USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= -0.033 X(o=0.86,f=0.75) USER MOD Set 1.2: A 123 THR OG1 : rot 70:sc= 0.897 USER MOD Set 2.1: A 114 ASN : amide:sc= -2.72! C(o=-5.1!,f=-6.2!) USER MOD Set 2.2: A 117 HIS : no HE2:sc= -2.39 K(o=-5.1,f=-13!) USER MOD Set 3.1: A 80 GLN : amide:sc= -0.901 X(o=-2.2,f=-1.8) USER MOD Set 3.2: A 83 HIS : +bothHN:sc= -1.3 K(o=-2.2,f=-5.5) USER MOD Set 4.1: A 68 GLN :FLIP amide:sc= -0.503 F(o=-8.8!,f=-3.7) USER MOD Set 4.2: A 71 SER OG : rot 90:sc= -3.2! USER MOD Single : A 27 MET CE :methyl 161:sc= -0.0952 (180deg=-0.559) USER MOD Single : A 29 GLN : amide:sc= -5.8! C(o=-5.8!,f=-7.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.496 F(o=-3!,f=-0.5) USER MOD Single : A 42 THR OG1 : rot 120:sc= -1.3 USER MOD Single : A 49 ASN :FLIP amide:sc= -2.28! C(o=-4.6!,f=-2.3!) USER MOD Single : A 51 MET CE :methyl -139:sc= -3.65! (180deg=-5.44!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -75:sc= -1.56! USER MOD Single : A 65 ASN : amide:sc= -1.64 K(o=-1.6,f=-6.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0269 (180deg=-0.244) USER MOD Single : A 76 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.44) USER MOD Single : A 81 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.5) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD Single : A 90 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.06) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 98 TYR OH : rot -50:sc= -1.36 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0416 (180deg=-0.232) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.0224 F(o=-1.9!,f=-0.022) USER MOD Single : A 109 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.9!) USER MOD Single : A 115 THR OG1 : rot 102:sc= -2.92! USER MOD Single : A 116 ASN : amide:sc= -1.64 K(o=-1.6,f=-13!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot -23:sc= 1.01 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -6.12 K(o=-6.1,f=-9.4!) USER MOD Single : A 132 LYS NZ :NH3+ -166:sc= -0.0331 (180deg=-0.248) USER MOD Single : A 133 THR OG1 : rot -30:sc= 0.238 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -15.860 -7.628 -11.077 1.00 0.00 N ATOM 2 CA MET A 27 -14.622 -8.206 -11.663 1.00 0.00 C ATOM 3 C MET A 27 -13.631 -7.106 -12.052 1.00 0.00 C ATOM 4 O MET A 27 -13.233 -6.998 -13.212 1.00 0.00 O ATOM 5 CB MET A 27 -15.009 -9.039 -12.888 1.00 0.00 C ATOM 6 CG MET A 27 -13.847 -9.810 -13.497 1.00 0.00 C ATOM 7 SD MET A 27 -13.103 -10.977 -12.341 1.00 0.00 S ATOM 8 CE MET A 27 -14.497 -12.044 -11.989 1.00 0.00 C ATOM 0 HA MET A 27 -14.131 -8.838 -10.923 1.00 0.00 H new ATOM 0 HB2 MET A 27 -15.792 -9.743 -12.605 1.00 0.00 H new ATOM 0 HB3 MET A 27 -15.432 -8.379 -13.646 1.00 0.00 H new ATOM 0 HG2 MET A 27 -14.196 -10.350 -14.377 1.00 0.00 H new ATOM 0 HG3 MET A 27 -13.087 -9.106 -13.836 1.00 0.00 H new ATOM 0 HE1 MET A 27 -14.138 -12.987 -11.576 1.00 0.00 H new ATOM 0 HE2 MET A 27 -15.154 -11.558 -11.268 1.00 0.00 H new ATOM 0 HE3 MET A 27 -15.048 -12.238 -12.909 1.00 0.00 H new ATOM 20 N PRO A 28 -13.217 -6.267 -11.082 1.00 0.00 N ATOM 21 CA PRO A 28 -12.270 -5.175 -11.336 1.00 0.00 C ATOM 22 C PRO A 28 -10.901 -5.685 -11.771 1.00 0.00 C ATOM 23 O PRO A 28 -10.272 -5.117 -12.664 1.00 0.00 O ATOM 24 CB PRO A 28 -12.170 -4.456 -9.985 1.00 0.00 C ATOM 25 CG PRO A 28 -12.611 -5.462 -8.979 1.00 0.00 C ATOM 26 CD PRO A 28 -13.636 -6.316 -9.669 1.00 0.00 C ATOM 0 HA PRO A 28 -12.606 -4.530 -12.148 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.151 -4.123 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.805 -3.570 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.770 -6.064 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.036 -4.975 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.636 -7.336 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.644 -5.924 -9.534 1.00 0.00 H new ATOM 34 N GLN A 29 -10.445 -6.759 -11.133 1.00 0.00 N ATOM 35 CA GLN A 29 -9.148 -7.347 -11.452 1.00 0.00 C ATOM 36 C GLN A 29 -9.072 -7.736 -12.925 1.00 0.00 C ATOM 37 O GLN A 29 -9.872 -8.539 -13.405 1.00 0.00 O ATOM 38 CB GLN A 29 -8.899 -8.578 -10.576 1.00 0.00 C ATOM 39 CG GLN A 29 -7.591 -9.292 -10.878 1.00 0.00 C ATOM 40 CD GLN A 29 -6.376 -8.428 -10.607 1.00 0.00 C ATOM 41 OE1 GLN A 29 -6.146 -7.998 -9.477 1.00 0.00 O ATOM 42 NE2 GLN A 29 -5.589 -8.170 -11.644 1.00 0.00 N ATOM 0 H GLN A 29 -10.955 -7.240 -10.392 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.379 -6.601 -11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.903 -8.274 -9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.723 -9.279 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.529 -10.198 -10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.585 -9.603 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.817 -8.547 -12.564 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.756 -7.595 -11.521 1.00 0.00 H new ATOM 51 N THR A 30 -8.095 -7.170 -13.631 1.00 0.00 N ATOM 52 CA THR A 30 -7.897 -7.457 -15.050 1.00 0.00 C ATOM 53 C THR A 30 -6.452 -7.195 -15.460 1.00 0.00 C ATOM 54 O THR A 30 -6.165 -6.956 -16.635 1.00 0.00 O ATOM 55 CB THR A 30 -8.821 -6.601 -15.943 1.00 0.00 C ATOM 56 OG1 THR A 30 -8.643 -5.212 -15.641 1.00 0.00 O ATOM 57 CG2 THR A 30 -10.283 -6.982 -15.758 1.00 0.00 C ATOM 0 H THR A 30 -7.425 -6.507 -13.241 1.00 0.00 H new ATOM 0 HA THR A 30 -8.141 -8.510 -15.191 1.00 0.00 H new ATOM 0 HB THR A 30 -8.550 -6.789 -16.982 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.231 -4.675 -16.212 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.905 -6.360 -16.401 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.422 -8.030 -16.022 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.570 -6.829 -14.718 1.00 0.00 H new ATOM 65 N GLU A 31 -5.548 -7.246 -14.486 1.00 0.00 N ATOM 66 CA GLU A 31 -4.128 -7.019 -14.739 1.00 0.00 C ATOM 67 C GLU A 31 -3.912 -5.746 -15.553 1.00 0.00 C ATOM 68 O GLU A 31 -3.172 -5.744 -16.537 1.00 0.00 O ATOM 69 CB GLU A 31 -3.520 -8.218 -15.471 1.00 0.00 C ATOM 70 CG GLU A 31 -3.627 -9.518 -14.701 1.00 0.00 C ATOM 71 CD GLU A 31 -3.016 -10.690 -15.443 1.00 0.00 C ATOM 72 OE1 GLU A 31 -3.480 -10.991 -16.563 1.00 0.00 O ATOM 73 OE2 GLU A 31 -2.071 -11.306 -14.905 1.00 0.00 O ATOM 0 H GLU A 31 -5.774 -7.443 -13.511 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.630 -6.899 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.016 -8.334 -16.434 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.469 -8.013 -15.676 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.132 -9.406 -13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.677 -9.730 -14.498 1.00 0.00 H new ATOM 80 N ARG A 32 -4.563 -4.666 -15.134 1.00 0.00 N ATOM 81 CA ARG A 32 -4.446 -3.386 -15.825 1.00 0.00 C ATOM 82 C ARG A 32 -5.060 -2.266 -14.993 1.00 0.00 C ATOM 83 O ARG A 32 -4.484 -1.185 -14.871 1.00 0.00 O ATOM 84 CB ARG A 32 -5.128 -3.455 -17.193 1.00 0.00 C ATOM 85 CG ARG A 32 -5.043 -2.159 -17.983 1.00 0.00 C ATOM 86 CD ARG A 32 -5.730 -2.282 -19.333 1.00 0.00 C ATOM 87 NE ARG A 32 -5.662 -1.041 -20.102 1.00 0.00 N ATOM 88 CZ ARG A 32 -4.526 -0.491 -20.524 1.00 0.00 C ATOM 89 NH1 ARG A 32 -3.363 -1.078 -20.267 1.00 0.00 N ATOM 90 NH2 ARG A 32 -4.552 0.644 -21.208 1.00 0.00 N ATOM 0 H ARG A 32 -5.177 -4.651 -14.320 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.387 -3.172 -15.968 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.674 -4.256 -17.776 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.177 -3.717 -17.054 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.503 -1.353 -17.412 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.997 -1.889 -18.129 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.266 -3.087 -19.903 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.774 -2.558 -19.184 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.537 -0.568 -20.329 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.338 -1.954 -19.744 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.495 -0.653 -20.592 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.443 1.097 -21.411 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.681 1.065 -21.531 1.00 0.00 H new ATOM 104 N GLN A 33 -6.228 -2.532 -14.421 1.00 0.00 N ATOM 105 CA GLN A 33 -6.919 -1.552 -13.599 1.00 0.00 C ATOM 106 C GLN A 33 -6.061 -1.144 -12.406 1.00 0.00 C ATOM 107 O GLN A 33 -5.997 0.032 -12.048 1.00 0.00 O ATOM 108 CB GLN A 33 -8.254 -2.123 -13.118 1.00 0.00 C ATOM 109 CG GLN A 33 -9.026 -1.189 -12.205 1.00 0.00 C ATOM 110 CD GLN A 33 -9.508 0.075 -12.901 1.00 0.00 C ATOM 111 OE1 GLN A 33 -9.292 0.164 -14.210 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -10.081 0.960 -12.267 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.716 -3.423 -14.513 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.107 -0.665 -14.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.871 -2.360 -13.985 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.070 -3.060 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.886 -1.720 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.393 -0.912 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.228 0.855 -11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.409 1.799 -12.745 1.00 0.00 H new ATOM 121 N LEU A 34 -5.403 -2.125 -11.795 1.00 0.00 N ATOM 122 CA LEU A 34 -4.546 -1.871 -10.642 1.00 0.00 C ATOM 123 C LEU A 34 -3.366 -0.977 -11.016 1.00 0.00 C ATOM 124 O LEU A 34 -3.063 -0.011 -10.314 1.00 0.00 O ATOM 125 CB LEU A 34 -4.027 -3.192 -10.066 1.00 0.00 C ATOM 126 CG LEU A 34 -5.090 -4.104 -9.452 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.472 -5.428 -9.028 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.756 -3.426 -8.264 1.00 0.00 C ATOM 0 H LEU A 34 -5.447 -3.104 -12.080 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.144 -1.356 -9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.518 -3.739 -10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.281 -2.968 -9.304 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.851 -4.301 -10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.241 -6.066 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.040 -5.923 -9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.692 -5.245 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.509 -4.091 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.006 -3.199 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.231 -2.501 -8.592 1.00 0.00 H new ATOM 140 N ARG A 35 -2.700 -1.306 -12.119 1.00 0.00 N ATOM 141 CA ARG A 35 -1.548 -0.534 -12.579 1.00 0.00 C ATOM 142 C ARG A 35 -1.986 0.761 -13.264 1.00 0.00 C ATOM 143 O ARG A 35 -1.363 1.204 -14.230 1.00 0.00 O ATOM 144 CB ARG A 35 -0.699 -1.371 -13.537 1.00 0.00 C ATOM 145 CG ARG A 35 -0.166 -2.651 -12.915 1.00 0.00 C ATOM 146 CD ARG A 35 0.662 -3.451 -13.908 1.00 0.00 C ATOM 147 NE ARG A 35 1.175 -4.688 -13.323 1.00 0.00 N ATOM 148 CZ ARG A 35 1.922 -5.563 -13.988 1.00 0.00 C ATOM 149 NH1 ARG A 35 2.244 -5.340 -15.256 1.00 0.00 N ATOM 150 NH2 ARG A 35 2.351 -6.664 -13.385 1.00 0.00 N ATOM 0 H ARG A 35 -2.937 -2.102 -12.711 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.951 -0.271 -11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.296 -1.624 -14.413 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.140 -0.769 -13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.443 -2.407 -12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.999 -3.259 -12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.053 -3.688 -14.780 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.496 -2.842 -14.258 1.00 0.00 H new ATOM 0 HE ARG A 35 0.947 -4.891 -12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.918 -4.494 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.818 -6.014 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.107 -6.839 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.924 -7.335 -13.896 1.00 0.00 H new ATOM 164 N VAL A 36 -3.051 1.364 -12.747 1.00 0.00 N ATOM 165 CA VAL A 36 -3.584 2.612 -13.288 1.00 0.00 C ATOM 166 C VAL A 36 -4.325 3.375 -12.198 1.00 0.00 C ATOM 167 O VAL A 36 -4.261 4.603 -12.124 1.00 0.00 O ATOM 168 CB VAL A 36 -4.553 2.364 -14.468 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.206 3.667 -14.908 1.00 0.00 C ATOM 170 CG2 VAL A 36 -3.834 1.705 -15.635 1.00 0.00 C ATOM 0 H VAL A 36 -3.568 1.005 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.737 3.193 -13.654 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.334 1.685 -14.126 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.884 3.472 -15.739 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.766 4.093 -14.075 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.436 4.371 -15.225 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.538 1.542 -16.