USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 70 HIS : no HD1:sc= -1.8 K(o=-2.7,f=-1.3) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.892 K(o=-2.7,f=-1.3) USER MOD Set 2.1: A 74 MET CE :methyl -121:sc= -0.0454 (180deg=-1.93) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.238 K(o=0.19,f=-0.63) USER MOD Set 3.1: A 35 ASN : amide:sc= 0.82 K(o=2,f=-5.9) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -130:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 11 ASN : amide:sc= 1.07 K(o=2.3,f=-5.4!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 152:sc= 1.23 (180deg=-0.107) USER MOD Set 5.1: A 1 SER N :NH3+ -174:sc= -0.0536 (180deg=-0.0536) USER MOD Set 5.2: A 86 MET CE :methyl 146:sc= -1.89! (180deg=-2.21!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : A 5 MET CE :methyl -178:sc= -0.0577 (180deg=-0.0607) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.231) USER MOD Single : A 7 ASN : amide:sc=-0.00302 X(o=-0.003,f=-0.19) USER MOD Single : A 9 SER OG : rot 21:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= 0.945 (180deg=0.34) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -165:sc= -0.069 (180deg=-0.719) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0595 X(o=-0.059,f=-0.26) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 14:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= 1.2 (180deg=-0.94) USER MOD Single : A 45 ASN : amide:sc= 1.17 K(o=1.2,f=-1.4) USER MOD Single : A 48 THR OG1 : rot -60:sc= 0.605 USER MOD Single : A 53 MET CE :methyl -122:sc= 0 (180deg=-0.0257) USER MOD Single : A 56 SER OG : rot 82:sc= 1.27 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.21) USER MOD Single : A 60 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.5!) USER MOD Single : A 61 MET CE :methyl 174:sc= -0.255 (180deg=-0.288) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0.29 K(o=0.29,f=-3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0.046) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.337) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-6.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 89 GLN : amide:sc=-0.00396 K(o=-0.004,f=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.0293 USER MOD Single : A 104 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 116 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 119 LYS NZ :NH3+ 164:sc= -0.0483 (180deg=-0.067) USER MOD Single : A 123 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.29) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.366 -7.244 1.916 1.00 0.00 N ATOM 2 CA SER A 1 12.501 -8.694 1.838 1.00 0.00 C ATOM 3 C SER A 1 11.355 -9.321 2.604 1.00 0.00 C ATOM 4 O SER A 1 11.197 -8.959 3.764 1.00 0.00 O ATOM 5 CB SER A 1 13.838 -9.108 2.451 1.00 0.00 C ATOM 6 OG SER A 1 14.876 -8.938 1.502 1.00 0.00 O ATOM 0 H1 SER A 1 13.084 -6.795 1.312 1.00 0.00 H new ATOM 0 H2 SER A 1 11.418 -6.966 1.591 1.00 0.00 H new ATOM 0 H3 SER A 1 12.499 -6.935 2.900 1.00 0.00 H new ATOM 0 HA SER A 1 12.473 -9.028 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.043 -8.509 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.794 -10.149 2.773 1.00 0.00 H new ATOM 0 HG SER A 1 15.731 -9.203 1.901 1.00 0.00 H new ATOM 12 N GLN A 2 10.536 -10.159 1.953 1.00 0.00 N ATOM 13 CA GLN A 2 9.629 -11.182 2.505 1.00 0.00 C ATOM 14 C GLN A 2 9.211 -10.915 3.960 1.00 0.00 C ATOM 15 O GLN A 2 8.215 -10.238 4.199 1.00 0.00 O ATOM 16 CB GLN A 2 10.243 -12.576 2.302 1.00 0.00 C ATOM 17 CG GLN A 2 10.383 -13.016 0.834 1.00 0.00 C ATOM 18 CD GLN A 2 11.460 -14.089 0.661 1.00 0.00 C ATOM 19 OE1 GLN A 2 11.199 -15.210 0.235 1.00 0.00 O ATOM 20 NE2 GLN A 2 12.702 -13.806 1.004 1.00 0.00 N ATOM 0 H GLN A 2 10.485 -10.138 0.934 1.00 0.00 H new ATOM 0 HA GLN A 2 8.692 -11.132 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.229 -12.594 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.629 -13.307 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.427 -13.400 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.629 -12.151 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.934 -12.879 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.430 -14.515 0.914 1.00 0.00 H new ATOM 29 N GLU A 3 10.026 -11.391 4.901 1.00 0.00 N ATOM 30 CA GLU A 3 9.970 -11.232 6.348 1.00 0.00 C ATOM 31 C GLU A 3 9.651 -9.789 6.765 1.00 0.00 C ATOM 32 O GLU A 3 8.591 -9.511 7.328 1.00 0.00 O ATOM 33 CB GLU A 3 11.348 -11.687 6.846 1.00 0.00 C ATOM 34 CG GLU A 3 11.474 -11.970 8.345 1.00 0.00 C ATOM 35 CD GLU A 3 12.952 -12.239 8.635 1.00 0.00 C ATOM 36 OE1 GLU A 3 13.435 -13.370 8.386 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.691 -11.262 8.888 1.00 0.00 O ATOM 0 H GLU A 3 10.829 -11.960 4.634 1.00 0.00 H new ATOM 0 HA GLU A 3 9.165 -11.822 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.625 -12.591 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.076 -10.921 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.116 -11.121 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.865 -12.829 8.626 1.00 0.00 H new ATOM 44 N VAL A 4 10.549 -8.849 6.463 1.00 0.00 N ATOM 45 CA VAL A 4 10.352 -7.427 6.707 1.00 0.00 C ATOM 46 C VAL A 4 9.071 -6.983 5.995 1.00 0.00 C ATOM 47 O VAL A 4 8.258 -6.274 6.572 1.00 0.00 O ATOM 48 CB VAL A 4 11.558 -6.586 6.220 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.495 -5.149 6.775 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.945 -7.144 6.556 1.00 0.00 C ATOM 0 H VAL A 4 11.449 -9.064 6.034 1.00 0.00 H new ATOM 0 HA VAL A 4 10.264 -7.264 7.781 1.00 0.00 H new ATOM 0 HB VAL A 4 11.454 -6.616 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.354 -4.582 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.577 -4.668 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.509 -5.179 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.711 -6.473 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.051 -7.227 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.060 -8.129 6.103 1.00 0.00 H new ATOM 60 N MET A 5 8.867 -7.380 4.739 1.00 0.00 N ATOM 61 CA MET A 5 7.737 -6.949 3.916 1.00 0.00 C ATOM 62 C MET A 5 6.414 -7.288 4.614 1.00 0.00 C ATOM 63 O MET A 5 5.517 -6.447 4.617 1.00 0.00 O ATOM 64 CB MET A 5 7.846 -7.644 2.534 1.00 0.00 C ATOM 65 CG MET A 5 7.547 -6.812 1.288 1.00 0.00 C ATOM 66 SD MET A 5 5.826 -6.311 1.068 1.00 0.00 S ATOM 67 CE MET A 5 6.055 -4.579 1.490 1.00 0.00 C ATOM 0 H MET A 5 9.495 -8.023 4.256 1.00 0.00 H new ATOM 0 HA MET A 5 7.759 -5.868 3.774 1.00 0.00 H new ATOM 0 HB2 MET A 5 8.857 -8.039 2.437 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.169 -8.498 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.165 -5.915 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.854 -7.383 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.094 -4.066 1.456 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.472 -4.501 2.494 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.738 -4.118 0.777 1.00 0.00 H new ATOM 77 N LYS A 6 6.305 -8.457 5.265 1.00 0.00 N ATOM 78 CA LYS A 6 5.157 -8.796 6.101 1.00 0.00 C ATOM 79 C LYS A 6 4.969 -7.735 7.169 1.00 0.00 C ATOM 80 O LYS A 6 3.892 -7.154 7.237 1.00 0.00 O ATOM 81 CB LYS A 6 5.282 -10.197 6.738 1.00 0.00 C ATOM 82 CG LYS A 6 4.257 -11.148 6.115 1.00 0.00 C ATOM 83 CD LYS A 6 3.965 -12.401 6.952 1.00 0.00 C ATOM 84 CE LYS A 6 2.969 -13.291 6.199 1.00 0.00 C ATOM 85 NZ LYS A 6 3.569 -13.895 4.992 1.00 0.00 N ATOM 0 H LYS A 6 7.014 -9.189 5.222 1.00 0.00 H new ATOM 0 HA LYS A 6 4.278 -8.825 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.289 -10.585 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.123 -10.132 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.325 -10.606 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.616 -11.457 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.888 -12.949 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.556 -12.118 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.615 -14.081 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.098 -12.700 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.966 -14.673 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.650 -13.174 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.514 -14.264 5.221 1.00 0.00 H new ATOM 99 N ASN A 7 6.009 -7.463 7.959 1.00 0.00 N ATOM 100 CA ASN A 7 6.058 -6.439 9.008 1.00 0.00 C ATOM 101 C ASN A 7 5.525 -5.105 8.469 1.00 0.00 C ATOM 102 O ASN A 7 4.646 -4.500 9.083 1.00 0.00 O ATOM 103 CB ASN A 7 7.519 -6.289 9.486 1.00 0.00 C ATOM 104 CG ASN A 7 7.687 -6.034 10.976 1.00 0.00 C ATOM 105 OD1 ASN A 7 7.069 -6.694 11.809 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.570 -5.117 11.344 1.00 0.00 N ATOM 0 H ASN A 7 6.887 -7.977 7.882 1.00 0.00 H new ATOM 0 HA ASN A 7 5.431 -6.737 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.065 -7.195 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.982 -5.468 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.747 -4.948 12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.072 -4.580 10.637 1.00 0.00 H new ATOM 113 N LEU A 8 6.009 -4.664 7.296 1.00 0.00 N ATOM 114 CA LEU A 8 5.568 -3.438 6.627 1.00 0.00 C ATOM 115 C LEU A 8 4.049 -3.466 6.459 1.00 0.00 C ATOM 116 O LEU A 8 3.361 -2.585 6.976 1.00 0.00 O ATOM 117 CB LEU A 8 6.293 -3.186 5.279 1.00 0.00 C ATOM 118 CG LEU A 8 7.692 -2.545 5.399 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.791 -3.489 5.790 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.171 -1.843 4.127 1.00 0.00 C ATOM 0 H LEU A 8 6.733 -5.163 6.779 1.00 0.00 H new ATOM 0 HA LEU A 8 5.842 -2.595 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.389 -4.136 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.667 -2.542 4.662 1.00 0.00 H new ATOM 0 HG LEU A 8 7.521 -1.824 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.734 -2.945 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.565 -3.928 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.873 -4.280 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.161 -1.420 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.218 -2.563 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.475 -1.045 3.868 1.00 0.00 H new ATOM 132 N SER A 9 3.512 -4.487 5.792 1.00 0.00 N ATOM 133 CA SER A 9 2.068 -4.613 5.583 1.00 0.00 C ATOM 134 C SER A 9 1.274 -4.803 6.887 1.00 0.00 C ATOM 135 O SER A 9 0.079 -4.493 6.938 1.00 0.00 O ATOM 136 CB SER A 9 1.795 -5.753 4.601 1.00 0.00 C ATOM 137 OG SER A 9 2.580 -6.901 4.862 1.00 0.00 O ATOM 0 H SER A 9 4.059 -5.245 5.384 1.00 0.00 H new ATOM 0 HA SER A 9 1.717 -3.670 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.740 -6.022 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.991 -5.407 3.586 1.00 0.00 H new ATOM 0 HG SER A 9 2.901 -6.874 5.788 1.00 0.00 H new ATOM 143 N LEU A 10 1.931 -5.289 7.943 1.00 0.00 N ATOM 144 CA LEU A 10 1.362 -5.594 9.237 1.00 0.00 C ATOM 145 C LEU A 10 1.005 -4.267 9.851 1.00 0.00 C ATOM 146 O LEU A 10 -0.158 -3.956 10.092 1.00 0.00 O ATOM 147 CB LEU A 10 2.386 -6.354 10.118 1.00 0.00 C ATOM 148 CG LEU A 10 1.778 -7.588 10.778 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.813 -8.776 9.807 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.533 -7.923 12.063 1.00 0.00 C ATOM 0 H LEU A 10 2.931 -5.488 7.905 1.00 0.00 H new ATOM 0 HA LEU A 10 0.487 -6.239 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.237 -6.654 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.768 -5.684 10.888 1.00 0.00 H new ATOM 0 HG LEU A 10 0.739 -7.378 11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.377 -9.652 10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.242 -8.531 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.846 -8.990 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.090 -8.805 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.579 -8.122 11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.469 -7.081 12.753 1.00 0.00 H new ATOM 162 N ASN A 11 2.045 -3.467 10.068 1.00 0.00 N ATOM 163 CA ASN A 11 1.919 -2.260 10.841 1.00 0.00 C ATOM 164 C ASN A 11 1.263 -1.155 10.025 1.00 0.00 C ATOM 165 O ASN A 11 0.695 -0.231 10.603 1.00 0.00 O ATOM 166 CB ASN A 11 3.274 -1.861 11.412 1.00 0.00 C ATOM 167 CG ASN A 11 3.437 -2.454 12.804 1.00 0.00 C ATOM 168 OD1 ASN A 11 2.973 -1.879 13.788 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.044 -3.618 12.926 1.00 0.00 N ATOM 0 H ASN A 11 2.984 -3.644 9.712 1.00 0.00 H new ATOM 0 HA ASN A 11 1.257 -2.441 11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.073 -2.214 10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.355 -0.775 11.457 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.133 -4.053 13.844 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.424 -4.084 12.102 1.00 0.00 H new ATOM 176 N PHE A 12 1.287 -1.267 8.695 1.00 0.00 N ATOM 177 CA PHE A 12 0.445 -0.502 7.793 1.00 0.00 C ATOM 178 C PHE A 12 -1.020 -0.743 8.149 1.00 0.00 C ATOM 179 O PHE A 12 -1.702 0.181 8.581 1.00 0.00 O ATOM 180 CB PHE A 12 0.765 -0.921 6.357 1.00 0.00 C ATOM 181 CG PHE A 12 -0.161 -0.378 5.290 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.059 0.961 4.873 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.093 -1.235 4.672 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.882 1.443 3.844 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.896 -0.762 3.622 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.784 0.576 3.211 1.00 0.00 C ATOM 0 H PHE A 12 1.912 -1.911 8.210 1.00 0.00 H new ATOM 0 HA PHE A 12 0.635 0.567 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.782 -0.604 6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.750 -2.010 6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.654 1.620 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.190 -2.257 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.821 2.478 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.596 -1.423 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.398 0.940 2.400 1.00 0.00 H new ATOM 196 N GLY A 13 -1.486 -1.990 8.038 1.00 0.00 N ATOM 197 CA GLY A 13 -2.876 -2.361 8.264 1.00 0.00 C ATOM 198 C GLY A 13 -3.302 -2.334 9.735 1.00 0.00 C ATOM 199 O GLY A 13 -4.379 -2.835 10.044 1.00 0.00 O ATOM 0 H GLY A 13 -0.893 -2.780 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.517 -1.684 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.042 -3.363 7.868 1.00 0.00 H new ATOM 203 N LYS A 14 -2.520 -1.763 10.658 1.00 0.00 N ATOM 204 CA LYS A 14 -2.921 -1.605 12.058 1.00 0.00 C ATOM 205 C LYS A 14 -4.226 -0.827 12.159 1.00 0.00 C ATOM 206 O LYS A 14 -5.176 -1.317 12.773 1.00 0.00 O ATOM 207 CB LYS A 14 -1.815 -0.890 12.843 1.00 0.00 C ATOM 208 CG LYS A 14 -0.686 -1.826 13.271 1.00 0.00 C ATOM 209 CD LYS A 14 -1.070 -2.581 14.536 1.00 0.00 C ATOM 210 CE LYS A 14 0.098 -3.267 15.250 1.00 0.00 C ATOM 211 NZ LYS A 14 1.088 -2.301 15.776 1.00 0.00 N ATOM 0 H LYS A 14 -1.590 -1.397 10.454 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.078 -2.594 12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.402 -0.088 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.248 -0.424 13.728 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.469 -2.533 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.224 -1.252 13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.544 -1.885 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.816 -3.334 14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.287 -3.871 16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.593 -3.949 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.564 -2.709 16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.793 -2.092 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.604 -1.423 16.051 1.00 0.00 H new ATOM 225 N ALA A 15 -4.288 0.342 11.521 1.00 0.00 N ATOM 226 CA ALA A 15 -5.462 1.205 11.482 1.00 0.00 C ATOM 227 C ALA A 15 -6.520 0.712 10.478 1.00 0.00 C ATOM 228 O ALA A 15 -7.370 1.498 10.067 1.00 0.00 O ATOM 229 CB ALA A 15 -5.009 2.645 11.185 1.00 0.00 C ATOM 0 H ALA A 15 -3.497 0.723 11.002 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.953 1.177 12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.879 3.301 11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.329 2.981 11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.497 2.674 10.223 1.00 