.083 1.00 1.30 H new ATOM 0 HD2 ARG A 92 0.476 -6.138 -12.691 1.00 1.30 H new ATOM 0 HD3 ARG A 92 -0.368 -6.091 -14.226 1.00 1.30 H new ATOM 0 HE ARG A 92 2.019 -7.566 -13.643 1.00 1.82 H new ATOM 0 HH11 ARG A 92 0.549 -5.656 -16.209 1.00 4.58 H new ATOM 0 HH12 ARG A 92 1.444 -6.457 -17.505 1.00 4.58 H new ATOM 0 HH21 ARG A 92 3.230 -8.602 -15.336 1.00 3.63 H new ATOM 0 HH22 ARG A 92 2.956 -8.118 -17.013 1.00 3.63 H new ATOM 1329 N HIS A 93 -1.784 -2.713 -10.914 1.00 0.58 N ATOM 1330 CA HIS A 93 -1.583 -2.301 -9.533 1.00 0.57 C ATOM 1331 C HIS A 93 -2.827 -2.718 -8.753 1.00 0.56 C ATOM 1332 O HIS A 93 -2.706 -3.381 -7.727 1.00 0.54 O ATOM 1333 CB HIS A 93 -1.344 -0.789 -9.410 1.00 0.73 C ATOM 1334 CG HIS A 93 -0.017 -0.247 -9.889 1.00 0.78 C ATOM 1335 ND1 HIS A 93 1.210 -0.851 -9.761 1.00 1.15 N flip ATOM 1336 CD2 HIS A 93 0.186 1.049 -10.334 1.00 0.86 C flip ATOM 1337 CE1 HIS A 93 2.147 0.093 -10.135 1.00 1.34 C flip ATOM 1338 NE2 HIS A 93 1.510 1.233 -10.457 1.00 1.16 N flip ATOM 0 H HIS A 93 -2.769 -2.727 -11.179 1.00 0.58 H new ATOM 0 HA HIS A 93 -0.690 -2.781 -9.132 1.00 0.57 H new ATOM 0 HB2 HIS A 93 -2.134 -0.279 -9.961 1.00 0.73 H new ATOM 0 HB3 HIS A 93 -1.459 -0.515 -8.361 1.00 0.73 H new ATOM 0 HD2 HIS A 93 -0.582 1.779 -10.544 1.00 0.86 H new ATOM 0 HE1 HIS A 93 3.216 -0.059 -10.164 1.00 1.34 H new ATOM 0 HE2 HIS A 93 1.961 2.100 -10.748 1.00 1.16 H new ATOM 1347 N TYR A 94 -4.013 -2.372 -9.270 1.00 0.63 N ATOM 1348 CA TYR A 94 -5.290 -2.936 -8.836 1.00 0.49 C ATOM 1349 C TYR A 94 -5.160 -4.443 -8.612 1.00 0.45 C ATOM 1350 O TYR A 94 -5.596 -4.945 -7.580 1.00 0.39 O ATOM 1351 CB TYR A 94 -6.375 -2.654 -9.884 1.00 0.54 C ATOM 1352 CG TYR A 94 -7.565 -3.595 -9.825 1.00 0.73 C ATOM 1353 CD1 TYR A 94 -8.475 -3.513 -8.755 1.00 1.53 C ATOM 1354 CD2 TYR A 94 -7.651 -4.667 -10.734 1.00 2.72 C ATOM 1355 CE1 TYR A 94 -9.480 -4.484 -8.613 1.00 1.41 C ATOM 1356 CE2 TYR A 94 -8.646 -5.645 -10.578 1.00 3.31 C ATOM 1357 CZ TYR A 94 -9.575 -5.541 -9.533 1.00 1.94 C ATOM 1358 OH TYR A 94 -10.578 -6.454 -9.419 1.00 2.56 O ATOM 0 H TYR A 94 -4.110 -1.681 -10.014 1.00 0.63 H new ATOM 0 HA TYR A 94 -5.574 -2.466 -7.894 1.00 0.49 H new ATOM 0 HB2 TYR A 94 -6.730 -1.631 -9.756 1.00 0.54 H new ATOM 0 HB3 TYR A 94 -5.929 -2.714 -10.877 1.00 0.54 H new ATOM 0 HD1 TYR A 94 -8.401 -2.704 -8.043 1.00 1.53 H new ATOM 0 HD2 TYR A 94 -6.950 -4.737 -11.553 1.00 2.72 H new ATOM 0 HE1 TYR A 94 -10.181 -4.418 -7.794 1.00 1.41 H new ATOM 0 HE2 TYR A 94 -8.696 -6.478 -11.263 1.00 3.31 H new ATOM 0 HH TYR A 94 -11.379 -6.118 -9.872 1.00 2.56 H new ATOM 1368 N THR A 95 -4.548 -5.152 -9.566 1.00 0.54 N ATOM 1369 CA THR A 95 -4.296 -6.579 -9.451 1.00 0.55 C ATOM 1370 C THR A 95 -3.790 -6.935 -8.051 1.00 0.46 C ATOM 1371 O THR A 95 -4.268 -7.890 -7.451 1.00 0.50 O ATOM 1372 CB THR A 95 -3.270 -7.001 -10.514 1.00 0.76 C ATOM 1373 OG1 THR A 95 -2.203 -6.066 -10.562 1.00 0.96 O ATOM 1374 CG2 THR A 95 -3.909 -7.100 -11.900 1.00 0.96 C ATOM 0 H THR A 95 -4.215 -4.744 -10.440 1.00 0.54 H new ATOM 0 HA THR A 95 -5.230 -7.116 -9.614 1.00 0.55 H new ATOM 0 HB THR A 95 -2.892 -7.984 -10.233 1.00 0.76 H new ATOM 0 HG1 THR A 95 -1.371 -6.531 -10.789 1.00 0.96 H new ATOM 0 HG21 THR A 95 -3.155 -7.401 -12.628 1.00 0.96 H new ATOM 0 HG22 THR A 95 -4.709 -7.840 -11.880 1.00 0.96 H new ATOM 0 HG23 THR A 95 -4.319 -6.130 -12.182 1.00 0.96 H new ATOM 1382 N GLN A 96 -2.820 -6.173 -7.538 1.00 0.47 N ATOM 1383 CA GLN A 96 -2.211 -6.457 -6.254 1.00 0.47 C ATOM 1384 C GLN A 96 -3.200 -6.187 -5.126 1.00 0.43 C ATOM 1385 O GLN A 96 -3.328 -6.991 -4.208 1.00 0.53 O ATOM 1386 CB GLN A 96 -0.934 -5.634 -6.054 1.00 0.65 C ATOM 1387 CG GLN A 96 -0.179 -6.105 -4.806 1.00 1.06 C ATOM 1388 CD GLN A 96 0.155 -7.594 -4.856 1.00 0.92 C ATOM 1389 OE1 GLN A 96 0.555 -8.088 -5.906 1.00 2.10 O ATOM 1390 NE2 GLN A 96 -0.092 -8.323 -3.773 1.00 0.87 N ATOM 0 H GLN A 96 -2.443 -5.348 -8.005 1.00 0.47 H new ATOM 0 HA GLN A 96 -1.938 -7.512 -6.236 1.00 0.47 H new ATOM 0 HB2 GLN A 96 -0.293 -5.728 -6.931 1.00 0.65 H new ATOM 0 HB3 GLN A 96 -1.187 -4.578 -5.956 1.00 0.65 H new ATOM 0 HG2 GLN A 96 0.743 -5.532 -4.704 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -0.781 -5.900 -3.921 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -0.424 -7.873 -2.920 1.00 0.87 H new ATOM 0 HE22 GLN A 96 0.050 -9.333 -3.795 1.00 0.87 H new ATOM 1399 N VAL A 97 -3.877 -5.041 -5.191 1.00 0.41 N ATOM 1400 CA VAL A 97 -4.864 -4.647 -4.196 1.00 0.40 C ATOM 1401 C VAL A 97 -5.857 -5.798 -4.015 1.00 0.40 C ATOM 1402 O VAL A 97 -6.143 -6.260 -2.907 1.00 0.57 O ATOM 1403 CB VAL A 97 -5.556 -3.349 -4.652 1.00 0.41 C ATOM 1404 CG1 VAL A 97 -6.634 -2.891 -3.671 1.00 0.45 C ATOM 1405 CG2 VAL A 97 -4.534 -2.218 -4.777 1.00 0.48 C ATOM 0 H VAL A 97 -3.753 -4.360 -5.940 1.00 0.41 H new ATOM 0 HA VAL A 97 -4.394 -4.446 -3.233 1.00 0.40 H new ATOM 0 HB VAL A 97 -6.019 -3.570 -5.614 1.00 0.41 H new ATOM 0 HG11 VAL A 97 -7.092 -1.972 -4.037 