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.026 2.352 -15.977 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.422 0.748 -15.315 1.00 0.00 H new ATOM 180 N TRP A 37 -5.025 2.629 -11.353 1.00 0.00 N ATOM 181 CA TRP A 37 -5.784 3.207 -10.252 1.00 0.00 C ATOM 182 C TRP A 37 -4.868 3.925 -9.262 1.00 0.00 C ATOM 183 O TRP A 37 -4.955 5.140 -9.090 1.00 0.00 O ATOM 184 CB TRP A 37 -6.586 2.095 -9.547 1.00 0.00 C ATOM 185 CG TRP A 37 -6.722 2.264 -8.058 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.960 3.419 -7.368 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.626 1.226 -7.077 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.982 3.166 -6.020 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.795 1.825 -5.815 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.410 -0.153 -7.143 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.753 1.096 -4.631 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.371 -0.877 -5.967 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.542 -0.252 -4.726 1.00 0.00 C ATOM 0 H TRP A 37 -5.083 1.612 -11.411 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.473 3.951 -10.653 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.583 2.051 -9.986 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.106 1.137 -9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.109 4.389 -7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.116 3.864 -5.288 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.276 -0.644 -8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.882 1.577 -3.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.206 -1.944 -6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.507 -0.847 -3.825 1.00 0.00 H new ATOM 204 N ILE A 38 -4.009 3.160 -8.599 1.00 0.00 N ATOM 205 CA ILE A 38 -3.096 3.714 -7.607 1.00 0.00 C ATOM 206 C ILE A 38 -2.108 4.694 -8.233 1.00 0.00 C ATOM 207 O ILE A 38 -1.914 5.798 -7.723 1.00 0.00 O ATOM 208 CB ILE A 38 -2.327 2.590 -6.891 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.301 1.648 -6.182 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.326 3.170 -5.902 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.643 0.405 -5.623 1.00 0.00 C ATOM 0 H ILE A 38 -3.926 2.152 -8.731 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.701 4.258 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.775 2.019 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.789 2.187 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.082 1.352 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.793 2.359 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.614 3.801 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.854 3.766 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.394 -0.216 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.179 -0.157 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.881 0.691 -4.898 1.00 0.00 H new ATOM 223 N GLU A 39 -1.490 4.292 -9.338 1.00 0.00 N ATOM 224 CA GLU A 39 -0.527 5.147 -10.027 1.00 0.00 C ATOM 225 C GLU A 39 -1.183 6.452 -10.463 1.00 0.00 C ATOM 226 O GLU A 39 -0.612 7.531 -10.304 1.00 0.00 O ATOM 227 CB GLU A 39 0.060 4.423 -11.240 1.00 0.00 C ATOM 228 CG GLU A 39 0.875 3.193 -10.878 1.00 0.00 C ATOM 229 CD GLU A 39 1.401 2.461 -12.097 1.00 0.00 C ATOM 230 OE1 GLU A 39 2.160 3.073 -12.876 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.053 1.273 -12.271 1.00 0.00 O ATOM 0 H GLU A 39 -1.637 3.383 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 39 0.280 5.379 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.752 4.128 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.691 5.116 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.713 3.490 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.258 2.514 -10.289 1.00 0.00 H new ATOM 238 N GLY A 40 -2.387 6.342 -11.011 1.00 0.00 N ATOM 239 CA GLY A 40 -3.114 7.515 -11.462 1.00 0.00 C ATOM 240 C GLY A 40 -3.503 8.431 -10.318 1.00 0.00 C ATOM 241 O GLY A 40 -3.514 9.653 -10.471 1.00 0.00 O ATOM 0 H GLY A 40 -2.875 5.458 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.500 8.068 -12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.012 7.200 -11.993 1.00 0.00 H new ATOM 245 N ALA A 41 -3.832 7.839 -9.174 1.00 0.00 N ATOM 246 CA ALA A 41 -4.236 8.606 -8.000 1.00 0.00 C ATOM 247 C ALA A 41 -3.202 9.671 -7.651 1.00 0.00 C ATOM 248 O ALA A 41 -3.513 10.861 -7.613 1.00 0.00 O ATOM 249 CB ALA A 41 -4.455 7.677 -6.815 1.00 0.00 C ATOM 0 H ALA A 41 -3.827 6.829 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.173 9.112 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.756 8.261 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.237 6.957 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.529 7.146 -6.593 1.00 0.00 H new ATOM 255 N THR A 42 -1.971 9.236 -7.398 1.00 0.00 N ATOM 256 CA THR A 42 -0.896 10.159 -7.055 1.00 0.00 C ATOM 257 C THR A 42 -0.226 10.711 -8.310 1.00 0.00 C ATOM 258 O THR A 42 -0.312 11.904 -8.598 1.00 0.00 O ATOM 259 CB THR A 42 0.167 9.477 -6.173 1.00 0.00 C ATOM 260 OG1 THR A 42 0.719 8.346 -6.854 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.438 9.032 -4.848 1.00 0.00 C ATOM 0 H THR A 42 -1.695 8.254 -7.424 1.00 0.00 H new ATOM 0 HA THR A 42 -1.346 10.980 -6.497 1.00 0.00 H new ATOM 0 HB THR A 42 0.958 10.199 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.684 8.472 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.330 8.553 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.831 9.899 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.246 8.325 -5.036 1.00 0.00 H new ATOM 269 N GLY A 43 0.441 9.832 -9.050 1.00 0.00 N ATOM 270 CA GLY A 43 1.119 10.241 -10.263 1.00 0.00 C ATOM 271 C GLY A 43 2.339 9.389 -10.540 1.00 0.00 C ATOM 272 O GLY A 43 2.682 9.132 -11.693 1.00 0.00 O ATOM 0 H GLY A 43 0.523 8.840 -8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.430 10.174 -11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.417 11.286 -10.178 1.00 0.00 H new ATOM 276 N ARG A 44 3.000 8.962 -9.471 1.00 0.00 N ATOM 277 CA ARG A 44 4.200 8.143 -9.579 1.00 0.00 C ATOM 278 C ARG A 44 3.882 6.758 -10.129 1.00 0.00 C ATOM 279 O ARG A 44 2.949 6.097 -9.670 1.00 0.00 O ATOM 280 CB ARG A 44 4.855 7.982 -8.209 1.00 0.00 C ATOM 281 CG ARG A 44 4.770 9.218 -7.331 1.00 0.00 C ATOM 282 CD ARG A 44 5.467 10.397 -7.972 1.00 0.00 C ATOM 283 NE ARG A 44 5.397 11.596 -7.142 1.00 0.00 N ATOM 284 CZ ARG A 44 5.938 12.763 -7.483 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.586 12.885 -8.633 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.829 13.807 -6.674 1.00 0.00 N ATOM 0 H ARG A 44 2.722 9.172 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 44 4.878 8.651 -10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.384 7.147 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.904 7.720 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.724 9.466 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.222 9.009 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.511 10.144 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.014 10.602 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 44 4.906 11.536 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.671 12.084 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.000 13.780 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.330 13.716 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.244 14.701 -6.936 1.00 0.00 H new ATOM 300 N ARG A 45 4.681 6.308 -11.089 1.00 0.00 N ATOM 301 CA ARG A 45 4.500 4.984 -11.668 1.00 0.00 C ATOM 302 C ARG A 45 5.166 3.941 -10.776 1.00 0.00 C ATOM 303 O ARG A 45 6.309 4.120 -10.356 1.00 0.00 O ATOM 304 CB ARG A 45 5.103 4.925 -13.074 1.00 0.00 C ATOM 305 CG ARG A 45 4.488 5.911 -14.057 1.00 0.00 C ATOM 306 CD ARG A 45 3.004 5.650 -14.263 1.00 0.00 C ATOM 307 NE ARG A 45 2.437 6.489 -15.318 1.00 0.00 N ATOM 308 CZ ARG A 45 2.413 7.819 -15.279 1.00 0.00 C ATOM 309 NH1 ARG A 45 2.914 8.469 -14.237 1.00 0.00 N ATOM 310 NH2 ARG A 45 1.883 8.502 -16.285 1.00 0.00 N ATOM 0 H ARG A 45 5.458 6.839 -11.482 1.00 0.00 H new ATOM 0 HA ARG A 45 3.433 4.775 -11.739 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.174 5.116 -13.006 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.984 3.915 -13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.631 6.927 -13.690 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.006 5.842 -15.014 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.853 4.600 -14.515 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.472 5.833 -13.330 1.00 0.00 H new ATOM 0 HE ARG A 45 2.035 6.027 -16.134 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.321 7.949 -13.459 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.892 9.489 -14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.494 8.008 -17.088 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.864 9.521 -16.256 1.00 0.00 H new ATOM 324 N ILE A 46 4.454 2.858 -10.482 1.00 0.00 N ATOM 325 CA ILE A 46 4.999 1.804 -9.632 1.00 0.00 C ATOM 326 C ILE A 46 6.348 1.323 -10.164 1.00 0.00 C ATOM 327 O ILE A 46 7.331 1.262 -9.425 1.00 0.00 O ATOM 328 CB ILE A 46 4.036 0.603 -9.527 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.740 1.020 -8.826 1.00 0.00 C ATOM 330 CG2 ILE A 46 4.698 -0.551 -8.785 1.00 0.00 C ATOM 331 CD1 ILE A 46 1.707 -0.084 -8.746 1.00 0.00 C ATOM 0 H ILE A 46 3.506 2.687 -10.816 1.00 0.00 H new ATOM 0 HA ILE A 46 5.131 2.232 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 46 3.792 0.266 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.976 1.358 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.309 1.870 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.003 -1.389 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.594 -0.863 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.971 -0.229 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.817 0.286 -8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.441 -0.407 -9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.118 -0.927 -8.191 1.00 0.00 H new ATOM 343 N GLY A 47 6.387 0.995 -11.451 1.00 0.00 N ATOM 344 CA GLY A 47 7.621 0.536 -12.064 1.00 0.00 C ATOM 345 C GLY A 47 7.388 -0.557 -13.087 1.00 0.00 C ATOM 346 O GLY A 47 6.331 -0.612 -13.717 1.00 0.00 O ATOM 0 H GLY A 47 5.586 1.039 -12.081 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.120 1.378 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.293 0.167 -11.289 1.00 0.00 H new ATOM 350 N ASP A 48 8.374 -1.434 -13.250 1.00 0.00 N ATOM 351 CA ASP A 48 8.269 -2.537 -14.197 1.00 0.00 C ATOM 352 C ASP A 48 7.520 -3.711 -13.573 1.00 0.00 C ATOM 353 O ASP A 48 6.657 -4.319 -14.208 1.00 0.00 O ATOM 354 CB ASP A 48 9.659 -2.973 -14.671 1.00 0.00 C ATOM 355 CG ASP A 48 10.581 -3.358 -13.528 1.00 0.00 C ATOM 356 OD1 ASP A 48 10.296 -4.364 -12.845 1.00 0.00 O ATOM 357 OD2 ASP A 48 11.590 -2.653 -13.318 1.00 0.00 O ATOM 0 H ASP A 48 9.255 -1.401 -12.738 1.00 0.00 H new ATOM 0 HA ASP A 48 7.704 -2.193 -15.063 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.557 -3.820 -15.349 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.114 -2.162 -15.240 1.00 0.00 H new ATOM 362 N ASN A 49 7.855 -4.020 -12.325 1.00 0.00 N ATOM 363 CA ASN A 49 7.217 -5.114 -11.604 1.00 0.00 C ATOM 364 C ASN A 49 5.806 -4.709 -11.166 1.00 0.00 C ATOM 365 O ASN A 49 4.992 -4.285 -11.986 1.00 0.00 O ATOM 366 CB ASN A 49 8.070 -5.515 -10.394 1.00 0.00 C ATOM 367 CG ASN A 49 7.584 -6.786 -9.714 1.00 0.00 C ATOM 368 OD1 ASN A 49 6.544 -7.405 -10.266 1.00 0.00 O flip ATOM 369 ND2 ASN A 49 8.142 -7.210 -8.702 1.00 0.00 N flip ATOM 0 H ASN A 49 8.569 -3.525 -11.790 1.00 0.00 H new ATOM 0 HA ASN A 49 7.134 -5.975 -12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.102 -5.654 -10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.069 -4.700 -9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.937 -6.706 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.809 -8.065 -8.257 1.00 0.00 H new ATOM 376 N PHE A 50 5.526 -4.838 -9.871 1.00 0.00 N ATOM 377 CA PHE A 50 4.224 -4.484 -9.323 1.00 0.00 C ATOM 378 C PHE A 50 4.290 -4.485 -7.801 1.00 0.00 C ATOM 379 O PHE A 50 3.804 -3.565 -7.145 1.00 0.00 O ATOM 380 CB PHE A 50 3.156 -5.469 -9.804 1.00 0.00 C ATOM 381 CG PHE A 50 1.765 -5.128 -9.344 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.249 -3.855 -9.528 1.00 0.00 C ATOM 383 CD2 PHE A 50 0.972 -6.085 -8.729 1.00 0.00 C ATOM 384 CE1 PHE A 50 -0.030 -3.542 -9.108 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.308 -5.778 -8.308 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.809 -4.506 -8.497 1.00 0.00 C ATOM 0 H PHE A 50 6.190 -5.188 -9.180 1.00 0.00 H new ATOM 0 HA PHE A 50 3.955 -3.486 -9.670 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.170 -5.503 -10.893 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.411 -6.468 -9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.854 -3.098 -10.005 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.359 -7.082 -8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.420 -2.546 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.916 -6.533 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.809 -4.264 -8.168 1.00 0.00 H new ATOM 396 N MET A 51 4.910 -5.525 -7.252 1.00 0.00 N ATOM 397 CA MET A 51 5.064 -5.660 -5.808 1.00 0.00 C ATOM 398 C MET A 51 6.233 -4.816 -5.325 1.00 0.00 C ATOM 399 O MET A 51 6.164 -4.182 -4.273 1.00 0.00 O ATOM 400 CB MET A 51 5.300 -7.122 -5.442 1.00 0.00 C ATOM 401 CG MET A 51 4.375 -8.070 -6.164 1.00 0.00 C ATOM 402 SD MET A 51 2.644 -7.746 -5.790 1.00 0.00 S ATOM 403 CE MET A 51 1.872 -9.100 -6.659 1.00 0.00 C ATOM 0 H MET A 51 5.316 -6.291 -7.790 1.00 0.00 H new ATOM 0 HA MET A 51 4.151 -5.313 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.332 -7.386 -5.672 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.171 -7.246 -4.367 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.535 -7.984 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.619 -9.095 -5.887 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.970 -8.745 -7.157 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.564 -9.498 -7.401 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.610 -9.885 -5.950 1.00 0.00 H new ATOM 413 N ASP A 52 7.310 -4.826 -6.105 1.00 0.00 N