0.00 H new ATOM 235 N LEU A 16 -6.485 -0.552 10.028 1.00 0.00 N ATOM 236 CA LEU A 16 -7.437 -1.062 9.040 1.00 0.00 C ATOM 237 C LEU A 16 -8.860 -0.875 9.544 1.00 0.00 C ATOM 238 O LEU A 16 -9.677 -0.308 8.825 1.00 0.00 O ATOM 239 CB LEU A 16 -7.176 -2.547 8.741 1.00 0.00 C ATOM 240 CG LEU A 16 -8.164 -3.150 7.721 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.677 -2.910 6.293 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.336 -4.645 7.980 1.00 0.00 C ATOM 0 H LEU A 16 -5.800 -1.241 10.338 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.306 -0.499 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.160 -2.661 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.235 -3.113 9.671 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.130 -2.658 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.387 -3.343 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.594 -1.838 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.702 -3.377 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.035 -5.062 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.372 -5.144 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.724 -4.798 8.987 1.00 0.00 H new ATOM 254 N ASP A 17 -9.173 -1.358 10.747 1.00 0.00 N ATOM 255 CA ASP A 17 -10.553 -1.341 11.230 1.00 0.00 C ATOM 256 C ASP A 17 -11.031 0.075 11.528 1.00 0.00 C ATOM 257 O ASP A 17 -12.196 0.396 11.300 1.00 0.00 O ATOM 258 CB ASP A 17 -10.707 -2.199 12.483 1.00 0.00 C ATOM 259 CG ASP A 17 -12.033 -2.936 12.398 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.119 -3.880 11.578 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.007 -2.583 13.086 1.00 0.00 O ATOM 0 H ASP A 17 -8.499 -1.761 11.397 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.169 -1.755 10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.883 -2.908 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.676 -1.575 13.376 1.00 0.00 H new ATOM 266 N GLU A 18 -10.108 0.943 11.950 1.00 0.00 N ATOM 267 CA GLU A 18 -10.343 2.379 12.047 1.00 0.00 C ATOM 268 C GLU A 18 -10.832 2.875 10.696 1.00 0.00 C ATOM 269 O GLU A 18 -11.960 3.342 10.591 1.00 0.00 O ATOM 270 CB GLU A 18 -9.101 3.151 12.482 1.00 0.00 C ATOM 271 CG GLU A 18 -8.748 2.869 13.934 1.00 0.00 C ATOM 272 CD GLU A 18 -9.613 3.645 14.921 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.396 4.863 15.101 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.546 3.056 15.514 1.00 0.00 O ATOM 0 H GLU A 18 -9.170 0.663 12.236 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.094 2.554 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.261 2.880 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.271 4.219 12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.855 1.802 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.701 3.120 14.102 1.00 0.00 H new ATOM 281 N CYS A 19 -10.008 2.713 9.661 1.00 0.00 N ATOM 282 CA CYS A 19 -10.296 3.130 8.299 1.00 0.00 C ATOM 283 C CYS A 19 -11.552 2.469 7.720 1.00 0.00 C ATOM 284 O CYS A 19 -12.248 3.091 6.920 1.00 0.00 O ATOM 285 CB CYS A 19 -9.066 2.834 7.441 1.00 0.00 C ATOM 286 SG CYS A 19 -7.738 4.019 7.710 1.00 0.00 S ATOM 0 H CYS A 19 -9.093 2.273 9.756 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.511 4.199 8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.704 1.830 7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.350 2.844 6.389 1.00 0.00 H new ATOM 291 N LYS A 20 -11.878 1.235 8.123 1.00 0.00 N ATOM 292 CA LYS A 20 -13.115 0.576 7.777 1.00 0.00 C ATOM 293 C LYS A 20 -14.266 1.380 8.349 1.00 0.00 C ATOM 294 O LYS A 20 -15.148 1.778 7.595 1.00 0.00 O ATOM 295 CB LYS A 20 -13.104 -0.866 8.305 1.00 0.00 C ATOM 296 CG LYS A 20 -12.277 -1.821 7.436 1.00 0.00 C ATOM 297 CD LYS A 20 -11.968 -3.213 8.008 1.00 0.00 C ATOM 298 CE LYS A 20 -13.185 -4.095 8.284 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.918 -3.741 9.515 1.00 0.00 N ATOM 0 H LYS A 20 -11.268 0.666 8.710 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.233 0.522 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.706 -0.872 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.129 -1.233 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.802 -1.955 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.329 -1.333 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.313 -3.736 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.412 -3.090 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.867 -4.030 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.860 -5.133 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.444 -4.571 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.243 -3.434 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.584 -2.969 9.312 1.00 0.00 H new ATOM 313 N LYS A 21 -14.294 1.625 9.658 1.00 0.00 N ATOM 314 CA LYS A 21 -15.474 2.236 10.266 1.00 0.00 C ATOM 315 C LYS A 21 -15.541 3.736 9.977 1.00 0.00 C ATOM 316 O LYS A 21 -16.635 4.281 9.907 1.00 0.00 O ATOM 317 CB LYS A 21 -15.483 1.900 11.752 1.00 0.00 C ATOM 318 CG LYS A 21 -15.932 0.438 11.926 1.00 0.00 C ATOM 319 CD LYS A 21 -15.211 -0.280 13.058 1.00 0.00 C ATOM 320 CE LYS A 21 -15.708 0.151 14.441 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.262 -0.992 15.191 1.00 0.00 N ATOM 0 H LYS A 21 -13.533 1.416 10.304 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.381 1.826 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.490 2.043 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.158 2.569 12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.005 0.414 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.760 -0.101 10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.348 -1.356 12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.141 -0.085 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.886 0.594 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.471 0.921 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.590 -0.669 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.061 -1.398 14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.525 -1.716 15.315 1.00 0.00 H new ATOM 335 N GLU A 22 -14.398 4.384 9.743 1.00 0.00 N ATOM 336 CA GLU A 22 -14.270 5.786 9.366 1.00 0.00 C ATOM 337 C GLU A 22 -15.059 6.126 8.107 1.00 0.00 C ATOM 338 O GLU A 22 -15.525 7.258 7.995 1.00 0.00 O ATOM 339 CB GLU A 22 -12.785 6.090 9.102 1.00 0.00 C ATOM 340 CG GLU A 22 -11.996 6.455 10.366 1.00 0.00 C ATOM 341 CD GLU A 22 -11.836 7.963 10.556 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.845 8.699 10.417 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.714 8.380 10.926 1.00 0.00 O ATOM 0 H GLU A 22 -13.493 3.918 9.816 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.668 6.386 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.323 5.221 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.713 6.912 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.501 6.036 11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.010 5.994 10.318 1.00 0.00 H new ATOM 350 N MET A 23 -15.143 5.204 7.141 1.00 0.00 N ATOM 351 CA MET A 23 -15.663 5.485 5.814 1.00 0.00 C ATOM 352 C MET A 23 -16.706 4.450 5.378 1.00 0.00 C ATOM 353 O MET A 23 -17.220 4.541 4.265 1.00 0.00 O ATOM 354 CB MET A 23 -14.480 5.535 4.835 1.00 0.00 C ATOM 355 CG MET A 23 -13.312 6.418 5.308 1.00 0.00 C ATOM 356 SD MET A 23 -12.362 7.244 4.015 1.00 0.00 S ATOM 357 CE MET A 23 -11.647 5.790 3.231 1.00 0.00 C ATOM 0 H MET A 23 -14.847 4.236 7.268 1.00 0.00 H new ATOM 0 HA MET A 23 -16.177 6.446 5.823 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.113 4.522 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.834 5.904 3.872 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.708 7.179 5.981 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.630 5.800 5.892 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.825 6.093 2.583 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.273 5.110 3.997 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.409 5.285 2.638 1.00 0.00 H new ATOM 367 N THR A 24 -17.034 3.478 6.237 1.00 0.00 N ATOM 368 CA THR A 24 -17.626 2.194 5.872 1.00 0.00 C ATOM 369 C THR A 24 -16.912 1.593 4.660 1.00 