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -7.396 -3.665 -3.580 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -6.184 -2.708 -2.695 1.00 0.45 H new ATOM 0 HG21 VAL A 97 -5.037 -1.307 -5.100 1.00 0.48 H new ATOM 0 HG22 VAL A 97 -4.060 -2.047 -3.810 1.00 0.48 H new ATOM 0 HG23 VAL A 97 -3.775 -2.493 -5.510 1.00 0.48 H new ATOM 1415 N VAL A 98 -6.333 -6.302 -5.146 1.00 0.33 N ATOM 1416 CA VAL A 98 -7.336 -7.339 -5.206 1.00 0.39 C ATOM 1417 C VAL A 98 -6.744 -8.737 -5.064 1.00 0.55 C ATOM 1418 O VAL A 98 -7.505 -9.693 -5.017 1.00 1.00 O ATOM 1419 CB VAL A 98 -8.191 -7.117 -6.471 1.00 0.42 C ATOM 1420 CG1 VAL A 98 -8.047 -8.201 -7.545 1.00 0.62 C ATOM 1421 CG2 VAL A 98 -9.654 -7.002 -6.057 1.00 0.43 C ATOM 0 H VAL A 98 -6.020 -5.989 -6.065 1.00 0.33 H new ATOM 0 HA VAL A 98 -8.001 -7.270 -4.345 1.00 0.39 H new ATOM 0 HB VAL A 98 -7.823 -6.201 -6.933 1.00 0.42 H new ATOM 0 HG11 VAL A 98 -8.685 -7.958 -8.395 1.00 0.62 H new ATOM 0 HG12 VAL A 98 -7.009 -8.252 -7.874 1.00 0.62 H new ATOM 0 HG13 VAL A 98 -8.344 -9.165 -7.131 1.00 0.62 H new ATOM 0 HG21 VAL A 98 -10.271 -6.845 -6.942 1.00 0.43 H new ATOM 0 HG22 VAL A 98 -9.964 -7.920 -5.557 1.00 0.43 H new ATOM 0 HG23 VAL A 98 -9.774 -6.159 -5.376 1.00 0.43 H new ATOM 1431 N TRP A 99 -5.421 -8.883 -4.956 1.00 0.40 N ATOM 1432 CA TRP A 99 -4.809 -10.194 -5.053 1.00 0.43 C ATOM 1433 C TRP A 99 -5.275 -11.088 -3.905 1.00 0.44 C ATOM 1434 O TRP A 99 -4.905 -10.868 -2.751 1.00 0.51 O ATOM 1435 CB TRP A 99 -3.285 -10.098 -5.158 1.00 0.49 C ATOM 1436 CG TRP A 99 -2.620 -11.286 -5.773 1.00 0.59 C ATOM 1437 CD1 TRP A 99 -2.328 -12.435 -5.133 1.00 0.82 C ATOM 1438 CD2 TRP A 99 -2.159 -11.469 -7.142 1.00 0.68 C ATOM 1439 NE1 TRP A 99 -1.720 -13.317 -6.000 1.00 0.90 N ATOM 1440 CE2 TRP A 99 -1.589 -12.771 -7.259 1.00 0.76 C ATOM 1441 CE3 TRP A 99 -2.132 -10.655 -8.294 1.00 0.90 C ATOM 1442 CZ2 TRP A 99 -1.006 -13.223 -8.451 1.00 0.87 C ATOM 1443 CZ3 TRP A 99 -1.642 -11.139 -9.522 1.00 1.09 C ATOM 1444 CH2 TRP A 99 -1.032 -12.404 -9.587 1.00 1.04 C ATOM 0 H TRP A 99 -4.767 -8.115 -4.803 1.00 0.40 H new ATOM 0 HA TRP A 99 -5.141 -10.665 -5.978 1.00 0.43 H new ATOM 0 HB2 TRP A 99 -3.031 -9.214 -5.743 1.00 0.49 H new ATOM 0 HB3 TRP A 99 -2.875 -9.947 -4.159 1.00 0.49 H new ATOM 0 HD1 TRP A 99 -2.539 -12.635 -4.093 1.00 0.82 H new ATOM 0 HE1 TRP A 99 -1.407 -14.253 -5.743 1.00 0.90 H new ATOM 0 HE3 TRP A 99 -2.495 -9.640 -8.233 1.00 0.90 H new ATOM 0 HZ2 TRP A 99 -0.540 -14.196 -8.493 1.00 0.87 H new ATOM 0 HZ3 TRP A 99 -1.735 -10.538 -10.415 1.00 1.09 H new ATOM 0 HH2 TRP A 99 -0.585 -12.743 -10.510 1.00 1.04 H new ATOM 1455 N ARG A 100 -6.114 -12.066 -4.230 1.00 0.49 N ATOM 1456 CA ARG A 100 -6.710 -13.014 -3.319 1.00 0.53 C ATOM 1457 C ARG A 100 -5.605 -13.670 -2.510 1.00 0.56 C ATOM 1458 O ARG A 100 -5.592 -13.564 -1.285 1.00 0.79 O ATOM 1459 CB ARG A 100 -7.553 -14.016 -4.127 1.00 0.60 C ATOM 1460 CG ARG A 100 -8.332 -14.992 -3.229 1.00 0.78 C ATOM 1461 CD ARG A 100 -8.281 -16.449 -3.716 1.00 1.61 C ATOM 1462 NE ARG A 100 -8.447 -16.604 -5.174 1.00 2.98 N ATOM 1463 CZ ARG A 100 -9.552 -16.357 -5.891 1.00 4.00 C ATOM 1464 NH1 ARG A 100 -10.653 -15.867 -5.322 1.00 4.26 N ATOM 1465 NH2 ARG A 100 -9.563 -16.609 -7.197 1.00 5.64 N ATOM 0 H ARG A 100 -6.408 -12.220 -5.195 1.00 0.49 H new ATOM 0 HA ARG A 100 -7.383 -12.530 -2.611 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.254 -13.470 -4.758 1.00 0.60 H new ATOM 0 HB3 ARG A 100 -6.900 -14.582 -4.792 1.00 0.60 H new ATOM 0 HG2 ARG A 100 -7.930 -14.941 -2.217 1.00 0.78 H new ATOM 0 HG3 ARG A 100 -9.372 -14.672 -3.175 1.00 0.78 H new ATOM 0 HD2 ARG A 100 -7.327 -16.886 -3.422 1.00 1.61 H new ATOM 0 HD3 ARG A 100 -9.061 -17.017 -3.210 1.00 1.61 H new ATOM 0 HE ARG A 100 -7.633 -16.935 -5.692 1.00 2.98 H new ATOM 0 HH11 ARG A 100 -10.666 -15.672 -4.321 1.00 4.26 H new ATOM 0 HH12 ARG A 100 -11.482 -15.687 -5.888 1.00 4.26 H new ATOM 0 HH21 ARG A 100 -8.732 -16.989 -7.650 1.00 5.64 H new ATOM 0 HH22 ARG A 100 -10.402 -16.422 -7.745 1.00 5.64 H new ATOM 1479 N ASN A 101 -4.642 -14.303 -3.180 1.00 0.51 N ATOM 1480 CA ASN A 101 -3.568 -15.013 -2.489 1.00 0.54 C ATOM 1481 C ASN A 101 -2.475 -14.045 -2.010 1.00 1.04 C ATOM 1482 O ASN A 101 -1.290 -14.301 -2.204 1.00 2.25 O ATOM 1483 CB ASN A 101 -3.015 -16.139 -3.373 1.00 0.79 C ATOM 1484 CG ASN A 101 -2.397 -17.254 -2.531 1.00 1.27 C ATOM 1485 OD1 ASN A 101 -2.906 -18.368 -2.513 1.00 1.86 O ATOM 1486 ND2 ASN A 101 -1.299 -16.997 -1.832 1.00 2.20 N ATOM 0 H ASN A 101 -4.584 -14.338 -4.198 1.00 0.51 H new ATOM 0 HA ASN A 101 -3.978 -15.478 -1.592 1.00 0.54 H new ATOM 0 HB2 ASN A 101 -3.816 -16.547 -3.989 1.00 0.79 H new ATOM 0 HB3 ASN A 101 -2.265 -15.735 -4.053 1.00 0.79 H new ATOM 0 HD21 ASN A 101 -0.868 -17.732 -1.271 1.00 2.20 H new ATOM 0 HD22 ASN A 101 -0.886 -16.065 -1.856 1.00 2.20 H new ATOM 1493 N SER A 102 -2.876 -12.911 -1.442 1.00 0.59 N ATOM 1494 CA SER A 102 -2.059 -11.973 -0.701 1.00 0.76 C ATOM 1495 C SER A 