ATOM 414 CA ASP A 52 8.514 -4.069 -5.768 1.00 0.00 C ATOM 415 C ASP A 52 8.174 -2.620 -5.434 1.00 0.00 C ATOM 416 O ASP A 52 8.612 -2.091 -4.413 1.00 0.00 O ATOM 417 CB ASP A 52 9.511 -4.118 -6.931 1.00 0.00 C ATOM 418 CG ASP A 52 10.821 -3.424 -6.608 1.00 0.00 C ATOM 419 OD1 ASP A 52 10.974 -2.937 -5.468 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.698 -3.371 -7.497 1.00 0.00 O ATOM 0 H ASP A 52 7.375 -5.351 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 52 8.967 -4.526 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.710 -5.158 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.063 -3.651 -7.808 1.00 0.00 H new ATOM 425 N GLY A 53 7.385 -1.986 -6.297 1.00 0.00 N ATOM 426 CA GLY A 53 6.993 -0.606 -6.067 1.00 0.00 C ATOM 427 C GLY A 53 6.225 -0.441 -4.771 1.00 0.00 C ATOM 428 O GLY A 53 6.299 0.600 -4.120 1.00 0.00 O ATOM 0 H GLY A 53 7.011 -2.402 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.882 0.024 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.379 -0.260 -6.899 1.00 0.00 H new ATOM 432 N LEU A 54 5.482 -1.476 -4.403 1.00 0.00 N ATOM 433 CA LEU A 54 4.689 -1.461 -3.181 1.00 0.00 C ATOM 434 C LEU A 54 5.579 -1.650 -1.952 1.00 0.00 C ATOM 435 O LEU A 54 5.304 -1.108 -0.882 1.00 0.00 O ATOM 436 CB LEU A 54 3.633 -2.568 -3.230 1.00 0.00 C ATOM 437 CG LEU A 54 2.763 -2.587 -4.490 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.802 -3.765 -4.455 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.998 -1.281 -4.639 1.00 0.00 C ATOM 0 H LEU A 54 5.412 -2.342 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 54 4.196 -0.492 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.136 -3.531 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.983 -2.466 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 54 3.418 -2.698 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.191 -3.763 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.368 -4.695 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.157 -3.682 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.387 -1.318 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.355 -1.135 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.703 -0.453 -4.712 1.00 0.00 H new ATOM 451 N LYS A 55 6.636 -2.445 -2.117 1.00 0.00 N ATOM 452 CA LYS A 55 7.567 -2.742 -1.029 1.00 0.00 C ATOM 453 C LYS A 55 8.115 -1.475 -0.372 1.00 0.00 C ATOM 454 O LYS A 55 8.008 -1.307 0.842 1.00 0.00 O ATOM 455 CB LYS A 55 8.720 -3.600 -1.550 1.00 0.00 C ATOM 456 CG LYS A 55 8.281 -4.966 -2.055 1.00 0.00 C ATOM 457 CD LYS A 55 9.427 -5.720 -2.712 1.00 0.00 C ATOM 458 CE LYS A 55 10.624 -5.824 -1.786 1.00 0.00 C ATOM 459 NZ LYS A 55 11.724 -6.631 -2.382 1.00 0.00 N ATOM 0 H LYS A 55 6.870 -2.898 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 55 7.013 -3.290 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.222 -3.067 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.451 -3.734 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.889 -5.552 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.468 -4.845 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.094 -6.719 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.719 -5.212 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.992 -4.824 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.314 -6.274 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.522 -6.676 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.382 -7.593 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.038 -6.188 -3.269 1.00 0.00 H new ATOM 473 N ASP A 56 8.708 -0.592 -1.168 1.00 0.00 N ATOM 474 CA ASP A 56 9.271 0.647 -0.635 1.00 0.00 C ATOM 475 C ASP A 56 8.199 1.481 0.061 1.00 0.00 C ATOM 476 O ASP A 56 8.462 2.118 1.081 1.00 0.00 O ATOM 477 CB ASP A 56 9.943 1.462 -1.743 1.00 0.00 C ATOM 478 CG ASP A 56 9.046 1.670 -2.945 1.00 0.00 C ATOM 479 OD1 ASP A 56 8.721 0.671 -3.618 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.669 2.830 -3.212 1.00 0.00 O ATOM 0 H ASP A 56 8.812 -0.708 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 56 10.027 0.378 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.240 2.432 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.854 0.955 -2.059 1.00 0.00 H new ATOM 485 N GLY A 57 6.992 1.469 -0.494 1.00 0.00 N ATOM 486 CA GLY A 57 5.898 2.225 0.087 1.00 0.00 C ATOM 487 C GLY A 57 6.099 3.721 -0.031 1.00 0.00 C ATOM 488 O GLY A 57 6.972 4.292 0.623 1.00 0.00 O ATOM 0 H GLY A 57 6.751 0.948 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.967 1.947 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.794 1.958 1.139 1.00 0.00 H new ATOM 492 N VAL A 58 5.273 4.353 -0.860 1.00 0.00 N ATOM 493 CA VAL A 58 5.330 5.799 -1.081 1.00 0.00 C ATOM 494 C VAL A 58 4.004 6.290 -1.638 1.00 0.00 C ATOM 495 O VAL A 58 3.349 7.149 -1.055 1.00 0.00 O ATOM 496 CB VAL A 58 6.433 6.199 -2.086 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.463 7.710 -2.264 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.799 5.690 -1.655 1.00 0.00 C ATOM 0 H VAL A 58 4.546 3.881 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 58 5.550 6.252 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 58 6.194 5.732 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.245 7.977 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.499 8.051 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.667 8.185 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.548 5.992 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.053 6.110 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.777 4.602 -1.586 1.00 0.00 H new ATOM 508 N ILE A 59 3.616 5.733 -2.779 1.00 0.00 N ATOM 509 CA ILE A 59 2.370 6.103 -3.425 1.00 0.00 C ATOM 510 C ILE A 59 1.176 5.543 -2.664 1.00 0.00 C ATOM 511 O ILE A 59 0.168 6.224 -2.493 1.00 0.00 O ATOM 512 CB ILE A 59 2.323 5.615 -4.888 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.274 6.437 -5.755 1.00 0.00 C ATOM 514 CG2 ILE A 59 0.906 5.691 -5.437 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.744 6.168 -5.515 1.00 0.00 C ATOM 0 H ILE A 59 4.152 5.021 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 59 2.319 7.192 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 59 2.643 4.573 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.049 6.240 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.079 7.495 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.897 5.342 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.249 5.063 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.556 6.723 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.341 6.797 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.991 6.394 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.960 5.119 -5.719 1.00 0.00 H new ATOM 527 N LEU A 60 1.297 4.301 -2.204 1.00 0.00 N ATOM 528 CA LEU A 60 0.225 3.661 -1.454 1.00 0.00 C ATOM 529 C LEU A 60 -0.133 4.490 -0.230 1.00 0.00 C ATOM 530 O LEU A 60 -1.308 4.701 0.071 1.00 0.00 O ATOM 531 CB LEU A 60 0.632 2.250 -1.024 1.00 0.00 C ATOM 532 CG LEU A 60 0.945 1.284 -2.167 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.312 -0.085 -1.613 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.236 1.178 -3.121 1.00 0.00 C ATOM 0 H LEU A 60 2.125 3.720 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.647 3.590 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.509 2.323 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.171 1.826 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 60 1.797 1.673 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.533 -0.764 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.189 0.005 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.477 -0.478 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.008 0.486 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.109 0.812 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.454 2.160 -3.540 1.00 0.00 H new ATOM 546 N CYS A 61 0.892 4.968 0.467 1.00 0.00 N ATOM 547 CA CYS A 61 0.690 5.784 1.655 1.00 0.00 C ATOM 548 C CYS A 61 -0.010 7.083 1.269 1.00 0.00 C ATOM 549 O CYS A 61 -0.884 7.573 1.983 1.00 0.00 O ATOM 550 CB CYS A 61 2.031 6.080 2.334 1.00 0.00 C ATOM 551 SG CYS A 61 2.904 7.519 1.679 1.00 0.00 S ATOM 0 H CYS A 61 1.870 4.804 0.229 1.00 0.00 H new ATOM 0 HA CYS A 61 0.064 5.238 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.858 6.230 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.674 5.205 2.235 1.00 0.00 H new ATOM 0 HG CYS A 61 3.430 7.221 0.528 1.00 0.00 H new ATOM 557 N GLU A 62 0.387 7.628 0.125 1.00 0.00 N ATOM 558 CA GLU A 62 -0.185 8.865 -0.392 1.00 0.00 C ATOM 559 C GLU A 62 -1.630 8.665 -0.842 1.00 0.00 C ATOM 560 O GLU A 62 -2.459 9.569 -0.725 1.00 0.00 O ATOM 561 CB GLU A 62 0.660 9.371 -1.563 1.00 0.00 C ATOM 562 CG GLU A 62 2.060 9.797 -1.158 1.00 0.00 C ATOM 563 CD GLU A 62 2.856 10.362 -2.318 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.418 11.375 -2.903 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.920 9.792 -2.642 1.00 0.00 O ATOM 0 H GLU A 62 1.112 7.226 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.183 9.603 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.731 8.586 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.152 10.215 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.994 10.546 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.590 8.941 -0.741 1.00 0.00 H new ATOM 572 N LEU A 63 -1.919 7.482 -1.372 1.00 0.00 N ATOM 573 CA LEU A 63 -3.252 7.157 -1.862 1.00 0.00 C ATOM 574 C LEU A 63 -4.278 7.072 -0.735 1.00 0.00 C ATOM 575 O LEU A 63 -5.365 7.641 -0.838 1.00 0.00 O ATOM 576 CB LEU A 63 -3.211 5.837 -2.633 1.00 0.00 C ATOM 577 CG LEU A 63 -4.574 5.260 -3.004 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.363 6.243 -3.856 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.413 3.933 -3.729 1.00 0.00 C ATOM 0 H LEU A 63 -1.241 6.727 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.565 7.964 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.636 5.986 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.673 5.101 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.131 5.084 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.331 5.810 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.513 7.168 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.811 6.456 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.396 3.537 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.834 4.084 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.894 3.226 -3.082 1.00 0.00 H new ATOM 591 N ILE A 64 -3.943 6.352 0.332 1.00 0.00 N ATOM 592 CA ILE A 64 -4.863 6.197 1.453 1.00 0.00 C ATOM 593 C ILE A 64 -5.233 7.546 2.061 1.00 0.00 C ATOM 594 O ILE A 64 -6.377 7.759 2.449 1.00 0.00 O ATOM 595 CB ILE A 64 -4.293 5.276 2.549 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.304 5.103 3.682 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.977 5.818 3.082 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.596 4.442 3.248 1.00 0.00 C ATOM 0 H ILE A 64 -3.050 5.871 0.443 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.762 5.731 1.048 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.101 4.299 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.850 4.508 4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.531 6.081 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.595 5.151 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.254 5.883 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.137 6.809 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.264 4.353 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.073 5.047 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.381 3.450 2.850 1.00 0.00 H new ATOM 610 N ASN A 65 -4.271 8.460 2.135 1.00 0.00 N ATOM 611 CA ASN A 65 -4.536 9.782 2.689 1.00 0.00 C ATOM 612 C ASN A 65 -5.679 10.455 1.937 1.00 0.00 C ATOM 613 O ASN A 65 -6.409 11.273 2.497 1.00 0.00 O ATOM 614 CB ASN A 65 -3.283 10.660 2.639 1.00 0.00 C ATOM 615 CG ASN A 65 -2.208 10.190 3.601 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.451 10.048 4.799 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.010 9.959 3.082 1.00 0.00 N ATOM 0 H ASN A 65 -3.311 8.312 1.822 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.825 9.658 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.884 10.661 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.554 11.689 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.245 9.650 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.853 10.090 2.083 1.00 0.00 H new ATOM 624 N LYS A 66 -5.835 10.095 0.665 1.00 0.00 N ATOM 625 CA LYS A 66 -6.885 10.647 -0.166 1.00 0.00 C ATOM 626 C LYS A 66 -8.246 10.125 0.279 1.00 0.00 C ATOM 627 O LYS A 66 -9.161 10.900 0.558 1.00 0.00 O ATOM 628 CB LYS A 66 -6.632 10.269 -1.622 1.00 0.00 C ATOM 629 CG LYS A 66 -5.277 10.706 -2.172 1.00 0.00 C ATOM 630 CD LYS A 66 -5.107 12.222 -2.166 1.00 0.00 C ATOM 631 CE LYS A 66 -4.585 12.735 -0.832 1.00 0.00 C ATOM 632 NZ LYS A 66 -4.437 14.217 -0.828 1.00 0.00 N ATOM 0 H LYS A 66 -5.238 9.417 0.191 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.883 11.732 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.717 9.187 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.417 10.708 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.484 10.252 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.165 10.335 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.419 12.512 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.064 