0.00 C ATOM 370 O THR A 24 -17.354 1.719 3.519 1.00 0.00 O ATOM 371 CB THR A 24 -19.151 2.298 5.748 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.675 2.576 7.031 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.807 1.007 5.258 1.00 0.00 C ATOM 0 H THR A 24 -16.887 3.572 7.242 1.00 0.00 H new ATOM 0 HA THR A 24 -17.468 1.477 6.678 1.00 0.00 H new ATOM 0 HB THR A 24 -19.364 3.079 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.651 2.649 6.977 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.886 1.149 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.415 0.750 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.589 0.200 5.957 1.00 0.00 H new ATOM 381 N LEU A 25 -15.806 0.905 4.934 1.00 0.00 N ATOM 382 CA LEU A 25 -15.176 -0.007 3.997 1.00 0.00 C ATOM 383 C LEU A 25 -15.441 -1.402 4.528 1.00 0.00 C ATOM 384 O LEU A 25 -15.351 -1.624 5.739 1.00 0.00 O ATOM 385 CB LEU A 25 -13.672 0.258 3.833 1.00 0.00 C ATOM 386 CG LEU A 25 -13.328 1.745 3.639 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.817 1.897 3.487 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.014 2.345 2.407 1.00 0.00 C ATOM 0 H LEU A 25 -15.319 0.970 5.828 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.592 0.127 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.147 -0.116 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.303 -0.307 2.977 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.688 2.282 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.569 2.949 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.322 1.522 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.479 1.328 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.740 3.396 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.696 1.806 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.095 2.260 2.515 1.00 0.00 H new ATOM 400 N THR A 26 -15.805 -2.309 3.632 1.00 0.00 N ATOM 401 CA THR A 26 -16.277 -3.641 3.981 1.00 0.00 C ATOM 402 C THR A 26 -15.234 -4.451 4.741 1.00 0.00 C ATOM 403 O THR A 26 -14.035 -4.227 4.588 1.00 0.00 O ATOM 404 CB THR A 26 -16.657 -4.365 2.686 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.589 -4.342 1.754 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.853 -3.676 2.049 1.00 0.00 C ATOM 0 H THR A 26 -15.780 -2.137 2.627 1.00 0.00 H new ATOM 0 HA THR A 26 -17.136 -3.540 4.644 1.00 0.00 H new ATOM 0 HB THR A 26 -16.893 -5.399 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.857 -4.812 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.122 -4.192 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.697 -3.701 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.599 -2.640 1.824 1.00 0.00 H new ATOM 414 N ASP A 27 -15.680 -5.503 5.424 1.00 0.00 N ATOM 415 CA ASP A 27 -14.804 -6.548 5.926 1.00 0.00 C ATOM 416 C ASP A 27 -14.137 -7.319 4.790 1.00 0.00 C ATOM 417 O ASP A 27 -13.055 -7.855 4.984 1.00 0.00 O ATOM 418 CB ASP A 27 -15.574 -7.478 6.872 1.00 0.00 C ATOM 419 CG ASP A 27 -15.989 -8.838 6.308 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.731 -8.870 5.300 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.699 -9.856 6.980 1.00 0.00 O ATOM 0 H ASP A 27 -16.665 -5.651 5.644 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.002 -6.077 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.960 -7.649 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.473 -6.958 7.204 1.00 0.00 H new ATOM 426 N ALA A 28 -14.731 -7.321 3.595 1.00 0.00 N ATOM 427 CA ALA A 28 -14.274 -8.118 2.470 1.00 0.00 C ATOM 428 C ALA A 28 -12.873 -7.736 1.969 1.00 0.00 C ATOM 429 O ALA A 28 -12.278 -8.530 1.240 1.00 0.00 O ATOM 430 CB ALA A 28 -15.301 -7.989 1.340 1.00 0.00 C ATOM 0 H ALA A 28 -15.555 -6.758 3.385 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.189 -9.151 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.977 -8.581 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.269 -8.351 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.389 -6.943 1.046 1.00 0.00 H new ATOM 436 N ILE A 29 -12.351 -6.559 2.342 1.00 0.00 N ATOM 437 CA ILE A 29 -10.975 -6.153 2.052 1.00 0.00 C ATOM 438 C ILE A 29 -9.964 -6.918 2.899 1.00 0.00 C ATOM 439 O ILE A 29 -8.801 -6.965 2.505 1.00 0.00 O ATOM 440 CB ILE A 29 -10.737 -4.641 2.271 1.00 0.00 C ATOM 441 CG1 ILE A 29 -10.894 -4.226 3.754 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.563 -3.809 1.285 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.160 -2.736 3.979 1.00 0.00 C ATOM 0 H ILE A 29 -12.881 -5.857 2.859 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.830 -6.387 0.997 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.694 -4.422 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.713 -4.797 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.988 -4.504 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.378 -2.749 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.277 -4.064 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.623 -4.021 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.256 -2.541 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.331 -2.154 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.083 -2.451 3.474 1.00 0.00 H new ATOM 455 N ASN A 30 -10.365 -7.497 4.042 1.00 0.00 N ATOM 456 CA ASN A 30 -9.439 -8.282 4.850 1.00 0.00 C ATOM 457 C ASN A 30 -8.885 -9.386 3.985 1.00 0.00 C ATOM 458 O ASN A 30 -7.686 -9.611 4.011 1.00 0.00 O ATOM 459 CB ASN A 30 -10.078 -8.916 6.099 1.00 0.00 C ATOM 460 CG ASN A 30 -9.609 -8.260 7.383 1.00 0.00 C ATOM 461 OD1 ASN A 30 -8.409 -8.062 7.586 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.537 -7.965 8.279 1.00 0.00 N ATOM 0 H ASN A 30 -11.311 -7.434 4.417 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.669 -7.599 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.163 -8.837 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.837 -9.979 6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.269 -7.559 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.520 -8.144 8.073 1.00 0.00 H new ATOM 469 N GLU A 31 -9.738 -10.040 3.199 1.00 0.00 N ATOM 470 CA GLU A 31 -9.329 -11.034 2.231 1.00 0.00 C ATOM 471 C GLU A 31 -8.385 -10.434 1.205 1.00 0.00 C ATOM 472 O GLU A 31 -7.321 -10.995 0.996 1.00 0.00 O ATOM 473 CB GLU A 31 -10.559 -11.611 1.535 1.00 0.00 C ATOM 474 CG GLU A 31 -11.066 -12.856 2.251 1.00 0.00 C ATOM 475 CD GLU A 31 -11.351 -12.638 3.731 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.259 -11.832 4.023 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.770 -13.377 4.558 1.00 0.00 O ATOM 0 H GLU A 31 -10.746 -9.886 3.224 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.801 -11.831 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.348 -10.860 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.313 -11.857 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.977 -13.200 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.328 -13.651 2.146 1.00 0.00 H new ATOM 484 N ASP A 32 -8.724 -9.314 0.571 1.00 0.00 N ATOM 485 CA ASP A 32 -7.884 -8.748 -0.487 1.00 0.00 C ATOM 486 C ASP A 32 -6.523 -8.277 0.041 1.00 0.00 C ATOM 487 O ASP A 32 -5.621 -8.026 -0.758 1.00 0.00 O ATOM 488 CB ASP A 32 -8.558 -7.521 -1.115 1.00 0.00 C ATOM 489 CG ASP A 32 -9.807 -7.781 -1.953 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.679 -8.415 -3.027 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.895 -7.305 -1.568 1.00 0.00 O ATOM 0 H ASP A 32 -9.571 -8.781 0.769 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.745 -9.547 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.823 -6.831 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.826 -7.014 -1.743 1.00 0.00 H new ATOM 496 N PHE A 33 -6.359 -8.101 1.355 1.00 0.00 N ATOM 497 CA PHE A 33 -5.104 -7.777 2.025 1.00 0.00 C ATOM 498 C PHE A 33 -4.390 -9.048 2.485 1.00 0.00 C ATOM 499 O PHE A 33 -3.198 -9.204 2.216 1.00 0.00 O ATOM 500 CB PHE A 33 -5.401 -6.858 3.222 1.00 0.00 C ATOM 501 CG PHE A 33 -5.605 -5.393 2.879 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.628 -4.682 2.156 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.752 -4.718 3.334 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.805 -3.315 1.881 1.00 0.00 C ATOM 505 CE2 PHE A 33 -6.941 -3.358 3.040 1.00 0.00 C ATOM 506 CZ PHE A 33 -5.962 -2.652 2.325 1.00 0.00 C ATOM 0 H PHE A 33 -7.137 -8.185 2.009 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.444 -7.263 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.295 -7.224 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.578 -6.937 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.739 -5.189 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.492 -5.249 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.051 -2.774 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.840 -2.855 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.097 -1.601 2.116 1.00 0.00 H new ATOM 516 N TYR A 34 -5.098 -9.956 3.152 1.00 0.00 N ATOM 517 CA TYR A 34 -4.643 -11.256 3.631 1.00 0.00 C ATOM 518 C TYR A 34 -4.098 -12.083 2.467 1.00 0.00 C ATOM 519 O TYR A 34 -2.990 -12.622 2.529 1.00 0.00 O ATOM 520 CB TYR A 34 -5.836 -11.964 4.296 1.00 0.00 C ATOM 521 CG TYR A 34 -5.705 -13.459 4.488 1.00 0.00 C ATOM 522 CD1 TYR A 34 -4.565 -14.008 5.101 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.725 -14.303 4.010 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.407 -15.402 5.165 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.576 -15.697 4.074 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.402 -16.250 4.623 1.00 0.00 C ATOM 527 OH TYR A 34 -5.236 -17.596 4.612 1.00 0.00 O ATOM 0 H TYR A 34 -6.076 -9.789 3.388 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.838 -11.135 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.005 -11.507 5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.726 -11.773 3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.812 -13.359 5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.625 -13.876 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.528 -15.826 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.358 -16.343 3.704 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.020 -18.019 4.203 1.00 0.00 H new ATOM 537 N ASN A 35 -4.894 -12.168 1.404 1.00 0.00 N ATOM 538 CA ASN A 35 -4.666 -12.928 0.190 1.00 0.00 C ATOM 539 C ASN A 35 -3.998 -12.083 -0.894 1.00 0.00 C ATOM 540 O ASN A 35 -3.797 -12.582 -1.997 1.00 0.00 O ATOM 541 CB ASN A 35 -5.985 -13.518 -0.343 1.00 0.00 C ATOM 542 CG ASN A 35 -6.551 -14.616 0.548 1.00 0.00 C ATOM 543 OD1 ASN A 35 -5.803 -15.470 1.020 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.857 -14.636 0.770 1.00 0.00 N ATOM 0 H ASN A 35 -5.782 -11.667 1.372 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.989 -13.743 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.721 -12.720 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.819 -13.919 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.265 -15.373 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.454 -13.915 0.366 1.00 0.00 H new ATOM 551 N PHE A 36 -3.590 -10.841 -0.607 1.00 0.00 N ATOM 552 CA PHE A 36 -2.839 -10.003 -1.545 1.00 0.00 C ATOM 553 C PHE A 36 -1.639 -10.778 -2.119 1.00 0.00 C ATOM 554 O PHE A 36 -1.306 -10.629 -3.292 1.00 0.00 O ATOM 555 CB PHE A 36 -2.394 -8.731 -0.799 1.00 0.00 C ATOM 556 CG PHE A 36 -1.661 -7.656 -1.580 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.321 -7.856 -1.940 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.260 -6.405 -1.835 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.427 -6.804 -2.479 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.504 -5.352 -2.393 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.138 -5.543 -2.664 1.00 0.00 C ATOM 0 H PHE A 36 -3.774 -10.388 0.288 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.465 -9.722 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.282 -8.276 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.752 -9.038 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.135 -8.825 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.303 -6.252 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.457 -6.971 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.973 -4.404 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.468 -4.720 -3.012 1.00 0.00 H new ATOM 571 N TRP A 37 -1.030 -11.653 -1.314 1.00 0.00 N ATOM 572 CA TRP A 37 0.186 -12.406 -1.610 1.00 0.00 C ATOM 573 C TRP A 37 -0.049 -13.815 -2.167 1.00 0.00 C ATOM 574 O TRP A 37 0.853 -14.654 -2.136 1.00 0.00 O ATOM 575 CB TRP A 37 1.031 -12.413 -0.334 1.00 0.00 C ATOM 576 CG TRP A 37 1.385 -11.032 0.112 1.00 0.00 C ATOM 577 CD1 TRP A 37 0.960 -10.407 1.232 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.142 -10.042 -0.635 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.470 -9.125 1.267 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.211 -8.846 0.138 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.719 -10.020 -1.922 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.871 -7.702 -0.329 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.357 -8.876 -2.408 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.437 -7.726 -1.615 1.00 0.00 C ATOM 0 H TRP A 37 -1.396 -11.865 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 37 0.712 -11.911 -2.426 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.484 -12.921 0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.944 -12.983 -0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.320 -10.844 1.984 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.318 -8.467 2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.667 -10.903 -2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.943 -6.818 0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.789 -8.879 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.939 -6.848 -1.995 1.00 0.00 H new ATOM 595 N LYS A 38 -1.246 -14.113 -2.672 1.00 0.00 N ATOM 596 CA LYS A 38 -1.527 -15.307 -3.441 1.00 0.00 C ATOM 597 C LYS A 38 -0.726 -15.288 -4.739 1.00 0.00 C ATOM 598 O LYS A 38 -0.299 -14.234 -5.216 1.00 0.00 O ATOM 599 CB LYS A 38 -3.013 -15.280 -3.786 1.00 0.00 C ATOM 600 CG LYS A 38 -3.943 -16.202 -3.017 1.00 0.00 C ATOM 601 CD LYS A 38 -3.995 -16.043 -1.504 1.00 0.00 C ATOM 602 CE LYS A 38 -3.116 -16.992 -0.683 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.818 -17.387 0.557 1.00 0.00 N ATOM 0 H LYS A 38 -2.061 -13.511 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.262 -16.198 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.368 -14.259 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.113 -15.514 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.952 -16.062 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.656 -17.230 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.712 -15.019 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.029 -16.173 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.874 -17.877 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.172 -16.505 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.188 -17.246 1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.671 -16.804 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.089 -18.389 0.498 1.00 0.00 H new ATOM 617 N GLU A 39 -0.658 -16.438 -5.388 1.00 0.00 N ATOM 618 CA GLU A 39 0.101 -16.666 -6.617 1.00 0.00 C ATOM 619 C GLU A 39 -0.682 -16.382 -7.906 1.00 0.00 C ATOM 620 O GLU A 39 -0.363 -16.928 -8.968 1.00 0.00 O ATOM 621 CB GLU A 39 0.741 -18.070 -6.605 1.00 0.00 C ATOM 622 CG GLU A 39 -0.263 -19.238 -6.687 1.00 0.00 C ATOM 623 CD GLU A 39 0.326 -20.461 -7.397 1.00 0.00 C ATOM 624 OE1 GLU A 39 1.264 -21.096 -6.856 1.00 0.00 O ATOM 625 OE2 GLU A 39 -0.138 -20.782 -8.519 1.00 0.00 O ATOM 0 H GLU A 39 -1.147 -17.273 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 39 0.901 -15.925 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.434 -18.145 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.329 -18.178 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.573 -19.519 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.157 -18.909 -7.216 1.00 0.00 H new ATOM 632 N GLY A 40 -1.699 -15.533 -7.834 1.00 0.00 N ATOM 633 CA GLY A 40 -2.538 -15.172 -8.973 1.00 0.00 C ATOM 634 C GLY A 40 -3.842 -14.503 -8.552 1.00 0.00 C ATOM 635 