102 -3.008 -11.455 0.376 1.00 0.89 C ATOM 1496 O SER A 102 -3.980 -10.765 0.062 1.00 1.20 O ATOM 1497 CB SER A 102 -1.557 -10.829 -1.588 1.00 0.98 C ATOM 1498 OG SER A 102 -0.736 -11.292 -2.646 1.00 2.14 O ATOM 0 H SER A 102 -3.849 -12.609 -1.495 1.00 0.59 H new ATOM 0 HA SER A 102 -1.157 -12.433 -0.297 1.00 0.76 H new ATOM 0 HB2 SER A 102 -2.410 -10.291 -2.001 1.00 0.98 H new ATOM 0 HB3 SER A 102 -0.997 -10.119 -0.980 1.00 0.98 H new ATOM 0 HG SER A 102 -1.299 -11.615 -3.380 1.00 2.14 H new ATOM 1504 N VAL A 103 -2.794 -11.869 1.618 1.00 0.77 N ATOM 1505 CA VAL A 103 -3.718 -11.644 2.724 1.00 0.79 C ATOM 1506 C VAL A 103 -3.040 -10.888 3.866 1.00 0.61 C ATOM 1507 O VAL A 103 -3.689 -10.536 4.856 1.00 0.71 O ATOM 1508 CB VAL A 103 -4.314 -12.986 3.172 1.00 0.98 C ATOM 1509 CG1 VAL A 103 -5.258 -13.509 2.086 1.00 1.24 C ATOM 1510 CG2 VAL A 103 -3.234 -14.039 3.467 1.00 1.02 C ATOM 0 H VAL A 103 -1.956 -12.382 1.891 1.00 0.77 H new ATOM 0 HA VAL A 103 -4.538 -11.009 2.390 1.00 0.79 H new ATOM 0 HB VAL A 103 -4.858 -12.811 4.100 1.00 0.98 H new ATOM 0 HG11 VAL A 103 -5.683 -14.462 2.401 1.00 1.24 H new ATOM 0 HG12 VAL A 103 -6.061 -12.790 1.924 1.00 1.24 H new ATOM 0 HG13 VAL A 103 -4.703 -13.648 1.158 1.00 1.24 H new ATOM 0 HG21 VAL A 103 -3.709 -14.969 3.780 1.00 1.02 H new ATOM 0 HG22 VAL A 103 -2.644 -14.217 2.568 1.00 1.02 H new ATOM 0 HG23 VAL A 103 -2.582 -13.679 4.263 1.00 1.02 H new ATOM 1520 N ARG A 104 -1.738 -10.649 3.734 1.00 0.59 N ATOM 1521 CA ARG A 104 -0.963 -9.782 4.591 1.00 0.54 C ATOM 1522 C ARG A 104 -0.745 -8.482 3.812 1.00 0.49 C ATOM 1523 O ARG A 104 -0.545 -8.544 2.591 1.00 0.59 O ATOM 1524 CB ARG A 104 0.362 -10.490 4.893 1.00 0.60 C ATOM 1525 CG ARG A 104 0.147 -11.905 5.466 1.00 0.95 C ATOM 1526 CD ARG A 104 1.395 -12.474 6.159 1.00 1.71 C ATOM 1527 NE ARG A 104 2.149 -13.416 5.312 1.00 2.47 N ATOM 1528 CZ ARG A 104 2.105 -14.756 5.382 1.00 3.44 C ATOM 1529 NH1 ARG A 104 1.093 -15.373 5.989 1.00 3.97 N ATOM 1530 NH2 ARG A 104 3.087 -15.464 4.832 1.00 4.59 N ATOM 0 H ARG A 104 -1.180 -11.075 2.995 1.00 0.59 H new ATOM 0 HA ARG A 104 -1.455 -9.559 5.538 1.00 0.54 H new ATOM 0 HB2 ARG A 104 0.954 -10.555 3.980 1.00 0.60 H new ATOM 0 HB3 ARG A 104 0.936 -9.895 5.603 1.00 0.60 H new ATOM 0 HG2 ARG A 104 -0.677 -11.880 6.179 1.00 0.95 H new ATOM 0 HG3 ARG A 104 -0.150 -12.575 4.659 1.00 0.95 H new ATOM 0 HD2 ARG A 104 2.049 -11.652 6.448 1.00 1.71 H new ATOM 0 HD3 ARG A 104 1.095 -12.980 7.076 1.00 1.71 H new ATOM 0 HE ARG A 104 2.763 -13.011 4.605 1.00 2.47 H new ATOM 0 HH11 ARG A 104 0.340 -14.827 6.407 1.00 3.97 H new ATOM 0 HH12 ARG A 104 1.071 -16.392 6.036 1.00 3.97 H new ATOM 0 HH21 ARG A 104 3.859 -14.988 4.365 1.00 4.59 H new ATOM 0 HH22 ARG A 104 3.068 -16.483 4.877 1.00 4.59 H new ATOM 1544 N LEU A 105 -0.839 -7.336 4.479 1.00 0.45 N ATOM 1545 CA LEU A 105 -0.590 -6.019 3.921 1.00 0.42 C ATOM 1546 C LEU A 105 0.174 -5.149 4.917 1.00 0.44 C ATOM 1547 O LEU A 105 -0.258 -4.962 6.057 1.00 0.70 O ATOM 1548 CB LEU A 105 -1.937 -5.363 3.605 1.00 0.53 C ATOM 1549 CG LEU A 105 -1.811 -3.964 2.986 1.00 0.65 C ATOM 1550 CD1 LEU A 105 -0.985 -3.995 1.703 1.00 1.71 C ATOM 1551 CD2 LEU A 105 -3.211 -3.438 2.672 1.00 1.98 C ATOM 0 H LEU A 105 -1.102 -7.303 5.464 1.00 0.45 H new ATOM 0 HA LEU A 105 0.010 -6.118 3.017 1.00 0.42 H new ATOM 0 HB2 LEU A 105 -2.492 -6.005 2.921 1.00 0.53 H new ATOM 0 HB3 LEU A 105 -2.522 -5.294 4.522 1.00 0.53 H new ATOM 0 HG LEU A 105 -1.305 -3.313 3.698 1.00 0.65 H new ATOM 0 HD11 LEU A 105 -0.915 -2.988 1.291 1.00 1.71 H new ATOM 0 HD12 LEU A 105 0.016 -4.367 1.923 1.00 1.71 H new ATOM 0 HD13 LEU A 105 -1.464 -4.652 0.977 1.00 1.71 H new ATOM 0 HD21 LEU A 105 -3.136 -2.444 2.231 1.00 1.98 H new ATOM 0 HD22 LEU A 105 -3.703 -4.110 1.969 1.00 1.98 H new ATOM 0 HD23 LEU A 105 -3.794 -3.384 3.591 1.00 1.98 H new ATOM 1563 N GLY A 106 1.275 -4.551 4.466 1.00 0.42 N ATOM 1564 CA GLY A 106 2.081 -3.679 5.288 1.00 0.44 C ATOM 1565 C GLY A 106 2.692 -2.614 4.393 1.00 0.41 C ATOM 1566 O GLY A 106 3.400 -2.934 3.439 1.00 0.49 O ATOM 0 H GLY A 106 1.626 -4.664 3.515 1.00 0.42 H new ATOM 0 HA2 GLY A 106 1.471 -3.218 6.065 1.00 0.44 H new ATOM 0 HA3 GLY A 106 2.863 -4.247 5.791 1.00 0.44 H new ATOM 1570 N CYS A 107 2.388 -1.345 4.665 1.00 0.41 N ATOM 1571 CA CYS A 107 2.735 -0.232 3.791 1.00 0.41 C ATOM 1572 C CYS A 107 3.565 0.798 4.540 1.00 0.42 C ATOM 1573 O CYS A 107 3.656 0.743 5.767 1.00 0.54 O ATOM 1574 CB CYS A 107 1.462 0.403 3.223 1.00 0.57 C ATOM 1575 SG CYS A 107 0.227 -0.749 2.567 1.00 1.18 S ATOM 0 H CYS A 107 1.889 -1.061 5.508 1.00 0.41 H new ATOM 0 HA CYS A 107 3.335 -0.609 2.963 1.00 0.41 H new ATOM 0 HB2 CYS A 107 0.995 0.998 4.008 1.00 0.57 H new ATOM 0 HB3 CYS A 107 1.747 1.092 2.428 1.00 0.57 H new ATOM 1580 N GLY A 108 4.173 1.736 3.816 1.00 0.48 N ATOM 1581 CA GLY A 108 5.062 2.735 4.381 1.00 0.59 C ATOM 1582 C GLY A 108 5.154 3.953 3.465 1.00 0.67 C ATOM 1583 O GLY A 108 4.937 3.824 2.258 1.00 