12.694 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.267 12.436 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.621 12.273 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.079 14.528 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.767 14.501 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.361 14.659 -1.008 1.00 0.00 H new ATOM 646 N LEU A 67 -8.367 8.802 0.347 1.00 0.00 N ATOM 647 CA LEU A 67 -9.609 8.168 0.764 1.00 0.00 C ATOM 648 C LEU A 67 -9.842 8.386 2.253 1.00 0.00 C ATOM 649 O LEU A 67 -10.852 8.962 2.658 1.00 0.00 O ATOM 650 CB LEU A 67 -9.566 6.671 0.454 1.00 0.00 C ATOM 651 CG LEU A 67 -9.299 6.321 -1.013 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.247 4.812 -1.199 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.363 6.932 -1.912 1.00 0.00 C ATOM 0 H LEU A 67 -7.617 8.149 0.118 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.433 8.620 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.793 6.210 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.516 6.226 0.751 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.332 6.738 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.057 4.581 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.448 4.397 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.199 4.375 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.155 6.672 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.343 6.546 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.354 8.016 -1.801 1.00 0.00 H new ATOM 665 N GLN A 68 -8.890 7.934 3.063 1.00 0.00 N ATOM 666 CA GLN A 68 -8.980 8.089 4.507 1.00 0.00 C ATOM 667 C GLN A 68 -8.187 9.316 4.963 1.00 0.00 C ATOM 668 O GLN A 68 -6.960 9.340 4.883 1.00 0.00 O ATOM 669 CB GLN A 68 -8.462 6.835 5.211 1.00 0.00 C ATOM 670 CG GLN A 68 -8.558 6.902 6.727 1.00 0.00 C ATOM 671 CD GLN A 68 -8.021 5.658 7.414 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.534 4.702 6.628 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.042 5.558 8.640 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.047 7.457 2.742 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.027 8.232 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.026 5.972 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.422 6.674 4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.006 7.772 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.600 7.047 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.424 6.315 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.677 4.718 9.090 1.00 0.00 H new ATOM 682 N PRO A 69 -8.890 10.356 5.435 1.00 0.00 N ATOM 683 CA PRO A 69 -8.267 11.600 5.895 1.00 0.00 C ATOM 684 C PRO A 69 -7.168 11.382 6.935 1.00 0.00 C ATOM 685 O PRO A 69 -7.371 10.691 7.933 1.00 0.00 O ATOM 686 CB PRO A 69 -9.432 12.360 6.527 1.00 0.00 C ATOM 687 CG PRO A 69 -10.645 11.840 5.854 1.00 0.00 C ATOM 688 CD PRO A 69 -10.357 10.406 5.532 1.00 0.00 C ATOM 0 HA PRO A 69 -7.774 12.120 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.475 12.191 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.329 13.435 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.518 11.927 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.862 12.407 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.729 9.739 6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.830 10.103 4.598 1.00 0.00 H new ATOM 696 N GLY A 70 -6.012 12.002 6.699 1.00 0.00 N ATOM 697 CA GLY A 70 -4.894 11.899 7.625 1.00 0.00 C ATOM 698 C GLY A 70 -4.533 10.472 7.997 1.00 0.00 C ATOM 699 O GLY A 70 -4.421 10.148 9.180 1.00 0.00 O ATOM 0 H GLY A 70 -5.829 12.578 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.022 12.380 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.135 12.451 8.533 1.00 0.00 H new ATOM 703 N SER A 71 -4.341 9.619 6.997 1.00 0.00 N ATOM 704 CA SER A 71 -3.981 8.228 7.250 1.00 0.00 C ATOM 705 C SER A 71 -2.517 8.106 7.661 1.00 0.00 C ATOM 706 O SER A 71 -2.201 7.987 8.845 1.00 0.00 O ATOM 707 CB SER A 71 -4.242 7.375 6.009 1.00 0.00 C ATOM 708 OG SER A 71 -5.618 7.361 5.682 1.00 0.00 O ATOM 0 H SER A 71 -4.428 9.863 6.010 1.00 0.00 H new ATOM 0 HA SER A 71 -4.602 7.867 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.669 7.766 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.896 6.356 6.185 1.00 0.00 H new ATOM 0 HG SER A 71 -5.818 8.104 5.075 1.00 0.00 H new ATOM 714 N VAL A 72 -1.629 8.134 6.673 1.00 0.00 N ATOM 715 CA VAL A 72 -0.196 8.024 6.922 1.00 0.00 C ATOM 716 C VAL A 72 0.419 9.384 7.238 1.00 0.00 C ATOM 717 O VAL A 72 0.110 10.382 6.586 1.00 0.00 O ATOM 718 CB VAL A 72 0.539 7.408 5.715 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.027 7.279 6.000 1.00 0.00 C ATOM 720 CG2 VAL A 72 -0.062 6.057 5.357 1.00 0.00 C ATOM 0 H VAL A 72 -1.878 8.232 5.689 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.077 7.368 7.785 1.00 0.00 H new ATOM 0 HB VAL A 72 0.415 8.074 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.527 6.842 5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.446 8.265 6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.177 6.637 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.469 5.637 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.028 5.382 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.115 6.183 5.103 1.00 0.00 H new ATOM 730 N GLN A 73 1.295 9.413 8.238 1.00 0.00 N ATOM 731 CA GLN A 73 1.961 10.648 8.637 1.00 0.00 C ATOM 732 C GLN A 73 2.959 11.099 7.568 1.00 0.00 C ATOM 733 O GLN A 73 2.687 10.989 6.371 1.00 0.00 O ATOM 734 CB GLN A 73 2.667 10.452 9.980 1.00 0.00 C ATOM 735 CG GLN A 73 3.658 9.301 9.980 1.00 0.00 C ATOM 736 CD GLN A 73 4.324 9.087 11.328 1.00 0.00 C ATOM 737 OE1 GLN A 73 3.972 9.911 12.311 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 5.151 8.188 11.485 1.00 0.00 N flip ATOM 0 H GLN A 73 1.560 8.595 8.787 1.00 0.00 H new ATOM 0 HA GLN A 73 1.207 11.428 8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.190 11.371 10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.919 10.277 10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.143 8.386 9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.425 9.490 9.229 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.394 7.577 10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.593 8.055 12.395 1.00 0.00 H new ATOM 747 N LYS A 74 4.112 11.603 8.001 1.00 0.00 N ATOM 748 CA LYS A 74 5.140 12.062 7.073 1.00 0.00 C ATOM 749 C LYS A 74 5.697 10.899 6.259 1.00 0.00 C ATOM 750 O LYS A 74 6.077 9.867 6.813 1.00 0.00 O ATOM 751 CB LYS A 74 6.273 12.752 7.836 1.00 0.00 C ATOM 752 CG LYS A 74 5.818 13.954 8.646 1.00 0.00 C ATOM 753 CD LYS A 74 6.980 14.597 9.387 1.00 0.00 C ATOM 754 CE LYS A 74 6.526 15.799 10.200 1.00 0.00 C ATOM 755 NZ LYS A 74 5.511 15.427 11.223 1.00 0.00 N ATOM 0 H LYS A 74 4.357 11.703 8.986 1.00 0.00 H new ATOM 0 HA LYS A 74 4.683 12.776 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.741 12.030 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.036 13.071 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.357 14.687 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.055 13.645 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.442 13.863 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.742 14.907 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.388 16.251 10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.109 16.552 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.378 16.219 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.608 15.212 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.837 14.590 11.747 1.00 0.00 H new ATOM 769 N VAL A 75 5.744 11.071 4.941 1.00 0.00 N ATOM 770 CA VAL A 75 6.257 10.034 4.053 1.00 0.00 C ATOM 771 C VAL A 75 7.770 9.897 4.189 1.00 0.00 C ATOM 772 O VAL A 75 8.504 10.880 4.075 1.00 0.00 O ATOM 773 CB VAL A 75 5.910 10.332 2.582 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.404 9.215 1.676 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.411 10.538 2.418 1.00 0.00 C ATOM 0 H VAL A 75 5.433 11.918 4.465 1.00 0.00 H new ATOM 0 HA VAL A 75 5.781 9.099 4.348 1.00 0.00 H new ATOM 0 HB VAL A 75 6.415 11.253 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.149 9.446 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.486 9.122 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.932 8.276 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.185 10.747 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.884 9.637 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.090 11.378 3.034 1.00 0.00 H new ATOM 785 N ASN A 76 8.232 8.674 4.431 1.00 0.00 N ATOM 786 CA ASN A 76 9.659 8.412 4.579 1.00 0.00 C ATOM 787 C ASN A 76 10.273 7.966 3.256 1.00 0.00 C ATOM 788 O ASN A 76 9.758 7.063 2.598 1.00 0.00 O ATOM 789 CB ASN A 76 9.900 7.333 5.636 1.00 0.00 C ATOM 790 CG ASN A 76 9.256 7.661 6.966 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.548 8.692 7.573 1.00 0.00 O ATOM 792 ND2 ASN A 76 8.378 6.779 7.426 1.00 0.00 N ATOM 0 H ASN A 76 7.639 7.850 4.529 1.00 0.00 H new ATOM 0 HA ASN A 76 10.134 9.341 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.510 6.382 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.973 7.204 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.912 6.941 8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.169 5.939 6.887 1.00 0.00 H new ATOM 799 N ASP A 77 11.385 8.589 2.882 1.00 0.00 N ATOM 800 CA ASP A 77 12.072 8.230 1.647 1.00 0.00 C ATOM 801 C ASP A 77 12.770 6.882 1.812 1.00 0.00 C ATOM 802 O ASP A 77 13.536 6.688 2.756 1.00 0.00 O ATOM 803 CB ASP A 77 13.090 9.308 1.269 1.00 0.00 C ATOM 804 CG ASP A 77 12.444 10.660 1.041 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.826 11.190 1.989 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.556 11.190 -0.084 1.00 0.00 O ATOM 0 H ASP A 77 11.827 9.340 3.412 1.00 0.00 H new ATOM 0 HA ASP A 77 11.336 8.153 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.835 9.393 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.618 9.004 0.365 1.00 0.00 H new ATOM 811 N PRO A 78 12.514 5.927 0.902 1.00 0.00 N ATOM 812 CA PRO A 78 13.126 4.597 0.973 1.00 0.00 C ATOM 813 C PRO A 78 14.636 4.642 0.763 1.00 0.00 C ATOM 814 O PRO A 78 15.114 5.046 -0.298 1.00 0.00 O ATOM 815 CB PRO A 78 12.442 3.829 -0.164 1.00 0.00 C ATOM 816 CG PRO A 78 11.986 4.882 -1.111 1.00 0.00 C ATOM 817 CD PRO A 78 11.612 6.058 -0.256 1.00 0.00 C ATOM 0 HA PRO A 78 12.993 4.137 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.132 3.136 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.603 3.239 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.775 5.144 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.135 4.539 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.763 7.002 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.564 6.023 0.043 1.00 0.00 H new ATOM 825 N VAL A 79 15.377 4.216 1.783 1.00 0.00 N ATOM 826 CA VAL A 79 16.837 4.196 1.732 1.00 0.00 C ATOM 827 C VAL A 79 17.391 3.139 2.680 1.00 0.00 C ATOM 828 O VAL A 79 18.121 2.238 2.267 1.00 0.00 O ATOM 829 CB VAL A 79 17.442 5.566 2.118 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.957 5.470 2.236 1.00 0.00 C ATOM 831 CG2 VAL A 79 17.053 6.637 1.112 1.00 0.00 C ATOM 0 H VAL A 79 14.986 3.877 2.662 1.00 0.00 H new ATOM 0 HA VAL A 79 17.114 3.962 0.704 1.00 0.00 H new ATOM 0 HB VAL A 79 17.037 5.850 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.363 6.444 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.217 4.741 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.377 5.156 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.492 7.590 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.421 6.359 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.967 6.731 1.082 1.00 0.00 H new ATOM 841 N GLN A 80 17.035 3.258 3.954 1.00 0.00 N ATOM 842 CA GLN A 80 17.489 2.318 4.969 1.00 0.00 C ATOM 843 C GLN A 80 16.661 1.035 4.928 1.00 0.00 C ATOM 844 O GLN A 80 16.552 0.395 3.881 1.00 0.00 O ATOM 845 CB GLN A 80 17.427 2.966 6.354 1.00 0.00 C ATOM 846 CG GLN A 80 18.258 4.233 6.461 1.00 0.00 C ATOM 847 CD GLN A 80 18.265 4.817 7.858 1.00 0.00 C ATOM 848 OE1 GLN A 80 17.217 5.141 8.415 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.454 4.957 8.431 1.00 0.00 N ATOM 0 H GLN A 80 16.431 4.000 4.308 1.00 0.00 H new ATOM 0 HA GLN A 80 18.525 2.053 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.389 3.199 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.772 2.249 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.282 4.016 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.870 4.976 5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 80 20.297 4.675 7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 80 19.524 5.347 9.371 1.00 0.00 H new ATOM 858 N ASN A 81 16.078 0.657 6.065 1.00 0.00 N ATOM 859 CA ASN A 81 15.269 -0.554 6.135 1.00 0.00 C ATOM 860 C ASN A 81 13.941 -0.292 6.839 1.00 0.00 C ATOM 861 O ASN A 81 12.884 -0.707 6.362 1.00 0.00 O ATOM 862 CB ASN A 81 16.032 -1.660 6.865 1.00 0.00 C ATOM 863 CG ASN A 81 17.331 -2.025 6.173 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.221 -1.188 6.017 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.446 -3.279 5.752 1.00 0.00 N ATOM 0 H ASN A 81 16.151 1.170 6.944 1.00 0.00 H new ATOM 0 HA ASN A 81 15.059 -0.874 5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.245 -1.338 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.401 -2.546 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.297 -3.582 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.683 -3.939 5.902 1.00 0.00 H new ATOM 872 N TRP A 82 13.997 0.390 7.980 1.00 0.00 N ATOM 873 CA TRP A 82 12.793 0.692 8.745 1.00 0.00 C ATOM 874 C TRP A 82 11.918 1.721 8.031 1.00 0.00 C ATOM 875 O TRP A 82 10.729 1.842 8.325 1.00 0.00 O ATOM 876 CB TRP A 82 13.150 1.157 10.163 1.00 0.00 C ATOM 877 CG TRP A 82 14.012 2.382 10.220 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.377 2.420 10.259 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.569 3.741 10.290 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.810 3.722 10.329 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.720 4.552 10.352 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.314 4.354 10.299 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.650 5.942 10.424 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.245 5.734 10.371 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.407 6.514 10.432 1.00 0.00 C ATOM 0 H TRP A 82 14.860 0.742 8.393 1.00 0.00 H new ATOM 0 HA TRP A 82 12.213 -0.227 8.826 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.228 1.352 10.710 1.00 0.00 H new ATOM 0 HB3 TRP A 82 13.661 0.345 10.680 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.021 1.554 10.238 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.784 4.022 10.359 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.413 3.761 10.