O GLY A 40 -4.794 -14.469 -9.334 1.00 0.00 O ATOM 0 H GLY A 40 -1.970 -15.067 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.984 -14.500 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.764 -16.068 -9.552 1.00 0.00 H new ATOM 639 N TYR A 41 -3.929 -14.006 -7.315 1.00 0.00 N ATOM 640 CA TYR A 41 -5.141 -13.364 -6.831 1.00 0.00 C ATOM 641 C TYR A 41 -5.288 -12.001 -7.470 1.00 0.00 C ATOM 642 O TYR A 41 -4.391 -11.159 -7.382 1.00 0.00 O ATOM 643 CB TYR A 41 -5.090 -13.275 -5.315 1.00 0.00 C ATOM 644 CG TYR A 41 -6.238 -12.597 -4.598 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.573 -11.245 -4.816 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.951 -13.347 -3.650 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.635 -10.670 -4.094 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.009 -12.779 -2.930 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.365 -11.437 -3.159 1.00 0.00 C ATOM 650 OH TYR A 41 -9.464 -10.936 -2.535 1.00 0.00 O ATOM 0 H TYR A 41 -3.170 -14.039 -6.634 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.016 -13.953 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.007 -14.289 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.173 -12.753 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.019 -10.655 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.680 -14.377 -3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.894 -9.634 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.549 -13.368 -2.203 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.755 -10.118 -2.991 1.00 0.00 H new ATOM 660 N GLU A 42 -6.470 -11.742 -8.020 1.00 0.00 N ATOM 661 CA GLU A 42 -6.799 -10.448 -8.573 1.00 0.00 C ATOM 662 C GLU A 42 -7.574 -9.597 -7.588 1.00 0.00 C ATOM 663 O GLU A 42 -8.548 -10.050 -6.985 1.00 0.00 O ATOM 664 CB GLU A 42 -7.643 -10.640 -9.828 1.00 0.00 C ATOM 665 CG GLU A 42 -6.842 -10.962 -11.085 1.00 0.00 C ATOM 666 CD GLU A 42 -7.690 -11.803 -12.040 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.847 -11.392 -12.278 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.254 -12.855 -12.566 1.00 0.00 O ATOM 0 H GLU A 42 -7.221 -12.428 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.866 -9.936 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.357 -11.445 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.222 -9.733 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.532 -10.039 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.933 -11.502 -10.820 1.00 0.00 H new ATOM 675 N ILE A 43 -7.153 -8.338 -7.503 1.00 0.00 N ATOM 676 CA ILE A 43 -7.654 -7.332 -6.583 1.00 0.00 C ATOM 677 C ILE A 43 -8.334 -6.286 -7.458 1.00 0.00 C ATOM 678 O ILE A 43 -7.657 -5.598 -8.218 1.00 0.00 O ATOM 679 CB ILE A 43 -6.521 -6.705 -5.731 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.616 -7.743 -5.024 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.177 -5.778 -4.693 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.351 -7.141 -4.405 1.00 0.00 C ATOM 0 H ILE A 43 -6.415 -7.978 -8.107 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.344 -7.769 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.859 -6.159 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.191 -8.240 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.328 -8.510 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.405 -5.319 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.741 -4.999 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.850 -6.358 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.769 -7.929 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.753 -6.669 -5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.630 -6.395 -3.661 1.00 0.00 H new ATOM 694 N LYS A 44 -9.664 -6.197 -7.399 1.00 0.00 N ATOM 695 CA LYS A 44 -10.441 -5.176 -8.104 1.00 0.00 C ATOM 696 C LYS A 44 -11.469 -4.502 -7.188 1.00 0.00 C ATOM 697 O LYS A 44 -12.276 -3.694 -7.652 1.00 0.00 O ATOM 698 CB LYS A 44 -11.080 -5.771 -9.373 1.00 0.00 C ATOM 699 CG LYS A 44 -10.035 -6.086 -10.452 1.00 0.00 C ATOM 700 CD LYS A 44 -9.504 -7.523 -10.401 1.00 0.00 C ATOM 701 CE LYS A 44 -10.055 -8.323 -11.586 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.656 -9.615 -11.209 1.00 0.00 N ATOM 0 H LYS A 44 -10.239 -6.840 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.760 -4.385 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.619 -6.682 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.813 -5.070 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.474 -5.906 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.198 -5.396 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.414 -7.519 -10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.797 -7.996 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.805 -7.721 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.248 -8.503 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.227 -10.375 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.485 -9.796 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.680 -9.587 -11.387 1.00 0.00 H new ATOM 716 N ASN A 45 -11.468 -4.848 -5.900 1.00 0.00 N ATOM 717 CA ASN A 45 -12.271 -4.235 -4.853 1.00 0.00 C ATOM 718 C ASN A 45 -11.884 -2.769 -4.719 1.00 0.00 C ATOM 719 O ASN A 45 -10.789 -2.460 -4.256 1.00 0.00 O ATOM 720 CB ASN A 45 -12.017 -4.993 -3.542 1.00 0.00 C ATOM 721 CG ASN A 45 -13.093 -4.770 -2.498 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.983 -3.941 -2.668 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.072 -5.553 -1.436 1.00 0.00 N ATOM 0 H ASN A 45 -10.877 -5.600 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.332 -4.288 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.945 -6.059 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.055 -4.684 -3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.807 -5.478 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.321 -6.233 -1.319 1.00 0.00 H new ATOM 730 N ARG A 46 -12.756 -1.838 -5.108 1.00 0.00 N ATOM 731 CA ARG A 46 -12.459 -0.418 -4.990 1.00 0.00 C ATOM 732 C ARG A 46 -12.231 -0.024 -3.533 1.00 0.00 C ATOM 733 O ARG A 46 -11.460 0.904 -3.254 1.00 0.00 O ATOM 734 CB ARG A 46 -13.625 0.378 -5.598 1.00 0.00 C ATOM 735 CG ARG A 46 -13.195 1.778 -6.021 1.00 0.00 C ATOM 736 CD ARG A 46 -14.340 2.597 -6.625 1.00 0.00 C ATOM 737 NE ARG A 46 -14.839 2.001 -7.869 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.995 1.356 -8.041 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.918 1.282 -7.086 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.213 0.757 -9.200 1.00 0.00 N ATOM 0 H ARG A 46 -13.672 -2.046 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.540 -0.192 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.019 -0.158 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.434 0.450 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.794 2.306 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.388 1.700 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.155 2.669 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.996 3.613 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.239 2.089 -8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.755 1.728 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.789 0.779 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.507 0.795 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.088 0.257 -9.359 1.00 0.00 H new ATOM 754 N GLU A 47 -12.837 -0.775 -2.613 1.00 0.00 N ATOM 755 CA GLU A 47 -12.704 -0.548 -1.184 1.00 0.00 C ATOM 756 C GLU A 47 -11.247 -0.679 -0.750 1.00 0.00 C ATOM 757 O GLU A 47 -10.844 0.013 0.185 1.00 0.00 O ATOM 758 CB GLU A 47 -13.562 -1.557 -0.402 1.00 0.00 C ATOM 759 CG GLU A 47 -15.064 -1.466 -0.686 1.00 0.00 C ATOM 760 CD GLU A 47 -15.710 -0.303 0.057 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.421 0.863 -0.283 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.547 -0.594 0.941 1.00 0.00 O ATOM 0 H GLU A 47 -13.439 -1.565 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.048 0.464 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.221 -2.565 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.397 -1.406 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.225 -1.347 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.547 -2.398 -0.392 1.00 0.00 H new ATOM 769 N THR A 48 -10.439 -1.528 -1.401 1.00 0.00 N ATOM 770 CA THR A 48 -9.070 -1.726 -0.954 1.00 0.00 C ATOM 771 C THR A 48 -8.271 -0.471 -1.272 1.00 0.00 C ATOM 772 O THR A 48 -7.508 0.006 -0.440 1.00 0.00 O ATOM 773 CB THR A 48 -8.409 -2.972 -1.530 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.190 -2.866 -2.916 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.171 -4.247 -1.228 1.00 0.00 C ATOM 0 H THR A 48 -10.709 -2.073 -2.220 1.00 0.00 H new ATOM 0 HA THR A 48 -9.091 -1.898 0.122 1.00 0.00 H new ATOM 0 HB THR A 48 -7.444 -3.036 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.046 -2.732 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.647 -5.096 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.242 -4.382 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.173 -4.181 -1.652 1.00 0.00 H new ATOM 783 N GLY A 49 -8.505 0.114 -2.448 1.00 0.00 N ATOM 784 CA GLY A 49 -7.863 1.342 -2.866 1.00 0.00 C ATOM 785 C GLY A 49 -8.125 2.478 -1.882 1.00 0.00 C ATOM 786 O GLY A 49 -7.195 3.193 -1.509 1.00 0.00 O ATOM 0 H GLY A 49 -9.154 -0.263 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.789 1.179 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.227 1.625 -3.854 1.00 0.00 H new ATOM 790 N CYS A 50 -9.380 2.646 -1.446 1.00 0.00 N ATOM 791 CA CYS A 50 -9.706 3.663 -0.453 1.00 0.00 C ATOM 792 C CYS A 50 -9.237 3.295 0.960 1.00 0.00 C ATOM 793 O CYS A 50 -8.895 4.191 1.731 1.00 0.00 O ATOM 794 CB CYS A 50 -11.195 4.030 -0.510 1.00 0.00 C ATOM 795 SG CYS A 50 -11.394 5.693 -1.206 1.00 0.00 S ATOM 0 H CYS A 50 -10.176 2.094 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.141 4.558 -0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.734 3.304 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.627 3.991 0.490 1.00 0.00 H new ATOM 800 N ALA A 51 -9.144 2.008 1.306 1.00 0.00 N ATOM 801 CA ALA A 51 -8.534 1.570 2.557 1.00 0.00 C ATOM 802 C ALA A 51 -7.058 1.950 2.573 1.00 0.00 C ATOM 803 O ALA A 51 -6.594 2.573 3.523 1.00 0.00 O ATOM 804 CB ALA A 51 -8.712 0.063 2.748 1.00 0.00 C ATOM 0 H ALA A 51 -9.490 1.244 0.725 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.033 2.071 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.250 -0.242 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.775 -0.178 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.238 -0.467 1.922 1.00 0.00 H new ATOM 810 N ILE A 52 -6.328 1.618 1.507 1.00 0.00 N ATOM 811 CA ILE A 52 -4.923 1.956 1.329 1.00 0.00 C ATOM 812 C ILE A 52 -4.748 3.471 1.441 1.00 0.00 C ATOM 813 O ILE A 52 -3.802 3.911 2.095 1.00 0.00 O ATOM 814 CB ILE A 52 -4.391 1.354 0.002 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.297 -0.184 0.126 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.013 1.907 -0.387 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.019 -0.940 -1.176 1.00 0.00 C ATOM 0 H ILE A 52 -6.713 1.091 0.723 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.316 1.513 2.118 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.096 1.636 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.509 -0.425 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.232 -0.554 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.689 1.452 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.077 2.988 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.293 1.675 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.973 -2.010 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.817 -0.740 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.068 -0.609 -1.593 1.00 0.00 H new ATOM 829 N MET A 53 -5.646 4.271 0.858 1.00 0.00 N ATOM 830 CA MET A 53 -5.612 5.721 1.000 1.00 0.00 C ATOM 831 C MET A 53 -5.792 6.127 2.468 1.00 0.00 C ATOM 832 O MET A 53 -4.954 6.837 3.011 1.00 0.00 O ATOM 833 CB MET A 53 -6.659 6.363 0.082 1.00 0.00 C ATOM 834 CG MET A 53 -6.483 7.883 0.033 1.00 0.00 C ATOM 835 SD MET A 53 -7.740 8.838 0.915 1.00 0.00 S ATOM 836 CE MET A 53 -9.080 8.620 -0.278 1.00 0.00 C ATOM 0 H MET A 53 -6.412 3.929 0.278 1.00 0.00 H new ATOM 0 HA MET A 53 -4.635 6.091 0.690 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.570 5.950 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.660 6.120 0.439 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.506 8.132 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.478 8.198 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.424 9.596 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.719 8.043 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.906 8.090 0.196 1.00 0.00 H new ATOM 846 N CYS A 54 -6.827 5.647 3.160 1.00 0.00 N ATOM 847 CA CYS A 54 -7.002 5.984 4.571 1.00 0.00 C ATOM 848 C CYS A 54 -5.761 5.598 5.388 1.00 0.00 C ATOM 849 O CYS A 54 -5.266 6.406 6.166 1.00 0.00 O ATOM 850 CB CYS A 54 -8.280 5.352 5.120 1.00 0.00 C ATOM 851 SG CYS A 54 -8.556 5.677 6.879 1.00 0.00 S ATOM 0 H CYS A 54 -7.545 5.034 2.773 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.113 7.065 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.132 5.726 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.239 4.274 4.961 1.00 0.00 H new ATOM 856 N LEU A 55 -5.207 4.402 5.186 1.00 0.00 N ATOM 857 CA LEU A 55 -4.014 3.944 5.894 1.00 0.00 C ATOM 858 C LEU A 55 -2.808 4.838 5.579 1.00 0.00 C ATOM 859 O LEU A 55 -2.102 5.249 6.495 1.00 0.00 O ATOM 860 CB LEU A 55 -3.727 2.476 5.538 1.00 0.00 C ATOM 861 CG LEU A 55 -4.767 1.483 6.096 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.489 0.074 5.566 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.753 1.457 7.624 1.00 0.00 C ATOM 0 H LEU A 55 -5.576 3.721 4.523 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.196 4.012 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.689 2.376 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.741 2.206 5.917 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.750 1.817 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.230 -0.618 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.547 0.077 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.493 -0.241 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.498 0.747 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.766 1.155 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.985 2.451 8.007 1.00 0.00 H new ATOM 875 N SER A 56 -2.587 5.179 4.306 1.00 0.00 N ATOM 876 CA SER A 56 -1.588 6.151 3.857 1.00 0.00 C ATOM 877 C SER A 56 -1.708 7.450 4.651 1.00 0.00 C ATOM 878 O SER A 56 -0.744 7.874 5.290 1.00 0.00 O ATOM 879 CB SER A 56 -1.750 6.434 2.357 1.00 0.00 C ATOM 880 OG SER A 56 -1.514 5.260 1.598 1.00 0.00 O ATOM 0 H SER A 56 -3.116 4.772 3.535 1.00 0.00 H new ATOM 0 HA SER A 56 -0.599 5.727 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.755 6.806 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.055 7.216 2.052 1.00 0.00 H new ATOM 0 HG SER A 56 -2.322 4.706 1.593 1.00 0.00 H new ATOM 886 N THR A 57 -2.892 8.058 4.653 1.00 0.00 N ATOM 887 CA THR A 57 -3.198 9.237 5.443 1.00 0.00 C ATOM 888 C THR A 57 -2.785 9.023 6.900 1.00 0.00 C ATOM 889 O THR A 57 -2.001 9.800 7.438 1.00 0.00 O ATOM 890 CB THR A 57 -4.697 9.534 5.310 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.958 10.065 4.023 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.140 10.480 6.425 1.00 0.00 C ATOM 0 H THR A 57 -3.679 7.734 4.091 1.00 0.00 H new ATOM 0 HA THR A 57 -2.635 10.096 5.078 1.00 0.00 H new ATOM 0 HB THR A 57 -5.274 8.615 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.916 10.254 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.205 10.687 6.325 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.950 10.016 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.581 11.413 6.354 1.00 0.00 H new ATOM 900 N LYS A 58 -3.307 7.971 7.530 1.00 0.00 N ATOM 901 CA LYS A 58 -3.146 7.675 8.945 1.00 0.00 C ATOM 902 C LYS A 58 -1.675 7.434 9.324 1.00 0.00 C ATOM 903 O LYS A 58 -1.354 7.383 10.509 1.00 0.00 O ATOM 904 CB LYS A 58 -3.996 6.453 9.258 1.00 0.00 C ATOM 905 CG LYS A 58 -5.513 