1.47 O ATOM 0 H GLY A 108 4.057 1.820 2.806 1.00 0.48 H new ATOM 0 HA2 GLY A 108 4.699 3.039 5.363 1.00 0.59 H new ATOM 0 HA3 GLY A 108 6.054 2.307 4.526 1.00 0.59 H new ATOM 1587 N ARG A 109 5.473 5.112 4.048 1.00 0.62 N ATOM 1588 CA ARG A 109 5.604 6.416 3.416 1.00 0.55 C ATOM 1589 C ARG A 109 7.022 6.944 3.719 1.00 0.55 C ATOM 1590 O ARG A 109 7.366 7.119 4.893 1.00 0.88 O ATOM 1591 CB ARG A 109 4.509 7.353 3.981 1.00 0.79 C ATOM 1592 CG ARG A 109 4.013 8.372 2.941 1.00 0.83 C ATOM 1593 CD ARG A 109 3.547 9.701 3.542 1.00 1.43 C ATOM 1594 NE ARG A 109 2.302 9.578 4.320 1.00 1.31 N ATOM 1595 CZ ARG A 109 1.305 10.470 4.355 1.00 2.17 C ATOM 1596 NH1 ARG A 109 1.156 11.394 3.412 1.00 3.57 N ATOM 1597 NH2 ARG A 109 0.437 10.445 5.353 1.00 3.09 N ATOM 0 H ARG A 109 5.659 5.160 5.050 1.00 0.62 H new ATOM 0 HA ARG A 109 5.472 6.360 2.335 1.00 0.55 H new ATOM 0 HB2 ARG A 109 3.667 6.755 4.329 1.00 0.79 H new ATOM 0 HB3 ARG A 109 4.902 7.885 4.848 1.00 0.79 H new ATOM 0 HG2 ARG A 109 4.815 8.569 2.229 1.00 0.83 H new ATOM 0 HG3 ARG A 109 3.190 7.931 2.380 1.00 0.83 H new ATOM 0 HD2 ARG A 109 4.333 10.098 4.185 1.00 1.43 H new ATOM 0 HD3 ARG A 109 3.397 10.423 2.739 1.00 1.43 H new ATOM 0 HE ARG A 109 2.190 8.735 4.884 1.00 1.31 H new ATOM 0 HH11 ARG A 109 1.812 11.438 2.632 1.00 3.57 H new ATOM 0 HH12 ARG A 109 0.385 12.060 3.468 1.00 3.57 H new ATOM 0 HH21 ARG A 109 0.529 9.748 6.092 1.00 3.09 H new ATOM 0 HH22 ARG A 109 -0.324 11.123 5.384 1.00 3.09 H new ATOM 1611 N ALA A 110 7.843 7.201 2.693 1.00 0.49 N ATOM 1612 CA ALA A 110 9.211 7.716 2.796 1.00 0.71 C ATOM 1613 C ALA A 110 9.353 8.976 1.942 1.00 0.73 C ATOM 1614 O ALA A 110 8.993 8.969 0.767 1.00 0.89 O ATOM 1615 CB ALA A 110 10.208 6.668 2.297 1.00 0.92 C ATOM 0 H ALA A 110 7.557 7.048 1.726 1.00 0.49 H new ATOM 0 HA ALA A 110 9.418 7.948 3.841 1.00 0.71 H new ATOM 0 HB1 ALA A 110 11.221 7.062 2.378 1.00 0.92 H new ATOM 0 HB2 ALA A 110 10.120 5.765 2.901 1.00 0.92 H new ATOM 0 HB3 ALA A 110 9.994 6.429 1.255 1.00 0.92 H new ATOM 1621 N ARG A 111 9.860 10.069 2.508 1.00 0.72 N ATOM 1622 CA ARG A 111 9.888 11.370 1.852 1.00 0.65 C ATOM 1623 C ARG A 111 11.120 11.487 0.951 1.00 0.61 C ATOM 1624 O ARG A 111 11.999 12.313 1.194 1.00 1.30 O ATOM 1625 CB ARG A 111 9.907 12.446 2.954 1.00 1.02 C ATOM 1626 CG ARG A 111 9.715 13.898 2.483 1.00 1.43 C ATOM 1627 CD ARG A 111 10.229 14.883 3.549 1.00 2.25 C ATOM 1628 NE ARG A 111 11.674 14.703 3.791 1.00 3.74 N ATOM 1629 CZ ARG A 111 12.440 15.371 4.667 1.00 5.06 C ATOM 1630 NH1 ARG A 111 11.978 16.437 5.320 1.00 5.24 N ATOM 1631 NH2 ARG A 111 13.681 14.937 4.882 1.00 6.67 N ATOM 0 H ARG A 111 10.266 10.074 3.444 1.00 0.72 H new ATOM 0 HA ARG A 111 9.011 11.499 1.218 1.00 0.65 H new ATOM 0 HB2 ARG A 111 9.124 12.213 3.675 1.00 1.02 H new ATOM 0 HB3 ARG A 111 10.858 12.379 3.483 1.00 1.02 H new ATOM 0 HG2 ARG A 111 10.249 14.056 1.546 1.00 1.43 H new ATOM 0 HG3 ARG A 111 8.660 14.086 2.285 1.00 1.43 H new ATOM 0 HD2 ARG A 111 10.037 15.906 3.225 1.00 2.25 H new ATOM 0 HD3 ARG A 111 9.681 14.735 4.479 1.00 2.25 H new ATOM 0 HE ARG A 111 12.142 13.992 3.230 1.00 3.74 H new ATOM 0 HH11 ARG A 111 11.024 16.760 5.158 1.00 5.24 H new ATOM 0 HH12 ARG A 111 12.578 16.929 5.982 1.00 5.24 H new ATOM 0 HH21 ARG A 111 14.027 14.116 4.386 1.00 6.67 H new ATOM 0 HH22 ARG A 111 14.285 15.426 5.543 1.00 6.67 H new ATOM 1645 N CYS A 112 11.206 10.694 -0.105 1.00 1.05 N ATOM 1646 CA CYS A 112 12.324 10.816 -1.030 1.00 0.98 C ATOM 1647 C CYS A 112 12.355 12.166 -1.735 1.00 1.09 C ATOM 1648 O CYS A 112 11.362 12.882 -1.841 1.00 1.46 O ATOM 1649 CB CYS A 112 12.339 9.719 -2.095 1.00 1.57 C ATOM 1650 SG CYS A 112 12.091 8.014 -1.581 1.00 2.34 S ATOM 0 H CYS A 112 10.528 9.970 -0.342 1.00 1.05 H new ATOM 0 HA CYS A 112 13.209 10.714 -0.401 1.00 0.98 H new ATOM 0 HB2 CYS A 112 11.568 9.959 -2.828 1.00 1.57 H new ATOM 0 HB3 CYS A 112 13.297 9.773 -2.611 1.00 1.57 H new ATOM 1655 N ASN A 113 13.532 12.499 -2.243 1.00 1.20 N ATOM 1656 CA ASN A 113 13.810 13.574 -3.183 1.00 1.86 C ATOM 1657 C ASN A 113 12.813 13.551 -4.349 1.00 2.31 C ATOM 1658 O ASN A 113 11.720 14.106 -4.250 1.00 3.14 O ATOM 1659 CB ASN A 113 15.289 13.491 -3.625 1.00 2.05 C ATOM 1660 CG ASN A 113 15.778 12.090 -4.013 1.00 2.89 C ATOM 1661 OD1 ASN A 113 14.994 11.223 -4.390 1.00 4.11 O ATOM 1662 ND2 ASN A 113 17.071 11.838 -3.908 1.00 3.16 N ATOM 0 H ASN A 113 14.378 11.988 -1.991 1.00 1.20 H new ATOM 0 HA ASN A 113 13.671 14.543 -2.703 1.00 1.86 H new ATOM 0 HB2 ASN A 113 15.435 14.158 -4.475 1.00 2.05 H new ATOM 0 HB3 ASN A 113 15.915 13.865 -2.815 1.00 2.05 H new ATOM 0 HD21 ASN A 113 17.431 10.913 -4.142 1.00 3.16 H new ATOM 0 HD22 ASN A 113 17.709 12.569 -3.593 1.00 3.16 H new ATOM 1669 N ASN A 114 13.149 12.891 -5.450 1.00 2.19 N ATOM 1670 CA ASN A 114 12.333 12.833 -6.651 1.00 2.73 C ATOM 1671 C ASN A 114 11.180 11.851 -6.515 1.00 3.72 C ATOM 1672 O ASN A 114 10.292 11.826 -7.365 1.00 4.31 O ATOM 1673 CB ASN