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.544 6.546 10.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.279 6.218 10.380 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.320 7.589 10.486 1.00 0.00 H new ATOM 896 N HIS A 83 12.505 2.453 7.084 1.00 0.00 N ATOM 897 CA HIS A 83 11.758 3.455 6.325 1.00 0.00 C ATOM 898 C HIS A 83 10.585 2.815 5.589 1.00 0.00 C ATOM 899 O HIS A 83 9.437 3.225 5.754 1.00 0.00 O ATOM 900 CB HIS A 83 12.669 4.152 5.308 1.00 0.00 C ATOM 901 CG HIS A 83 13.717 5.028 5.918 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.664 5.698 5.170 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.959 5.357 7.207 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.443 6.398 5.975 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.035 6.209 7.215 1.00 0.00 N ATOM 0 H HIS A 83 13.488 2.372 6.826 1.00 0.00 H new ATOM 0 HA HIS A 83 11.378 4.190 7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.157 3.394 4.696 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.054 4.754 4.639 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.749 5.659 4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.408 5.013 8.070 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.272 7.019 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.452 6.628 8.046 1.00 0.00 H new ATOM 914 N LYS A 84 10.889 1.807 4.776 1.00 0.00 N ATOM 915 CA LYS A 84 9.867 1.107 4.005 1.00 0.00 C ATOM 916 C LYS A 84 8.872 0.406 4.924 1.00 0.00 C ATOM 917 O LYS A 84 7.662 0.495 4.725 1.00 0.00 O ATOM 918 CB LYS A 84 10.519 0.087 3.070 1.00 0.00 C ATOM 919 CG LYS A 84 11.540 0.696 2.120 1.00 0.00 C ATOM 920 CD LYS A 84 12.162 -0.361 1.221 1.00 0.00 C ATOM 921 CE LYS A 84 13.174 0.248 0.265 1.00 0.00 C ATOM 922 NZ LYS A 84 13.791 -0.779 -0.619 1.00 0.00 N ATOM 0 H LYS A 84 11.836 1.457 4.634 1.00 0.00 H new ATOM 0 HA LYS A 84 9.326 1.845 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.006 -0.683 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.742 -0.407 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.060 1.459 1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.322 1.193 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.649 -1.120 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.379 -0.863 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.685 1.007 -0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.954 0.752 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.475 -0.323 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.279 -1.489 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.050 -1.243 -1.182 1.00 0.00 H new ATOM 936 N LEU A 85 9.392 -0.293 5.927 1.00 0.00 N ATOM 937 CA LEU A 85 8.559 -1.013 6.879 1.00 0.00 C ATOM 938 C LEU A 85 7.572 -0.081 7.571 1.00 0.00 C ATOM 939 O LEU A 85 6.447 -0.472 7.882 1.00 0.00 O ATOM 940 CB LEU A 85 9.439 -1.705 7.918 1.00 0.00 C ATOM 941 CG LEU A 85 10.363 -2.792 7.367 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.248 -3.349 8.471 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.550 -3.904 6.722 1.00 0.00 C ATOM 0 H LEU A 85 10.394 -0.375 6.101 1.00 0.00 H new ATOM 0 HA LEU A 85 7.986 -1.760 6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.048 -0.950 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.796 -2.148 8.679 1.00 0.00 H new ATOM 0 HG LEU A 85 11.003 -2.347 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.899 -4.121 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.856 -2.547 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.625 -3.779 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.223 -4.669 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.886 -4.347 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.958 -3.494 5.904 1.00 0.00 H new ATOM 955 N GLU A 86 8.002 1.151 7.816 1.00 0.00 N ATOM 956 CA GLU A 86 7.157 2.137 8.477 1.00 0.00 C ATOM 957 C GLU A 86 6.065 2.629 7.535 1.00 0.00 C ATOM 958 O GLU A 86 4.902 2.734 7.922 1.00 0.00 O ATOM 959 CB GLU A 86 8.000 3.309 8.986 1.00 0.00 C ATOM 960 CG GLU A 86 7.200 4.349 9.749 1.00 0.00 C ATOM 961 CD GLU A 86 8.080 5.338 10.487 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.916 5.995 9.834 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.932 5.457 11.722 1.00 0.00 O ATOM 0 H GLU A 86 8.931 1.491 7.567 1.00 0.00 H new ATOM 0 HA GLU A 86 6.678 1.661 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.789 2.924 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.488 3.789 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.557 4.889 9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.547 3.847 10.463 1.00 0.00 H new ATOM 970 N ASN A 87 6.444 2.919 6.293 1.00 0.00 N ATOM 971 CA ASN A 87 5.494 3.384 5.300 1.00 0.00 C ATOM 972 C ASN A 87 4.410 2.337 5.070 1.00 0.00 C ATOM 973 O ASN A 87 3.231 2.666 4.948 1.00 0.00 O ATOM 974 CB ASN A 87 6.210 3.691 3.987 1.00 0.00 C ATOM 975 CG ASN A 87 7.195 4.837 4.110 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.839 5.933 4.542 1.00 0.00 O ATOM 977 ND2 ASN A 87 8.439 4.592 3.717 1.00 0.00 N ATOM 0 H ASN A 87 7.403 2.839 5.955 1.00 0.00 H new ATOM 0 HA ASN A 87 5.027 4.297 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.737 2.799 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.471 3.933 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.144 5.328 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.690 3.668 3.365 1.00 0.00 H new ATOM 984 N ILE A 88 4.822 1.073 5.016 1.00 0.00 N ATOM 985 CA ILE A 88 3.883 -0.025 4.805 1.00 0.00 C ATOM 986 C ILE A 88 2.991 -0.220 6.025 1.00 0.00 C ATOM 987 O ILE A 88 1.786 -0.437 5.898 1.00 0.00 O ATOM 988 CB ILE A 88 4.607 -1.353 4.510 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.579 -1.192 3.339 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.590 -2.445 4.210 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.380 -2.444 3.043 1.00 0.00 C ATOM 0 H ILE A 88 5.795 0.785 5.115 1.00 0.00 H new ATOM 0 HA ILE A 88 3.278 0.248 3.940 1.00 0.00 H new ATOM 0 HB ILE A 88 5.182 -1.638 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.019 -0.909 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.265 -0.374 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.111 -3.380 4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.934 -2.578 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.996 -2.160 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.048 -2.258 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.968 -2.716 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.701 -3.260 2.794 1.00 0.00 H new ATOM 1003 N GLY A 89 3.596 -0.151 7.208 1.00 0.00 N ATOM 1004 CA GLY A 89 2.852 -0.331 8.441 1.00 0.00 C ATOM 1005 C GLY A 89 1.674 0.615 8.560 1.00 0.00 C ATOM 1006 O GLY A 89 0.576 0.199 8.924 1.00 0.00 O ATOM 0 H GLY A 89 4.592 0.027 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.494 -1.359 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.520 -0.180 9.289 1.00 0.00 H new ATOM 1010 N ASN A 90 1.902 1.888 8.257 1.00 0.00 N ATOM 1011 CA ASN A 90 0.847 2.892 8.335 1.00 0.00 C ATOM 1012 C ASN A 90 -0.249 2.617 7.310 1.00 0.00 C ATOM 1013 O ASN A 90 -1.435 2.774 7.600 1.00 0.00 O ATOM 1014 CB ASN A 90 1.424 4.292 8.117 1.00 0.00 C ATOM 1015 CG ASN A 90 2.453 4.665 9.162 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.174 4.645 10.361 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.649 5.017 8.712 1.00 0.00 N ATOM 0 H ASN A 90 2.807 2.249 7.955 1.00 0.00 H new ATOM 0 HA ASN A 90 0.408 2.839 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.880 4.343 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.614 5.021 8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.382 5.286 9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.836 5.019 7.709 1.00 0.00 H new ATOM 1024 N PHE A 91 0.155 2.212 6.109 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.794 1.923 5.039 1.00 0.00 C ATOM 1026 C PHE A 91 -1.751 0.802 5.441 1.00 0.00 C ATOM 1027 O PHE A 91 -2.969 0.950 5.344 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.047 1.537 3.760 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.949 1.251 2.592 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.977 2.120 2.261 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.768 0.111 1.824 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.806 1.858 1.187 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.594 -0.156 0.749 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.615 0.719 0.430 1.00 0.00 C ATOM 0 H PHE A 91 1.133 2.077 5.853 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.379 2.824 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.635 2.344 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.564 0.657 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.132 3.012 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.028 -0.577 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.603 2.544 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.442 -1.048 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.262 0.512 -0.410 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.192 -0.316 5.893 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.998 -1.459 6.311 1.00 0.00 C ATOM 1046 C LEU A 92 -2.795 -1.139 7.567 1.00 0.00 C ATOM 1047 O LEU A 92 -3.972 -1.469 7.662 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.110 -2.680 6.547 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.491 -3.270 5.282 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.531 -4.341 5.636 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.574 -3.845 4.384 1.00 0.00 C ATOM 0 H LEU A 92 -0.185 -0.455 5.979 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.702 -1.683 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.309 -2.403 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.700 -3.452 7.041 1.00 0.00 H new ATOM 0 HG LEU A 92 0.021 -2.473 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.961 -4.750 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.322 -3.902 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.043 -5.139 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.118 -4.262 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.110 -4.630 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.271 -3.056 4.104 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.150 -0.491 8.525 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.809 -0.123 9.771 1.00 0.00 C ATOM 1065 C ARG A 93 -4.028 0.746 9.488 1.00 0.00 C ATOM 1066 O ARG A 93 -5.069 0.607 10.132 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.835 0.625 10.684 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.447 1.068 12.002 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.458 1.857 12.837 1.00 0.00 C ATOM 1070 NE ARG A 93 -2.035 2.294 14.105 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.370 3.001 15.014 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -0.108 3.349 14.796 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -1.965 3.359 16.143 1.00 0.00 N ATOM 0 H ARG A 93 -1.172 -0.209 8.465 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.135 -1.034 10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.978 -0.017 10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.457 1.501 10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.329 1.678 11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.781 0.194 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.578 1.244 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.121 2.727 12.273 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.003 2.043 14.305 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.354 3.074 13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.400 3.891 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.934 3.092 16.316 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.454 3.901 16.839 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.883 1.645 8.523 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.960 2.549 8.144 1.00 0.00 C ATOM 1089 C ALA A 94 -6.111 1.807 7.466 1.00 0.00 C ATOM 1090 O ALA A 94 -7.274 2.043 7.784 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.429 3.642 7.230 1.00 0.00 C ATOM 0 H ALA A 94 -3.024 1.767 7.986 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.350 3.000 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.243 4.312 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.655 4.207 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.008 3.192 6.331 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.784 0.925 6.523 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.807 0.171 5.798 1.00 0.00 C ATOM 1099 C ILE A 95 -7.481 -0.871 6.689 1.00 0.00 C ATOM 1100 O ILE A 95 -8.696 -1.063 6.623 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.232 -0.522 4.543 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.248 -1.631 4.928 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.558 0.502 3.641 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.714 -2.406 3.742 1.00 0.00 C ATOM 0 H ILE A 95 -4.826 0.715 6.244 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.554 0.900 5.483 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.057 -0.982 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.411 -1.191 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.742 -2.322 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.156 0.002 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.287 1.251 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.747 0.987 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.024 -3.174 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.542 -2.876 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.191 -1.727 3.069 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.689 -1.537 7.523 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.205 -2.553 8.428 1.00 0.00 C ATOM 1118 C LYS A 96 -8.234 -1.949 9.376 1.00 0.00 C ATOM 1119 O LYS A 96 -9.279 -2.543 9.641 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.057 -3.184 9.222 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.126 -4.043 8.383 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.024 -4.676 9.223 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.592 -5.592 10.296 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.519 -6.216 11.118 1.00 0.00 N ATOM 0 H LYS A 96 -5.682 -1.389 7.589 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.693 -3.329 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.477 -2.391 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.475 -3.794 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.701 -4.826 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.679 -3.433 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.354 -5.244 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.428 -3.893 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.260 -5.023 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.191 -6.373 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.947 -6.833 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.896 -6.780 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.963 -5.472 11.586 1.00 0.00 H new ATOM 1138 N HIS A 97 -7.929 -0.757 9.873 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.818 -0.049 10.783 1.00 0.00 C ATOM 1140 C HIS A 97 -9.939 0.626 10.007 1.00 0.00 C ATOM 1141 O HIS A 97 -11.074 0.715 10.476 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.037 0.995 11.581 1.00 0.00 C ATOM 1143 CG HIS A 97 -8.862 1.705 12.609 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.500 1.055 13.643 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.153 3.020 12.757 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.148 1.937 14.383 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -9.953 3.136 13.867 1.00 0.00 N ATOM 0 H HIS A 97 -7.066 -0.258 9.659 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.252 -0.771 11.474 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.196 0.508 12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.620 1.729 10.892 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.818 3.826 12.121 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.737 1.715 15.261 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.335 4.008 14.234 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.601 1.107 8.815 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.564 1.787 7.956 1.00 0.00 C ATOM 1158 C TYR A 98 -11.813 0.936 7.756 1.00 0.00 C ATOM 1159 O TYR A 98 -12.934 1.442 7.818 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.933 2.107 6.598 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.870 2.804 5.636 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.434 4.037 5.947 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -11.196 2.224 4.419 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -12.293 4.669 5.067 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -12.053 2.848 3.533 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.600 4.070 3.862 1.00 0.00 C ATOM 1167 OH TYR A 98 -13.455 4.696 2.985 1.00 0.00 O ATOM 0 H TYR A 98 -8.663 1.038 8.421 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.853 2.717 8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.056 2.735 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.584 1.180 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.197 4.508 6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.772 1.266 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.722 5.627 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.293 2.382 2.589 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.268 4.969 3.459 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.617 -0.358 7.516 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.749 -1.242 7.314 1.00 0.00 C ATOM 1179 C GLY A 99 -12.351 -2.624 6.831 1.00 0.00 C ATOM 1180 O GLY A 99 -12.877 -3.628 7.314 1.00 0.00 O ATOM 0 H GLY A 99 -10.702 -0.806 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.299 -1.336 8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.428 -0.793 6.589 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.435 -2.682 5.867 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.989 -3.957 5.317 1.00 0.00 C ATOM 1186 C VAL A 100 -10.484 -4.883 6.420 1.00 0.00 C ATOM 1187 O VAL A 100 -9.630 -4.502 7.221 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.871 -3.768 4.272 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.525 -5.097 3.617 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.289 -2.752 3.221 1.00 0.00 C ATOM 0 H VAL A 100 -10.989 -1.863 5.453 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.854 -4.407 4.830 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.984 -3.392 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.734 -4.946 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.184 -5.800 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.409 -5.499 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.488 -2.632 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.190 -3.101 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.490 -1.794 3.701 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.018 -6.099 6.453 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.623 -7.081 7.454 1.00 0.00 C ATOM 1202 C LYS A 101 -9.244 -7.654 7.146 1.00 0.00 C ATOM 1203 O LYS A 101 -8.879 -7.826 5.984 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.645 -8.215 7.533 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.043 -7.749 7.909 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.022 -8.911 7.986 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.627 -9.909 9.064 1.00 0.00 C ATOM 1208 NZ LYS A 101 -13.581 -9.281 10.414 1.00 0.00 N ATOM 0 H LYS A 101 -11.726 -6.428 5.797 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.582 -6.571 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.687 -8.723 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.306 -8.948 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.010 -7.237 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.395 -7.025 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.023 -8.531 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.064 -9.416 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.338 -10.735 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.651 -10.332 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.527 -10.023 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.744 -8.667 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.440 -8.713 10.562 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.463 -7.964 8.193 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.117 -8.531 8.048 1.00 0.00 C ATOM 1224 C PRO A 102 -7.105 -9.783 7.173 1.00 0.00 C ATOM 1225 O PRO A 102 -6.149 -10.029 6.438 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.713 -8.882 9.486 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.982 -8.834 10.271 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.828 -7.802 9.606 1.00 0.00 C ATOM 0 HA PRO A 102 -6.436 -7.833 7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.256 -9.870 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.982 -8.172 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.478 -9.805 10.274 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.789 -8.572 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.891 -7.977 9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.608 -6.799 9.971 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.175 -10.569 7.262 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.296 -11.798 6.484 1.00 0.00 C ATOM 1238 C HIS A 103 -8.094 -11.526 4.996 1.00 0.00 C ATOM 1239 O HIS A 103 -7.629 -12.392 4.254 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.666 -12.439 6.714 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.928 -12.796 8.145 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.898 -12.389 8.997 1.00 0.00 N flip ATOM 1243 CD2 HIS A 103 -9.138 -13.673 8.858 1.00 0.00 C flip ATOM 1244 CE1 HIS A 103 -10.680 -13.023 10.195 1.00 0.00 C flip ATOM 1245 NE2 HIS A 103 -9.612 -13.792 10.086 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.973 -10.375 7.867 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.518 -12.485 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.441 -11.753 6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.744 -13.339 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.267 -14.183 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.284 -12.911 11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.220 -14.378 10.823 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.440 -10.316 4.570 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.293 -9.917 3.179 1.00 0.00 C ATOM 1256 C ASP A 104 -7.234 -8.835 3.069 1.00 0.00 C ATOM 1257 O ASP A 104 -7.380 -7.875 2.312 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.627 -9.405 2.634 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.690 -10.486 2.593 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -11.018 -11.037 3.665 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.195 -10.780 1.489 1.00 0.00 O ATOM 0 H ASP A 104 -8.827 -9.591 5.175 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.985 -10.781 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.976 -8.579 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.478 -9.008 1.630 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.176 -8.994 3.852 1.00 0.00 N ATOM 1267 CA ILE A 105 -5.089 -8.028 3.879 1.00 0.00 C ATOM 1268 C ILE A 105 -3.748 -8.710 4.120 1.00 0.00 C ATOM 1269 O ILE A 105 -3.609 -9.528 5.030 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.318 -6.990 4.993 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.641 -6.257 4.781 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.166 -6.005 5.046 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -7.017 -5.347 5.929 1.00 0.00 C ATOM 0 H ILE A 105 -6.048 -9.788 4.480 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.071 -7.535 2.907 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.366 -7.515 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.578 -5.668 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.434 -6.990 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.345 -5.279 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.238 -6.541 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.086 -5.487 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.967 -4.859 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.112 -5.934 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.243 -4.591 6.063 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.758 -8.359 3.306 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.423 -8.927 3.440 1.00 0.00 C ATOM 1287 C PHE A 106 -0.725 -8.352 4.670 1.00 0.00 C ATOM 1288 O PHE A 106 -1.383 -7.908 5.611 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.606 -8.644 2.173 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.459 -7.179 1.854 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.553 -6.424 2.428 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.326 -6.561 0.968 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.693 -5.082 2.127 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -1.190 -5.221 0.663 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.180 -4.480 1.244 1.00 0.00 C ATOM 0 H PHE A 106 -2.856 -7.684 2.547 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.506 -10.006 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.386 -9.082 