A 114 13.206 12.455 -7.844 1.00 2.47 C ATOM 1674 CG ASN A 114 13.765 11.046 -7.707 1.00 3.01 C ATOM 1675 OD1 ASN A 114 14.924 10.874 -7.350 1.00 4.10 O ATOM 1676 ND2 ASN A 114 12.958 10.022 -7.957 1.00 3.33 N ATOM 0 H ASN A 114 14.021 12.368 -5.532 1.00 2.19 H new ATOM 0 HA ASN A 114 11.899 13.821 -6.806 1.00 2.73 H new ATOM 0 HB2 ASN A 114 12.621 12.527 -8.761 1.00 2.47 H new ATOM 0 HB3 ASN A 114 14.028 13.166 -7.934 1.00 2.47 H new ATOM 0 HD21 ASN A 114 13.299 9.066 -7.853 1.00 3.33 H new ATOM 0 HD22 ASN A 114 11.997 10.191 -8.253 1.00 3.33 H new ATOM 1683 N GLY A 115 11.196 11.005 -5.487 1.00 4.10 N ATOM 1684 CA GLY A 115 10.041 10.190 -5.156 1.00 5.12 C ATOM 1685 C GLY A 115 9.008 10.997 -4.367 1.00 3.78 C ATOM 1686 O GLY A 115 7.919 10.487 -4.107 1.00 4.43 O ATOM 0 H GLY A 115 11.998 10.870 -4.872 1.00 4.10 H new ATOM 0 HA2 GLY A 115 9.587 9.807 -6.070 1.00 5.12 H new ATOM 0 HA3 GLY A 115 10.357 9.326 -4.571 1.00 5.12 H new ATOM 1690 N TRP A 116 9.326 12.250 -4.006 1.00 2.04 N ATOM 1691 CA TRP A 116 8.492 13.101 -3.185 1.00 1.06 C ATOM 1692 C TRP A 116 8.066 12.321 -1.939 1.00 0.86 C ATOM 1693 O TRP A 116 8.903 11.671 -1.320 1.00 1.05 O ATOM 1694 CB TRP A 116 7.396 13.630 -4.096 1.00 0.99 C ATOM 1695 CG TRP A 116 7.833 14.651 -5.098 1.00 1.18 C ATOM 1696 CD1 TRP A 116 8.199 15.916 -4.798 1.00 1.70 C ATOM 1697 CD2 TRP A 116 7.887 14.551 -6.554 1.00 1.21 C ATOM 1698 NE1 TRP A 116 8.422 16.618 -5.960 1.00 1.93 N ATOM 1699 CE2 TRP A 116 8.247 15.828 -7.076 1.00 1.60 C ATOM 1700 CE3 TRP A 116 7.659 13.517 -7.490 1.00 1.35 C ATOM 1701 CZ2 TRP A 116 8.346 16.072 -8.452 1.00 1.81 C ATOM 1702 CZ3 TRP A 116 7.680 13.769 -8.874 1.00 1.71 C ATOM 1703 CH2 TRP A 116 8.045 15.039 -9.355 1.00 1.79 C ATOM 0 H TRP A 116 10.196 12.699 -4.292 1.00 2.04 H new ATOM 0 HA TRP A 116 8.988 13.980 -2.772 1.00 1.06 H new ATOM 0 HB2 TRP A 116 6.952 12.789 -4.629 1.00 0.99 H new ATOM 0 HB3 TRP A 116 6.611 14.065 -3.477 1.00 0.99 H new ATOM 0 HD1 TRP A 116 8.301 16.315 -3.800 1.00 1.70 H new ATOM 0 HE1 TRP A 116 8.685 17.603 -5.992 1.00 1.93 H new ATOM 0 HE3 TRP A 116 7.465 12.515 -7.136 1.00 1.35 H new ATOM 0 HZ2 TRP A 116 8.650 17.043 -8.814 1.00 1.81 H new ATOM 0 HZ3 TRP A 116 7.415 12.985 -9.568 1.00 1.71 H new ATOM 0 HH2 TRP A 116 8.094 15.220 -10.419 1.00 1.79 H new ATOM 1714 N TRP A 117 6.778 12.269 -1.603 1.00 0.77 N ATOM 1715 CA TRP A 117 6.365 11.286 -0.622 1.00 0.75 C ATOM 1716 C TRP A 117 6.180 10.020 -1.426 1.00 0.70 C ATOM 1717 O TRP A 117 5.191 9.872 -2.140 1.00 1.05 O ATOM 1718 CB TRP A 117 5.099 11.692 0.135 1.00 0.91 C ATOM 1719 CG TRP A 117 5.372 12.444 1.399 1.00 1.16 C ATOM 1720 CD1 TRP A 117 5.099 13.745 1.616 1.00 1.51 C ATOM 1721 CD2 TRP A 117 6.016 11.967 2.623 1.00 1.24 C ATOM 1722 NE1 TRP A 117 5.449 14.079 2.902 1.00 1.73 N ATOM 1723 CE2 TRP A 117 6.027 13.028 3.574 1.00 1.61 C ATOM 1724 CE3 TRP A 117 6.601 10.747 3.025 1.00 1.20 C ATOM 1725 CZ2 TRP A 117 6.562 12.886 4.862 1.00 1.87 C ATOM 1726 CZ3 TRP A 117 7.134 10.588 4.318 1.00 1.53 C ATOM 1727 CH2 TRP A 117 7.123 11.654 5.235 1.00 1.84 C ATOM 0 H TRP A 117 6.040 12.866 -1.977 1.00 0.77 H new ATOM 0 HA TRP A 117 7.103 11.168 0.171 1.00 0.75 H new ATOM 0 HB2 TRP A 117 4.478 12.306 -0.516 1.00 0.91 H new ATOM 0 HB3 TRP A 117 4.524 10.797 0.372 1.00 0.91 H new ATOM 0 HD1 TRP A 117 4.671 14.421 0.891 1.00 1.51 H new ATOM 0 HE1 TRP A 117 5.297 15.001 3.311 1.00 1.73 H new ATOM 0 HE3 TRP A 117 6.640 9.922 2.329 1.00 1.20 H new ATOM 0 HZ2 TRP A 117 6.543 13.712 5.557 1.00 1.87 H new ATOM 0 HZ3 TRP A 117 7.556 9.637 4.609 1.00 1.53 H new ATOM 0 HH2 TRP A 117 7.544 11.526 6.221 1.00 1.84 H new ATOM 1738 N PHE A 118 7.169 9.145 -1.310 1.00 0.56 N ATOM 1739 CA PHE A 118 7.157 7.833 -1.929 1.00 0.53 C ATOM 1740 C PHE A 118 6.384 6.904 -1.013 1.00 0.48 C ATOM 1741 O PHE A 118 6.523 7.005 0.206 1.00 0.70 O ATOM 1742 CB PHE A 118 8.589 7.328 -2.102 1.00 0.64 C ATOM 1743 CG PHE A 118 8.723 6.127 -3.017 1.00 0.77 C ATOM 1744 CD1 PHE A 118 8.688 4.830 -2.474 1.00 1.46 C ATOM 1745 CD2 PHE A 118 9.024 6.297 -4.380 1.00 2.26 C ATOM 1746 CE1 PHE A 118 9.033 3.725 -3.267 1.00 1.48 C ATOM 1747 CE2 PHE A 118 9.428 5.193 -5.154 1.00 2.42 C ATOM 1748 CZ PHE A 118 9.428 3.906 -4.600 1.00 1.18 C ATOM 0 H PHE A 118 8.016 9.333 -0.773 1.00 0.56 H new ATOM 0 HA PHE A 118 6.690 7.874 -2.913 1.00 0.53 H new ATOM 0 HB2 PHE A 118 9.202 8.139 -2.495 1.00 0.64 H new ATOM 0 HB3 PHE A 118 8.991 7.070 -1.122 1.00 0.64 H new ATOM 0 HD1 PHE A 118 8.395 4.684 -1.445 1.00 1.46 H new ATOM 0 HD2 PHE A 118 8.945 7.274 -4.833 1.00 2.26 H new ATOM 0 HE1 PHE A 118 8.994 2.730 -2.848 1.00 1.48 H new ATOM 0 HE2 PHE A 118 9.739 5.338 -6.178 1.00 2.42 H new ATOM 0 HZ PHE A 118 9.731 3.058 -5.197 1.00 1.18 H new ATOM 1758 N ILE A 119 5.549 6.042 -1.580 1.00 0.52 N ATOM 1759 CA ILE A 119 4.740 5.094 -0.838 1.00 0.45 C ATOM 1760 C ILE A 119 4.974 3.726 -1.445 1.00 0.39 C ATOM 1761 O ILE A 119 4.946 3.590 -2.669 1.00 0.44 O ATOM 1762 CB ILE A 119 