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.080 -9.144 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.240 -6.890 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.118 -7.134 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.485 -4.505 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.873 -4.753 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.074 -3.432 1.008 1.00 0.00 H new ATOM 1305 N GLU A 107 0.603 -8.349 4.656 1.00 0.00 N ATOM 1306 CA GLU A 107 1.372 -7.813 5.773 1.00 0.00 C ATOM 1307 C GLU A 107 2.666 -7.189 5.289 1.00 0.00 C ATOM 1308 O GLU A 107 3.257 -7.638 4.307 1.00 0.00 O ATOM 1309 CB GLU A 107 1.690 -8.900 6.796 1.00 0.00 C ATOM 1310 CG GLU A 107 0.468 -9.482 7.462 1.00 0.00 C ATOM 1311 CD GLU A 107 0.810 -10.505 8.527 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.509 -10.143 9.496 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.378 -11.670 8.391 1.00 0.00 O ATOM 0 H GLU A 107 1.168 -8.710 3.887 1.00 0.00 H new ATOM 0 HA GLU A 107 0.759 -7.047 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.240 -9.701 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.347 -8.486 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.113 -8.677 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.164 -9.948 6.707 1.00 0.00 H new ATOM 1320 N ALA A 108 3.106 -6.157 5.995 1.00 0.00 N ATOM 1321 CA ALA A 108 4.340 -5.474 5.655 1.00 0.00 C ATOM 1322 C ALA A 108 5.475 -6.476 5.504 1.00 0.00 C ATOM 1323 O ALA A 108 6.458 -6.215 4.813 1.00 0.00 O ATOM 1324 CB ALA A 108 4.680 -4.438 6.715 1.00 0.00 C ATOM 0 H ALA A 108 2.623 -5.776 6.809 1.00 0.00 H new ATOM 0 HA ALA A 108 4.204 -4.961 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.608 -3.934 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.875 -3.706 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.801 -4.931 7.680 1.00 0.00 H new ATOM 1330 N ASN A 109 5.330 -7.627 6.157 1.00 0.00 N ATOM 1331 CA ASN A 109 6.337 -8.668 6.101 1.00 0.00 C ATOM 1332 C ASN A 109 6.263 -9.436 4.784 1.00 0.00 C ATOM 1333 O ASN A 109 7.286 -9.734 4.172 1.00 0.00 O ATOM 1334 CB ASN A 109 6.146 -9.623 7.273 1.00 0.00 C ATOM 1335 CG ASN A 109 6.156 -8.908 8.607 1.00 0.00 C ATOM 1336 OD1 ASN A 109 5.333 -8.027 8.861 1.00 0.00 O ATOM 1337 ND2 ASN A 109 7.087 -9.285 9.466 1.00 0.00 N ATOM 0 H ASN A 109 4.519 -7.857 6.732 1.00 0.00 H new ATOM 0 HA ASN A 109 7.320 -8.202 6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.201 -10.154 7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.937 -10.373 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.145 -8.842 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.748 -10.019 9.212 1.00 0.00 H new ATOM 1344 N ASP A 110 5.047 -9.760 4.358 1.00 0.00 N ATOM 1345 CA ASP A 110 4.843 -10.499 3.117 1.00 0.00 C ATOM 1346 C ASP A 110 5.379 -9.719 1.921 1.00 0.00 C ATOM 1347 O ASP A 110 6.077 -10.269 1.068 1.00 0.00 O ATOM 1348 CB ASP A 110 3.356 -10.797 2.916 1.00 0.00 C ATOM 1349 CG ASP A 110 2.790 -11.683 4.009 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.287 -12.817 4.170 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.851 -11.241 4.704 1.00 0.00 O ATOM 0 H ASP A 110 4.188 -9.523 4.854 1.00 0.00 H new ATOM 0 HA ASP A 110 5.391 -11.438 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.801 -9.859 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.213 -11.281 1.950 1.00 0.00 H new ATOM 1356 N LEU A 111 5.038 -8.438 1.863 1.00 0.00 N ATOM 1357 CA LEU A 111 5.470 -7.573 0.772 1.00 0.00 C ATOM 1358 C LEU A 111 6.974 -7.302 0.834 1.00 0.00 C ATOM 1359 O LEU A 111 7.665 -7.356 -0.184 1.00 0.00 O ATOM 1360 CB LEU A 111 4.697 -6.253 0.824 1.00 0.00 C ATOM 1361 CG LEU A 111 5.010 -5.258 -0.296 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.620 -5.832 -1.650 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.288 -3.944 -0.048 1.00 0.00 C ATOM 0 H LEU A 111 4.460 -7.973 2.563 1.00 0.00 H new ATOM 0 HA LEU A 111 5.262 -8.083 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.630 -6.476 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.900 -5.771 1.781 1.00 0.00 H new ATOM 0 HG LEU A 111 6.084 -5.071 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.851 -5.109 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.178 -6.751 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.552 -6.048 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.519 -3.245 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.213 -4.120 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.614 -3.524 0.903 1.00 0.00 H new ATOM 1375 N PHE A 112 7.469 -6.995 2.030 1.00 0.00 N ATOM 1376 CA PHE A 112 8.888 -6.696 2.222 1.00 0.00 C ATOM 1377 C PHE A 112 9.769 -7.924 1.998 1.00 0.00 C ATOM 1378 O PHE A 112 10.687 -7.899 1.179 1.00 0.00 O ATOM 1379 CB PHE A 112 9.126 -6.154 3.632 1.00 0.00 C ATOM 1380 CG PHE A 112 10.544 -5.716 3.879 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.162 -4.810 3.030 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.258 -6.214 4.957 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.465 -4.409 3.254 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.562 -5.815 5.185 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.166 -4.913 4.332 1.00 0.00 C ATOM 0 H PHE A 112 6.910 -6.946 2.882 1.00 0.00 H new ATOM 0 HA PHE A 112 9.161 -5.944 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.459 -5.310 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.861 -6.923 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.619 -4.414 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.791 -6.921 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.935 -3.702 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.108 -6.209 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.185 -4.602 4.507 1.00 0.00 H new ATOM 1395 N GLU A 113 9.493 -8.990 2.743 1.00 0.00 N ATOM 1396 CA GLU A 113 10.269 -10.221 2.640 1.00 0.00 C ATOM 1397 C GLU A 113 10.043 -10.913 1.304 1.00 0.00 C ATOM 1398 O GLU A 113 10.716 -11.893 0.984 1.00 0.00 O ATOM 1399 CB GLU A 113 9.915 -11.170 3.784 1.00 0.00 C ATOM 1400 CG GLU A 113 10.268 -10.621 5.155 1.00 0.00 C ATOM 1401 CD GLU A 113 11.749 -10.326 5.301 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.558 -11.265 5.155 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.098 -9.155 5.561 1.00 0.00 O ATOM 0 H GLU A 113 8.736 -9.026 3.426 1.00 0.00 H new ATOM 0 HA GLU A 113 11.323 -9.953 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.847 -11.384 3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.435 -12.116 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.700 -9.708 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.967 -11.339 5.918 1.00 0.00 H new ATOM 1410 N ASN A 114 9.088 -10.405 0.531 1.00 0.00 N ATOM 1411 CA ASN A 114 8.773 -10.985 -0.768 1.00 0.00 C ATOM 1412 C ASN A 114 8.296 -12.424 -0.584 1.00 0.00 C ATOM 1413 O ASN A 114 8.516 -13.286 -1.434 1.00 0.00 O ATOM 1414 CB ASN A 114 10.010 -10.922 -1.677 1.00 0.00 C ATOM 1415 CG ASN A 114 9.717 -11.282 -3.123 1.00 0.00 C ATOM 1416 OD1 ASN A 114 9.450 -12.436 -3.451 1.00 0.00 O ATOM 1417 ND2 ASN A 114 9.766 -10.286 -3.999 1.00 0.00 N ATOM 0 H ASN A 114 8.521 -9.595 0.782 1.00 0.00 H new ATOM 0 HA ASN A 114 7.973 -10.417 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.429 -9.916 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.771 -11.599 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.578 -10.465 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.991 -9.342 -3.686 1.00 0.00 H new ATOM 1424 N THR A 115 7.641 -12.673 0.547 1.00 0.00 N ATOM 1425 CA THR A 115 7.127 -14.002 0.862 1.00 0.00 C ATOM 1426 C THR A 115 5.761 -14.241 0.228 1.00 0.00 C ATOM 1427 O THR A 115 5.392 -15.381 -0.056 1.00 0.00 O ATOM 1428 CB THR A 115 7.018 -14.221 2.383 1.00 0.00 C ATOM 1429 OG1 THR A 115 6.153 -13.239 2.960 1.00 0.00 O ATOM 1430 CG2 THR A 115 8.388 -14.148 3.041 1.00 0.00 C ATOM 0 H THR A 115 7.454 -11.970 1.262 1.00 0.00 H new ATOM 0 HA THR A 115 7.842 -14.714 0.448 1.00 0.00 H new ATOM 0 HB THR A 115 6.603 -15.214 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.273 -13.636 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.285 -14.306 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 115 9.035 -14.919 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.827 -13.167 2.859 1.00 0.00 H new ATOM 1438 N ASN A 116 5.010 -13.164 0.011 1.00 0.00 N ATOM 1439 CA ASN A 116 3.681 -13.270 -0.583 1.00 0.00 C ATOM 1440 C ASN A 116 3.452 -12.149 -1.590 1.00 0.00 C ATOM 1441 O ASN A 116 3.898 -11.020 -1.389 1.00 0.00 O ATOM 1442 CB ASN A 116 2.600 -13.222 0.502 1.00 0.00 C ATOM 1443 CG ASN A 116 1.239 -13.611 -0.035 1.00 0.00 C ATOM 1444 OD1 ASN A 116 0.741 -13.009 -0.984 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.628 -14.621 0.574 1.00 0.00 N ATOM 0 H ASN A 116 5.298 -12.212 0.237 1.00 0.00 H new ATOM 0 HA ASN A 116 3.618 -14.227 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.874 -13.893 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.551 -12.217 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.292 -14.926 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.079 -15.092 1.358 1.00 0.00 H new ATOM 1452 N HIS A 117 2.757 -12.470 -2.677 1.00 0.00 N ATOM 1453 CA HIS A 117 2.476 -11.487 -3.715 1.00 0.00 C ATOM 1454 C HIS A 117 1.003 -11.516 -4.110 1.00 0.00 C ATOM 1455 O HIS A 117 0.374 -10.470 -4.267 1.00 0.00 O ATOM 1456 CB HIS A 117 3.348 -11.752 -4.942 1.00 0.00 C ATOM 1457 CG HIS A 117 4.784 -11.997 -4.607 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.223 -13.142 -3.977 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.884 -11.235 -4.808 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.530 -13.073 -3.805 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.956 -11.927 -4.302 1.00 0.00 N ATOM 0 H HIS A 117 2.380 -13.400 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 117 2.707 -10.499 -3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.955 -12.616 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.280 -10.899 -5.618 1.00 0.00 H new ATOM 0 HD1 HIS A 117 4.631 -13.921 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.913 -10.263 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.146 -13.826 -3.337 1.00 0.00 H new ATOM 1470 N THR A 118 0.461 -12.719 -4.269 1.00 0.00 N ATOM 1471 CA THR A 118 -0.938 -12.880 -4.645 1.00 0.00 C ATOM 1472 C THR A 118 -1.849 -12.168 -3.652 1.00 0.00 C ATOM 1473 O THR A 118 -2.784 -11.469 -4.042 1.00 0.00 O ATOM 1474 CB THR A 118 -1.336 -14.366 -4.720 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.480 -15.056 -5.639 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.783 -14.515 -5.163 1.00 0.00 C ATOM 0 H THR A 118 0.969 -13.595 -4.144 1.00 0.00 H new ATOM 0 HA THR A 118 -1.057 -12.436 -5.633 1.00 0.00 H new ATOM 0 HB THR A 118 -1.228 -14.799 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.738 -16.001 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.042 -15.573 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.436 -14.012 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.910 -14.067 -6.149 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.563 -12.344 -2.366 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.344 -11.714 -1.312 1.00 0.00 C ATOM 1486 C GLN A 119 -2.302 -10.196 -1.450 1.00 0.00 C ATOM 1487 O GLN A 119 -3.306 -9.515 -1.246 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.814 -12.133 0.061 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.558 -11.499 1.222 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.032 -11.848 1.233 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.405 -13.018 1.327 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.883 -10.832 1.135 1.00 0.00 N ATOM 0 H GLN A 119 -0.792 -12.921 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.379 -12.042 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.877 -13.218 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.759 -11.869 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.105 -11.823 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.446 -10.416 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.531 -9.878 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.888 -11.007 1.136 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.131 -9.674 -1.800 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.952 -8.238 -1.971 1.00 0.00 C ATOM 1503 C VAL A 120 -1.849 -7.701 -3.082 1.00 0.00 C ATOM 1504 O VAL A 120 -2.497 -6.666 -2.925 1.00 0.00 O ATOM 1505 CB VAL A 120 0.516 -7.888 -2.289 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.671 -6.395 -2.538 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.434 -8.344 -1.164 1.00 0.00 C ATOM 0 H VAL A 120 -0.290 -10.226 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.230 -7.769 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 120 0.803 -8.417 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.714 -6.170 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.048 -6.100 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.362 -5.844 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.465 -8.087 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.147 -7.848 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.349 -9.424 -1.040 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.878 -8.410 -4.207 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.682 -8.017 -5.344 1.00 0.00 C ATOM 1519 C GLN A 121 -4.170 -8.032 -5.003 1.00 0.00 C ATOM 