3.256 5.508 -0.862 1.00 0.49 C ATOM 1763 CG1 ILE A 119 3.099 6.674 0.120 1.00 0.72 C ATOM 1764 CG2 ILE A 119 2.313 4.360 -0.485 1.00 0.53 C ATOM 1765 CD1 ILE A 119 1.887 7.565 -0.149 1.00 0.76 C ATOM 0 H ILE A 119 5.415 5.984 -2.590 1.00 0.52 H new ATOM 0 HA ILE A 119 5.024 5.072 0.214 1.00 0.45 H new ATOM 0 HB ILE A 119 2.980 5.797 -1.876 1.00 0.49 H new ATOM 0 HG12 ILE A 119 3.024 6.274 1.131 1.00 0.72 H new ATOM 0 HG13 ILE A 119 4.000 7.286 0.086 1.00 0.72 H new ATOM 0 HG21 ILE A 119 1.281 4.710 -0.519 1.00 0.53 H new ATOM 0 HG22 ILE A 119 2.441 3.538 -1.190 1.00 0.53 H new ATOM 0 HG23 ILE A 119 2.546 4.014 0.522 1.00 0.53 H new ATOM 0 HD11 ILE A 119 1.851 8.364 0.591 1.00 0.76 H new ATOM 0 HD12 ILE A 119 1.968 7.998 -1.146 1.00 0.76 H new ATOM 0 HD13 ILE A 119 0.976 6.970 -0.084 1.00 0.76 H new ATOM 1777 N SER A 120 5.169 2.736 -0.581 1.00 0.51 N ATOM 1778 CA SER A 120 5.242 1.335 -0.937 1.00 0.56 C ATOM 1779 C SER A 120 4.190 0.619 -0.103 1.00 0.55 C ATOM 1780 O SER A 120 4.168 0.808 1.113 1.00 0.51 O ATOM 1781 CB SER A 120 6.641 0.799 -0.609 1.00 0.69 C ATOM 1782 OG SER A 120 7.619 1.572 -1.275 1.00 1.67 O ATOM 0 H SER A 120 5.284 2.899 0.419 1.00 0.51 H new ATOM 0 HA SER A 120 5.062 1.179 -2.001 1.00 0.56 H new ATOM 0 HB2 SER A 120 6.810 0.832 0.467 1.00 0.69 H new ATOM 0 HB3 SER A 120 6.721 -0.245 -0.913 1.00 0.69 H new ATOM 0 HG SER A 120 8.511 1.226 -1.061 1.00 1.67 H new ATOM 1788 N CYS A 121 3.342 -0.200 -0.720 1.00 0.85 N ATOM 1789 CA CYS A 121 2.626 -1.239 0.010 1.00 0.78 C ATOM 1790 C CYS A 121 3.333 -2.525 -0.351 1.00 0.60 C ATOM 1791 O CYS A 121 3.424 -2.843 -1.536 1.00 0.71 O ATOM 1792 CB CYS A 121 1.143 -1.325 -0.350 1.00 0.95 C ATOM 1793 SG CYS A 121 0.026 -0.239 0.558 1.00 1.63 S ATOM 0 H CYS A 121 3.136 -0.164 -1.718 1.00 0.85 H new ATOM 0 HA CYS A 121 2.638 -1.026 1.079 1.00 0.78 H new ATOM 0 HB2 CYS A 121 1.038 -1.109 -1.413 1.00 0.95 H new ATOM 0 HB3 CYS A 121 0.815 -2.354 -0.199 1.00 0.95 H new ATOM 1798 N ASN A 122 3.878 -3.227 0.641 1.00 0.56 N ATOM 1799 CA ASN A 122 4.356 -4.589 0.469 1.00 0.56 C ATOM 1800 C ASN A 122 3.225 -5.510 0.915 1.00 0.55 C ATOM 1801 O ASN A 122 2.377 -5.114 1.716 1.00 0.61 O ATOM 1802 CB ASN A 122 5.660 -4.828 1.242 1.00 0.69 C ATOM 1803 CG ASN A 122 6.439 -6.012 0.666 1.00 0.98 C ATOM 1804 OD1 ASN A 122 5.868 -6.973 0.161 1.00 2.53 O ATOM 1805 ND2 ASN A 122 7.768 -5.949 0.685 1.00 1.28 N ATOM 0 H ASN A 122 3.999 -2.863 1.586 1.00 0.56 H new ATOM 0 HA ASN A 122 4.607 -4.791 -0.572 1.00 0.56 H new ATOM 0 HB2 ASN A 122 6.278 -3.931 1.204 1.00 0.69 H new ATOM 0 HB3 ASN A 122 5.434 -5.015 2.292 1.00 0.69 H new ATOM 0 HD21 ASN A 122 8.320 -6.704 0.278 1.00 1.28 H new ATOM 0 HD22 ASN A 122 8.235 -5.146 1.107 1.00 1.28 H new ATOM 1812 N TYR A 123 3.163 -6.699 0.333 1.00 0.55 N ATOM 1813 CA TYR A 123 2.083 -7.652 0.482 1.00 0.57 C ATOM 1814 C TYR A 123 2.732 -9.006 0.681 1.00 0.63 C ATOM 1815 O TYR A 123 3.837 -9.216 0.170 1.00 0.72 O ATOM 1816 CB TYR A 123 1.256 -7.696 -0.804 1.00 0.51 C ATOM 1817 CG TYR A 123 0.528 -6.414 -1.144 1.00 0.48 C ATOM 1818 CD1 TYR A 123 1.229 -5.327 -1.693 1.00 1.90 C ATOM 1819 CD2 TYR A 123 -0.868 -6.352 -1.021 1.00 1.89 C ATOM 1820 CE1 TYR A 123 0.537 -4.190 -2.135 1.00 1.85 C ATOM 1821 CE2 TYR A 123 -1.561 -5.218 -1.477 1.00 1.94 C ATOM 1822 CZ TYR A 123 -0.857 -4.127 -2.016 1.00 0.50 C ATOM 1823 OH TYR A 123 -1.530 -3.077 -2.561 1.00 0.61 O ATOM 0 H TYR A 123 3.901 -7.037 -0.284 1.00 0.55 H new ATOM 0 HA TYR A 123 1.434 -7.381 1.314 1.00 0.57 H new ATOM 0 HB2 TYR A 123 1.916 -7.952 -1.633 1.00 0.51 H new ATOM 0 HB3 TYR A 123 0.524 -8.499 -0.720 1.00 0.51 H new ATOM 0 HD1 TYR A 123 2.305 -5.367 -1.775 1.00 1.90 H new ATOM 0 HD2 TYR A 123 -1.409 -7.174 -0.577 1.00 1.89 H new ATOM 0 HE1 TYR A 123 1.080 -3.362 -2.567 1.00 1.85 H new ATOM 0 HE2 TYR A 123 -2.639 -5.184 -1.413 1.00 1.94 H new ATOM 0 HH TYR A 123 -1.063 -2.242 -2.347 1.00 0.61 H new ATOM 1833 N ASP A 124 2.057 -9.917 1.379 1.00 0.67 N ATOM 1834 CA ASP A 124 2.576 -11.255 1.608 1.00 0.75 C ATOM 1835 C ASP A 124 1.406 -12.254 1.673 1.00 0.69 C ATOM 1836 O ASP A 124 0.315 -11.886 2.123 1.00 0.65 O ATOM 1837 CB ASP A 124 3.455 -11.227 2.871 1.00 1.03 C ATOM 1838 CG ASP A 124 4.415 -12.379 2.959 1.00 1.35 C ATOM 1839 OD1 ASP A 124 3.980 -13.502 3.278 1.00 1.66 O ATOM 1840 OD2 ASP A 124 5.624 -12.145 2.764 1.00 2.73 O ATOM 0 H ASP A 124 1.142 -9.746 1.797 1.00 0.67 H new ATOM 0 HA ASP A 124 3.210 -11.592 0.788 1.00 0.75 H new ATOM 0 HB2 ASP A 124 4.017 -10.293 2.892 1.00 1.03 H new ATOM 0 HB3 ASP A 124 2.812 -11.232 3.751 1.00 1.03 H new ATOM 1845 N PRO A 125 1.566 -13.500 1.206 1.00 0.77 N ATOM 1846 CA PRO A 125 2.591 -13.910 0.260 1.00 0.83 C ATOM 1847 C PRO A 125 2.474 -13.105 -1.039 1.00 0.74 C ATOM 1848 O PRO A 125 1.478 -12.421 -1.283 1.00 0.71 O ATOM 1849 CB PRO A 125 2.352 -15.400 0.008 1.00 0.97 C ATOM 1850 CG PRO A 125 0.859 -15.557 0.268 1.00 0.93 C ATOM 1851 CD PRO A 125 0.585 -14.557 1.386 1.00 0.81 C ATOM 0 HA PRO A 125 3.594 -13.732 0.647 1.00 0.83 H new ATOM 0 HB2 PRO A 125 2.616 -15.684 -1.011 1.00 0.97 H new ATOM 0 HB3 PRO A 125 2.946 -16.023 0.677 1.00 0.97 H new ATOM 0 HG2 PRO A 125 0.271 -15.335 -0.622 1.00 0.93 H new ATOM 0 HG3 PRO A 125 0.609 -16.574 0.569 1.00 0.93 H new ATOM 0 HD2 PRO A 125 -0.430 -14.166 1.323 1.00 0.81 H new ATOM 0 HD3 PRO A 125 0.686 -15.025 2.365 1.00 0.81 H new ATOM 1859 N VAL A 126 3.531 -13.159 -1.844 1.00 0.83 N ATOM 1860 CA VAL A 126 3.661 -12.382 -3.060 1.00 0.76 C ATOM 1861 C VAL A 126 2.438 -12.505 -3.981 1.00 0.72 C ATOM 1862 O VAL A 126 1.950 -13.600 -4.269 1.00 0.85 O ATOM 1863 CB VAL A 126 4.977 -12.722 -3.783 1.00 0.90 C ATOM 1864 CG1 VAL A 126 6.202 -12.518 -2.890 1.00 1.08 C ATOM 1865 CG2 VAL A 126 5.040 -14.182 -4.227 1.00 1.13 C ATOM 0 H VAL A 126 4.335 -13.759 -1.660 1.00 0.83 H new ATOM 0 HA VAL A 126 3.700 -11.332 -2.771 1.00 0.76 H new ATOM 0 HB VAL A 126 4.991 -12.047 -4.639 1.00 0.90 H new ATOM 0 HG11 VAL A 126 7.104 -12.771 -3.447 1.00 1.08 H new ATOM 0 HG12 VAL A 126 6.252 -11.476 -2.573 1.00 1.08 H new ATOM 0 HG13 VAL A 126 6.124 -13.161 -2.013 1.00 1.08 H new ATOM 0 HG21 VAL A 126 5.988 -14.368 -4.731 1.00 1.13 H new ATOM 0 HG22 VAL A 126 4.959 -14.831 -3.355 1.00 1.13 H new ATOM 0 HG23 VAL A 126 4.218 -14.390 -4.912 1.00 1.13 H new ATOM 1875 N GLY A 127 1.983 -11.359 -4.481 1.00 0.86 N ATOM 1876 CA GLY A 127 1.027 -11.246 -5.562 1.00 0.83 C ATOM 1877 C GLY A 127 1.691 -10.521 -6.726 1.00 0.74 C ATOM 1878 O GLY A 127 2.846 -10.101 -6.628 1.00 0.98 O ATOM 0 H GLY A 127 2.286 -10.452 -4.125 1.00 0.86 H new ATOM 0 HA2 GLY A 127 0.691 -12.235 -5.875 1.00 0.83 H new ATOM 0 HA3 GLY A 127 0.144 -10.700 -5.230 1.00 0.83 H new ATOM 1882 N ASN A 128 0.991 -10.442 -7.862 1.00 0.75 N ATOM 1883 CA ASN A 128 1.542 -10.124 -9.184 1.00 1.01 C ATOM 1884 C ASN A 128 2.802 -10.954 -9.424 1.00 1.39 C ATOM 1885 O ASN A 128 3.744 -10.545 -10.104 1.00 1.88 O ATOM 1886 CB ASN A 128 1.721 -8.616 -9.367 1.00 0.96 C ATOM 1887 CG ASN A 128 0.398 -7.948 -9.695 1.00 0.93 C ATOM 1888 OD1 ASN A 128 0.008 -7.818 -10.854 1.00 1.46 O ATOM 1889 ND2 ASN A 128 -0.337 -7.529 -8.683 1.00 1.85 N ATOM 0 H ASN A 128 -0.016 -10.604 -7.887 1.00 0.75 H new ATOM 0 HA ASN A 128 0.835 -10.406 -9.964 1.00 1.01 H new ATOM 0 HB2 ASN A 128 2.136 -8.182 -8.457 1.00 0.96 H new ATOM 0 HB3 ASN A 128 2.437 -8.425 -10.166 1.00 0.96 H new ATOM 0 HD21 ASN A 128 -1.241 -7.091 -8.857 1.00 1.85 H new ATOM 0 HD22 ASN A 128 -0.001 -7.643 -7.727 1.00 1.85 H new ATOM 1896 N TRP A 129 2.801 -12.124 -8.801 1.00 1.27 N ATOM 1897 CA TRP A 129 3.736 -13.208 -8.907 1.00 1.45 C ATOM 1898 C TRP A 129 3.089 -14.149 -9.910 1.00 1.54 C ATOM 1899 O TRP A 129 1.859 -14.203 -9.988 1.00 1.50 O ATOM 1900 CB TRP A 129 3.881 -13.796 -7.498 1.00 1.25 C ATOM 1901 CG TRP A 129 3.897 -15.278 -7.304 1.00 1.25 C ATOM 1902 CD1 TRP A 129 2.814 -16.054 -7.068 1.00 1.19 C ATOM 1903 CD2 TRP A 129 5.051 -16.151 -7.136 1.00 1.47 C ATOM 1904 NE1 TRP A 129 3.223 -17.335 -6.752 1.00 1.34 N ATOM 1905 CE2 TRP A 129 4.595 -17.450 -6.781 1.00 1.47 C ATOM 1906 CE3 TRP A 129 6.445 -15.951 -7.201 1.00 1.77 C ATOM 1907 CZ2 TRP A 129 5.476 -18.511 -6.510 1.00 1.69 C ATOM 1908 CZ3 TRP A 129 7.335 -17.007 -6.931 1.00 1.99 C ATOM 1909 CH2 TRP A 129 6.857 -18.282 -6.588 1.00 1.93 C ATOM 0 H TRP A 129 2.058 -12.349 -8.139 1.00 1.27 H new ATOM 0 HA TRP A 129 4.740 -12.955 -9.247 1.00 1.45 H new ATOM 0 HB2 TRP A 129 4.807 -13.404 -7.077 1.00 1.25 H new ATOM 0 HB3 TRP A 129 3.064 -13.399 -6.896 1.00 1.25 H new ATOM 0 HD1 TRP A 129 1.787 -15.723 -7.119 1.00 1.19 H new ATOM 0 HE1 TRP A 129 2.588 -18.100 -6.525 1.00 1.34 H new ATOM 0 HE3 TRP A 129 6.834 -14.977 -7.461 1.00 1.77 H new ATOM 0 HZ2 TRP A 129 5.095 -19.487 -6.246 1.00 1.69 H new ATOM 0 HZ3 TRP A 129 8.400 -16.835 -6.988 1.00 1.99 H new ATOM 0 HH2 TRP A 129 7.551 -19.084 -6.385 1.00 1.93 H new ATOM 1920 N ILE A 130 3.891 -14.839 -10.707 1.00 1.85 N ATOM 1921 CA ILE A 130 3.357 -15.724 -11.726 1.00 1.94 C ATOM 1922 C ILE A 130 2.731 -16.967 -11.073 1.00 1.84 C ATOM 1923 O ILE A 130 2.765 -17.127 -9.854 1.00 1.83 O ATOM 1924 CB ILE A 130 4.447 -15.935 -12.798 1.00 2.38 C ATOM 1925 CG1 ILE A 130 3.972 -15.393 -14.148 1.00 2.76 C ATOM 1926 CG2 ILE A 130 4.951 -17.358 -12.975 1.00 2.51 C ATOM 1927 CD1 ILE A 130 3.955 -13.865 -14.104 1.00 4.05 C ATOM 0 H ILE A 130 4.910 -14.802 -10.667 1.00 1.85 H new ATOM 0 HA ILE A 130 2.514 -15.300 -12.272 1.00 1.94 H new ATOM 0 HB ILE A 130 5.304 -15.378 -12.418 1.00 2.38 H new ATOM 0 HG12 ILE A 130 4.633 -15.738 -14.944 1.00 2.76 H new ATOM 0 HG13 ILE A 130 2.976 -15.772 -14.374 1.00 2.76 H new ATOM 0 HG21 ILE A 130 5.713 -17.380 -13.754 1.00 2.51 H new ATOM 0 HG22 ILE A 130 5.381 -17.711 -12.038 1.00 2.51 H new ATOM 0 HG23 ILE A 130 4.121 -18.005 -13.260 1.00 2.51 H new ATOM 0 HD11 ILE A 130 3.617 -13.477 -15.065 1.00 4.05 H new ATOM 0 HD12 ILE A 130 3.277 -13.531 -13.319 1.00 4.05 H new ATOM 0 HD13 ILE A 130 4.959 -13.496 -13.897 1.00 4.05 H new ATOM 1939 N GLY A 131 2.071 -17.819 -11.856 1.00 2.07 N ATOM 1940 CA GLY A 131 1.341 -18.958 -11.327 1.00 2.17 C ATOM 1941 C GLY A 131 -0.026 -18.530 -10.801 1.00 1.99 C ATOM 1942 O GLY A 131 -1.055 -18.995 -11.294 1.00 2.77 O ATOM 0 H GLY A 131 2.030 -17.735 -12.872 1.00 2.07 H new ATOM 0 HA2 GLY A 131 1.216 -19.710 -12.107 1.00 2.17 H new ATOM 0 HA3 GLY A 131 1.915 -19.423 -10.525 1.00 2.17 H new ATOM 1946 N GLN A 132 -0.064 -17.656 -9.796 1.00 1.78 N ATOM 1947 CA GLN A 132 -1.314 -17.359 -9.110 1.00 1.64 C ATOM 1948 C GLN A 132 -2.130 -16.299 -9.855 1.00 1.91 C ATOM 1949 O GLN A 132 -1.628 -15.580 -10.722 1.00 2.89 O ATOM 1950 CB GLN A 132 -1.061 -16.973 -7.647 1.00 1.43 C ATOM 1951 CG GLN A 132 -0.392 -18.123 -6.890 1.00 1.90 C ATOM 1952 CD GLN A 132 -0.414 -17.894 -5.384 1.00 1.76 C ATOM 1953 OE1 GLN A 132 -0.986 -18.688 -4.649 1.00 2.90 O ATOM 1954 NE2 GLN A 132 0.170 -16.806 -4.894 1.00 1.78 N ATOM 0 H GLN A 132 0.748 -17.148 -9.444 1.00 1.78 H new ATOM 0 HA GLN A 132 -1.916 -18.268 -9.105 1.00 1.64 H new ATOM 0 HB2 GLN A 132 -0.428 -16.087 -7.604 1.00 1.43 H new ATOM 0 HB3 GLN A 132 -2.004 -16.715 -7.166 1.00 1.43 H new ATOM 0 HG2 GLN A 132 -0.902 -19.058 -7.124 1.00 1.90 H new ATOM 0 HG3 GLN A 132 0.639 -18.229 -7.227 1.00 1.90 H new ATOM 0 HE21 GLN A 132 0.642 -16.155 -5.521 1.00 1.78 H new ATOM 0 HE22 GLN A 132 0.146 -16.622 -3.891 1.00 1.78 H new ATOM 1963 N ARG A 133 -3.417 -16.238 -9.528 1.00 1.57 N ATOM 1964 CA ARG A 133 -4.373 -15.274 -10.044 1.00 1.64 C ATOM 1965 C ARG A 133 -4.578 -14.152 -9.020 1.00 1.34 C ATOM 1966 O ARG A 133 -4.480 -14.407 -7.820 1.00 1.24 O ATOM 1967 CB ARG A 133 -5.702 -16.000 -10.282 1.00 1.84 C ATOM 1968 CG ARG A 133 -5.759 -16.681 -11.654 1.00 2.40 C ATOM 1969 CD ARG A 133 -6.209 -15.663 -12.705 1.00 3.99 C ATOM 1970 NE ARG A 133 -6.531 -16.286 -13.992 1.00 4.66 N ATOM 1971 CZ ARG A 133 -7.227 -15.672 -14.962 1.00 5.63 C ATOM 1972 NH1 ARG A 133 -7.639 -14.413 -14.804 1.00 6.32 N ATOM 1973 NH2 ARG A 133 -7.489 -16.316 -16.094 1.00 6.51 N ATOM 0 H ARG A 133 -3.837 -16.890 -8.866 1.00 1.57 H new ATOM 0 HA ARG A 133 -4.006 -14.840 -10.974 1.00 1.64 H new ATOM 0 HB2 ARG A 133 -5.849 -16.747 -9.502 1.00 1.84 H new ATOM 0 HB3 ARG A 133 -6.522 -15.287 -10.199 1.00 1.84 H new ATOM 0 HG2 ARG A 133 -4.780 -17.082 -11.915 1.00 2.40 H new ATOM 0 HG3 ARG A 133 -6.451 -17.523 -11.627 1.00 2.40 H new ATOM 0 HD2 ARG A 133 -7.084 -15.128 -12.336 1.00 3.99 H new ATOM 0 HD3 ARG A 133 -5.421 -14.924 -12.850 1.00 3.99 H new ATOM 0 HE ARG A 133 -6.208 -17.239 -14.160 1.00 4.66 H new ATOM 0 HH11 ARG A 133 -7.426 -13.911 -13.942 1.00 6.32 H new ATOM 0 HH12 ARG A 133 -8.167 -13.953 -15.545 1.00 6.32 H new ATOM 0 HH21 ARG A 133 -7.162 -17.273 -16.224 1.00 6.51 H new ATOM 0 HH22 ARG A 133 -8.018 -15.853 -16.833 1.00 6.51 H new ATOM 1987 N PRO A 134 -4.896 -12.925 -9.468 1.00 1.26 N ATOM 1988 CA PRO A 134 -5.378 -11.886 -8.586 1.00 0.92 C ATOM 1989 C PRO A 134 -6.777 -12.231 -8.067 1.00 0.73 C ATOM 1990 O PRO A 134 -7.008 -12.195 -6.867 1.00 0.69 O ATOM 1991 CB PRO A 134 -5.347 -10.587 -9.398 1.00 1.03 C ATOM 1992 CG PRO A 134 -5.424 -11.042 -10.852 1.00 1.35 C ATOM 1993 CD PRO A 134 -4.819 -12.449 -10.838 1.00 1.54 C ATOM 0 HA PRO A 134 -4.757 -11.779 -7.697 1.00 0.92 H new ATOM 0 HB2 PRO A 134 -6.184 -9.938 -9.141 1.00 1.03 H new ATOM 0 HB3 PRO A 134 -4.435 -10.021 -9.207 1.00 1.03 H new ATOM 0 HG2 PRO A 134 -6.453 -11.055 -11.211 1.00 1.35 H new ATOM 0 HG3 PRO A 134 -4.865 -10.375 -11.508 1.00 1.35 H new ATOM 0 HD2 PRO A 134 -5.366 -13.112 -11.509 1.00 1.54 H new ATOM 0 HD3 PRO A 134 -3.785 -12.429 -11.183 1.00 1.54 H new ATOM 2001 N TYR A 135 -7.713 -12.564 -8.951 1.00 0.95 N ATOM 2002 CA TYR A 135 -9.067 -12.963 -8.598 1.00 0.99 C ATOM 2003 C TYR A 135 -9.523 -13.965 -9.652 1.00 1.43 C ATOM 2004 O TYR A 135 -10.465 -14.734 -9.377 1.00 1.41 O ATOM 2005 CB TYR A 135 -10.014 -11.748 -8.526 1.00 0.71 C ATOM 2006 CG TYR A 135 -10.193 -10.921 -9.796 1.00 0.64 C ATOM 2007 CD1 TYR A 135 -9.130 -10.139 -10.280 1.00 2.15 C ATOM 2008 CD2 TYR A 135 -11.460 -10.791 -10.398 1.00 1.71 C ATOM 2009 CE1 TYR A 135 -9.290 -9.337 -11.420 1.00 2.22 C ATOM 2010 CE2 TYR A 135 -11.640 -9.927 -11.497 1.00 1.83 C ATOM 2011 CZ TYR A 135 -10.540 -9.252 -12.049 1.00 1.06 C ATOM 2012 OH TYR A 135 -10.680 -8.457 -13.148 1.00 1.42 O ATOM 2013 OXT TYR A 135 -8.749 -14.173 -10.617 1.00 3.05 O ATOM 0 H TYR A 135 -7.544 -12.563 -9.957 1.00 0.95 H new ATOM 0 HA TYR A 135 -9.086 -13.415 -7.606 1.00 0.99 H new ATOM 0 HB2 TYR A 135 -10.996 -12.104 -8.215 1.00 0.71 H new ATOM 0 HB3 TYR A 135 -9.652 -11.085 -7.740 1.00 0.71 H new ATOM 0 HD1 TYR A 135 -8.179 -10.156 -9.768 1.00 2.15 H new ATOM 0 HD2 TYR A 135 -12.297 -11.356 -10.016 1.00 1.71 H new ATOM 0 HE1 TYR A 135 -8.449 -8.785 -11.813 1.00 2.22 H new ATOM 0 HE2 TYR A 135 -12.626 -9.784 -11.915 1.00 1.83 H new ATOM 0 HH TYR A 135 -11.427 -8.781 -13.693 1.00 1.42 H new TER 2023 TYR A 135