1520 O GLN A 121 -4.899 -7.091 -5.321 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.399 -8.963 -6.506 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.187 -8.627 -7.746 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.899 -9.566 -8.901 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -3.115 -10.775 -8.802 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -2.408 -9.014 -10.004 1.00 0.00 N ATOM 0 H GLN A 121 -1.345 -9.268 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.418 -6.997 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.335 -8.934 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.630 -9.983 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.251 -8.660 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.959 -7.605 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -2.245 -8.008 -10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.194 -9.596 -10.814 1.00 0.00 H new ATOM 1534 N SER A 122 -4.615 -9.106 -4.359 1.00 0.00 N ATOM 1535 CA SER A 122 -6.016 -9.247 -3.978 1.00 0.00 C ATOM 1536 C SER A 122 -6.441 -8.136 -3.024 1.00 0.00 C ATOM 1537 O SER A 122 -7.548 -7.606 -3.128 1.00 0.00 O ATOM 1538 CB SER A 122 -6.257 -10.612 -3.329 1.00 0.00 C ATOM 1539 OG SER A 122 -5.471 -10.769 -2.161 1.00 0.00 O ATOM 0 H SER A 122 -4.025 -9.893 -4.090 1.00 0.00 H new ATOM 0 HA SER A 122 -6.618 -9.171 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.312 -10.717 -3.077 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.019 -11.403 -4.040 1.00 0.00 H new ATOM 0 HG SER A 122 -4.696 -10.171 -2.206 1.00 0.00 H new ATOM 1545 N THR A 123 -5.555 -7.786 -2.096 1.00 0.00 N ATOM 1546 CA THR A 123 -5.839 -6.736 -1.124 1.00 0.00 C ATOM 1547 C THR A 123 -6.252 -5.445 -1.821 1.00 0.00 C ATOM 1548 O THR A 123 -7.196 -4.775 -1.401 1.00 0.00 O ATOM 1549 CB THR A 123 -4.619 -6.456 -0.224 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.244 -7.648 0.476 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.925 -5.352 0.778 1.00 0.00 C ATOM 0 H THR A 123 -4.635 -8.214 -1.997 1.00 0.00 H new ATOM 0 HA THR A 123 -6.661 -7.091 -0.503 1.00 0.00 H new ATOM 0 HB THR A 123 -3.795 -6.131 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.865 -8.293 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.049 -5.173 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.183 -4.437 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.762 -5.654 1.407 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.542 -5.105 -2.893 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.838 -3.897 -3.654 1.00 0.00 C ATOM 1561 C LEU A 124 -7.260 -3.939 -4.206 1.00 0.00 C ATOM 1562 O LEU A 124 -7.956 -2.927 -4.228 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.838 -3.730 -4.802 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.378 -3.545 -4.378 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.485 -3.394 -5.600 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.235 -2.341 -3.459 1.00 0.00 C ATOM 0 H LEU A 124 -4.758 -5.649 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.751 -3.044 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.903 -4.605 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.137 -2.869 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.064 -4.433 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.451 -3.263 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.563 -4.287 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.800 -2.523 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.191 -2.227 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.567 -1.443 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.845 -2.489 -2.568 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.679 -5.119 -4.653 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.017 -5.296 -5.209 1.00 0.00 C ATOM 1580 C ILE A 125 -10.091 -4.916 -4.193 1.00 0.00 C ATOM 1581 O ILE A 125 -11.034 -4.192 -4.514 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.247 -6.752 -5.660 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.179 -7.174 -6.674 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.642 -6.913 -6.252 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.149 -6.318 -7.921 1.00 0.00 C ATOM 0 H ILE A 125 -7.112 -5.967 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.090 -4.637 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.168 -7.401 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.201 -7.136 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.353 -8.211 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.787 -7.947 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.388 -6.653 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.750 -6.254 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.368 -6.678 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.114 -6.375 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.944 -5.283 -7.647 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.942 -5.412 -2.969 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.899 -5.129 -1.905 1.00 0.00 C ATOM 1599 C ALA A 126 -10.944 -3.638 -1.587 1.00 0.00 C ATOM 1600 O ALA A 126 -12.020 -3.060 -1.427 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.550 -5.926 -0.657 1.00 0.00 C ATOM 0 H ALA A 126 -9.167 -6.013 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.888 -5.429 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.272 -5.705 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.577 -6.991 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.550 -5.653 -0.319 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.770 -3.024 -1.491 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.670 -1.601 -1.186 1.00 0.00 C ATOM 1609 C LEU A 127 -10.288 -0.754 -2.295 1.00 0.00 C ATOM 1610 O LEU A 127 -10.945 0.252 -2.028 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.207 -1.205 -0.979 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.981 0.247 -0.543 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.745 0.547 0.738 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.498 0.520 -0.354 1.00 0.00 C ATOM 0 H LEU A 127 -8.872 -3.490 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.225 -1.415 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.771 -1.865 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.665 -1.377 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.356 0.904 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.572 1.582 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.811 0.391 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.401 -0.117 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.355 1.555 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.100 -0.146 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.973 0.347 -1.294 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.068 -1.166 -3.542 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.598 -0.442 -4.693 1.00 0.00 C ATOM 1628 C ALA A 128 -12.114 -0.305 -4.609 1.00 0.00 C ATOM 1629 O ALA A 128 -12.656 0.791 -4.753 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.201 -1.145 -5.983 1.00 0.00 C ATOM 0 H ALA A 128 -9.527 -1.997 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.170 0.561 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.602 -0.596 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.114 -1.185 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.602 -2.159 -5.983 1.00 0.00 H new ATOM 1636 N SER A 129 -12.793 -1.422 -4.372 1.00 0.00 N ATOM 1637 CA SER A 129 -14.247 -1.426 -4.264 1.00 0.00 C ATOM 1638 C SER A 129 -14.700 -0.638 -3.039 1.00 0.00 C ATOM 1639 O SER A 129 -15.695 0.084 -3.085 1.00 0.00 O ATOM 1640 CB SER A 129 -14.771 -2.861 -4.185 1.00 0.00 C ATOM 1641 OG SER A 129 -16.185 -2.883 -4.081 1.00 0.00 O ATOM 0 H SER A 129 -12.359 -2.337 -4.251 1.00 0.00 H new ATOM 0 HA SER A 129 -14.655 -0.948 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.460 -3.414 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.332 -3.365 -3.324 1.00 0.00 H new ATOM 0 HG SER A 129 -16.495 -3.811 -4.034 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.962 -0.792 -1.945 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.270 -0.115 -0.697 1.00 0.00 C ATOM 1649 C GLN A 130 -14.438 1.388 -0.894 1.00 0.00 C ATOM 1650 O GLN A 130 -15.412 1.975 -0.431 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.158 -0.380 0.303 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.440 0.157 1.683 1.00 0.00 C ATOM 1653 CD GLN A 130 -12.368 -0.233 2.678 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -11.187 0.051 2.475 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.770 -0.885 3.760 1.00 0.00 N ATOM 0 H GLN A 130 -13.136 -1.389 -1.901 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.216 -0.506 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.990 -1.455 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.235 0.065 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -13.515 1.244 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.405 -0.216 2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.759 -1.100 3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.090 -1.172 4.464 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.480 2.005 -1.575 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.523 3.442 -1.819 1.00 0.00 C ATOM 1666 C ALA A 131 -14.856 3.863 -2.432 1.00 0.00 C ATOM 1667 O ALA A 131 -15.426 4.889 -2.056 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.367 3.855 -2.717 1.00 0.00 C ATOM 0 H ALA A 131 -12.665 1.534 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.426 3.951 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.409 4.930 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.423 3.603 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.440 3.329 -3.669 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.346 3.070 -3.378 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.600 3.350 -4.047 1.00 0.00 C ATOM 1676 C LYS A 132 -17.799 3.096 -3.132 1.00 0.00 C ATOM 1677 O LYS A 132 -18.739 3.890 -3.091 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.688 2.476 -5.292 1.00 0.00 C ATOM 1679 CG LYS A 132 -18.042 2.488 -5.956 1.00 0.00 C ATOM 1680 CD LYS A 132 -18.390 3.862 -6.510 1.00 0.00 C ATOM 1681 CE LYS A 132 -19.755 3.864 -7.179 1.00 0.00 C ATOM 1682 NZ LYS A 132 -19.819 2.906 -8.316 1.00 0.00 N ATOM 0 H LYS A 132 -14.883 2.219 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.627 4.404 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.939 2.809 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.436 1.450 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -18.057 1.756 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -18.802 2.184 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.378 4.594 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -17.631 4.168 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -20.519 3.607 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.982 4.868 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -20.666 3.101 -8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -18.970 3.012 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -19.866 1.934 -7.949 1.00 0.00 H new ATOM 1696 N THR A 133 -17.766 1.977 -2.413 1.00 0.00 N ATOM 1697 CA THR A 133 -18.856 1.610 -1.511 1.00 0.00 C ATOM 1698 C THR A 133 -19.048 2.640 -0.404 1.00 0.00 C ATOM 1699 O THR A 133 -20.166 3.085 -0.145 1.00 0.00 O ATOM 1700 CB THR A 133 -18.613 0.230 -0.870 1.00 0.00 C ATOM 1701 OG1 THR A 133 -17.419 0.260 -0.079 1.00 0.00 O ATOM 1702 CG2 THR A 133 -18.491 -0.849 -1.934 1.00 0.00 C ATOM 0 H THR A 133 -16.996 1.308 -2.437 1.00 0.00 H new ATOM 0 HA THR A 133 -19.759 1.574 -2.121 1.00 0.00 H new ATOM 0 HB THR A 133 -19.467 -0.003 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 133 -16.791 0.910 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 133 -18.320 -1.814 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.411 -0.891 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 133 -17.654 -0.617 -2.593 1.00 0.00 H new ATOM 1710 N LYS A 134 -17.953 3.010 0.256 1.00 0.00 N ATOM 1711 CA LYS A 134 -18.008 3.982 1.343 1.00 0.00 C ATOM 1712 C LYS A 134 -18.569 5.314 0.856 1.00 0.00 C ATOM 1713 O LYS A 134 -18.312 5.671 -0.312 1.00 0.00 O ATOM 1714 CB LYS A 134 -16.613 4.192 1.940 1.00 0.00 C ATOM 1715 CG LYS A 134 -15.917 2.903 2.352 1.00 0.00 C ATOM 1716 CD LYS A 134 -16.741 2.103 3.347 1.00 0.00 C ATOM 1717 CE LYS A 134 -16.027 0.824 3.756 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.857 -0.008 4.671 1.00 0.00 N ATOM 1719 OXT LYS A 134 -19.261 5.987 1.648 1.00 0.00 O ATOM 0 H LYS A 134 -17.019 2.652 0.057 1.00 0.00 H new ATOM 0 HA LYS A 134 -18.671 3.589 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.991 4.712 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -16.695 4.843 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.727 2.295 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -14.948 3.139 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.938 2.710 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.708 1.857 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -15.779 0.246 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.086 1.074 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -16.334 -0.870 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -17.073 0.533 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -17.744 -0.269 4.194 1.00 0.00 H new TER 1733 LYS A 134