6.717 9.162 1.00 0.00 C ATOM 906 CD LYS A 58 -6.113 6.806 10.561 1.00 0.00 C ATOM 907 CE LYS A 58 -7.612 7.098 10.644 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.058 8.383 10.069 1.00 0.00 N ATOM 0 H LYS A 58 -3.876 7.277 7.045 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.471 8.532 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.731 5.650 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.759 6.103 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.696 7.644 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.995 5.917 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.920 5.865 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.583 7.584 11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.146 6.293 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.909 7.070 11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.073 8.513 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.523 9.162 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.892 8.380 9.042 1.00 0.00 H new ATOM 922 N LEU A 59 -0.768 7.243 8.360 1.00 0.00 N ATOM 923 CA LEU A 59 0.674 7.075 8.580 1.00 0.00 C ATOM 924 C LEU A 59 1.434 8.368 8.241 1.00 0.00 C ATOM 925 O LEU A 59 2.664 8.363 8.208 1.00 0.00 O ATOM 926 CB LEU A 59 1.210 5.876 7.767 1.00 0.00 C ATOM 927 CG LEU A 59 0.567 4.533 8.191 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.644 3.499 7.071 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.236 3.924 9.432 1.00 0.00 C ATOM 0 H LEU A 59 -1.025 7.200 7.374 1.00 0.00 H new ATOM 0 HA LEU A 59 0.840 6.864 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.020 6.047 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.291 5.812 7.891 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.472 4.771 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.183 2.568 7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.116 3.873 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.688 3.316 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.746 2.984 9.685 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.290 3.739 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.148 4.616 10.269 1.00 0.00 H new ATOM 941 N ASN A 60 0.721 9.468 7.994 1.00 0.00 N ATOM 942 CA ASN A 60 1.133 10.713 7.355 1.00 0.00 C ATOM 943 C ASN A 60 1.975 10.472 6.105 1.00 0.00 C ATOM 944 O ASN A 60 3.039 11.061 5.929 1.00 0.00 O ATOM 945 CB ASN A 60 1.761 11.733 8.321 1.00 0.00 C ATOM 946 CG ASN A 60 1.790 13.106 7.644 1.00 0.00 C ATOM 947 OD1 ASN A 60 0.842 13.475 6.955 1.00 0.00 O ATOM 948 ND2 ASN A 60 2.840 13.888 7.818 1.00 0.00 N ATOM 0 H ASN A 60 -0.261 9.510 8.266 1.00 0.00 H new ATOM 0 HA ASN A 60 0.211 11.187 7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.185 11.781 9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.771 11.424 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.869 14.808 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.622 13.572 8.392 1.00 0.00 H new ATOM 955 N MET A 61 1.498 9.603 5.213 1.00 0.00 N ATOM 956 CA MET A 61 2.169 9.357 3.934 1.00 0.00 C ATOM 957 C MET A 61 1.589 10.237 2.828 1.00 0.00 C ATOM 958 O MET A 61 1.635 9.860 1.661 1.00 0.00 O ATOM 959 CB MET A 61 2.239 7.857 3.578 1.00 0.00 C ATOM 960 CG MET A 61 3.454 7.234 4.262 1.00 0.00 C ATOM 961 SD MET A 61 3.928 5.593 3.676 1.00 0.00 S ATOM 962 CE MET A 61 3.479 4.637 5.136 1.00 0.00 C ATOM 0 H MET A 61 0.648 9.056 5.352 1.00 0.00 H new ATOM 0 HA MET A 61 3.211 9.657 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.328 7.352 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.310 7.730 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.304 7.905 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.254 7.174 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.601 3.574 4.927 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.124 4.919 5.968 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.440 4.839 5.398 1.00 0.00 H new ATOM 972 N LEU A 62 1.083 11.426 3.157 1.00 0.00 N ATOM 973 CA LEU A 62 0.643 12.396 2.170 1.00 0.00 C ATOM 974 C LEU A 62 1.344 13.713 2.422 1.00 0.00 C ATOM 975 O LEU A 62 1.222 14.296 3.497 1.00 0.00 O ATOM 976 CB LEU A 62 -0.881 12.539 2.180 1.00 0.00 C ATOM 977 CG LEU A 62 -1.584 11.449 1.356 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.087 11.725 1.388 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.103 11.374 -0.100 1.00 0.00 C ATOM 0 H LEU A 62 0.969 11.739 4.121 1.00 0.00 H new ATOM 0 HA LEU A 62 0.911 12.050 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.239 12.499 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.153 13.518 1.786 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.341 10.486 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.609 10.963 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.439 11.702 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.286 12.707 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.642 10.583 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.290 12.327 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.035 11.159 -0.120 1.00 0.00 H new ATOM 991 N ASP A 63 2.091 14.141 1.410 1.00 0.00 N ATOM 992 CA ASP A 63 2.840 15.391 1.333 1.00 0.00 C ATOM 993 C ASP A 63 1.867 16.580 1.427 1.00 0.00 C ATOM 994 O ASP A 63 0.649 16.384 1.339 1.00 0.00 O ATOM 995 CB ASP A 63 3.557 15.407 -0.025 1.00 0.00 C ATOM 996 CG ASP A 63 5.071 15.584 -0.014 1.00 0.00 C ATOM 997 OD1 ASP A 63 5.737 15.091 0.910 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.602 16.133 -1.010 1.00 0.00 O ATOM 0 H ASP A 63 2.197 13.584 0.562 1.00 0.00 H new ATOM 0 HA ASP A 63 3.559 15.469 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.330 14.472 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.128 16.210 -0.624 1.00 0.00 H new ATOM 1003 N PRO A 64 2.339 17.830 1.539 1.00 0.00 N ATOM 1004 CA PRO A 64 1.478 18.976 1.805 1.00 0.00 C ATOM 1005 C PRO A 64 0.583 19.406 0.627 1.00 0.00 C ATOM 1006 O PRO A 64 -0.137 20.395 0.781 1.00 0.00 O ATOM 1007 CB PRO A 64 2.422 20.088 2.269 1.00 0.00 C ATOM 1008 CG PRO A 64 3.769 19.742 1.644 1.00 0.00 C ATOM 1009 CD PRO A 64 3.737 18.225 1.497 1.00 0.00 C ATOM 0 HA PRO A 64 0.740 18.717 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.073 21.066 1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.488 20.123 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.898 20.233 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.596 20.063 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.198 17.917 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.298 17.747 2.299 1.00 0.00 H new ATOM 1017 N GLU A 65 0.573 18.693 -0.503 1.00 0.00 N ATOM 1018 CA GLU A 65 -0.434 18.849 -1.566 1.00 0.00 C ATOM 1019 C GLU A 65 -1.311 17.599 -1.740 1.00 0.00 C ATOM 1020 O GLU A 65 -2.371 17.650 -2.372 1.00 0.00 O ATOM 1021 CB GLU A 65 0.247 19.142 -2.902 1.00 0.00 C ATOM 1022 CG GLU A 65 1.212 20.327 -2.831 1.00 0.00 C ATOM 1023 CD GLU A 65 1.619 20.847 -4.212 1.00 0.00 C ATOM 1024 OE1 GLU A 65 1.795 20.034 -5.153 1.00 0.00 O ATOM 1025 OE2 GLU A 65 1.737 22.087 -4.347 1.00 0.00 O ATOM 0 H GLU A 65 1.272 17.980 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.072 19.679 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.791 18.256 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.514 19.344 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.746 21.135 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.106 20.029 -2.283 1.00 0.00 H new ATOM 1032 N GLY A 66 -0.876 16.476 -1.179 1.00 0.00 N ATOM 1033 CA GLY A 66 -1.591 15.211 -1.198 1.00 0.00 C ATOM 1034 C GLY A 66 -1.107 14.252 -2.282 1.00 0.00 C ATOM 1035 O GLY A 66 -1.868 13.369 -2.674 1.00 0.00 O ATOM 0 H GLY A 66 0.014 16.423 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.487 14.730 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.653 15.406 -1.345 1.00 0.00 H new ATOM 1039 N ASN A 67 0.141 14.370 -2.747 1.00 0.00 N ATOM 1040 CA ASN A 67 0.750 13.430 -3.685 1.00 0.00 C ATOM 1041 C ASN A 67 2.000 12.903 -2.980 1.00 0.00 C ATOM 1042 O ASN A 67 2.999 13.619 -2.939 1.00 0.00 O ATOM 1043 CB ASN A 67 0.982 14.081 -5.065 1.00 0.00 C ATOM 1044 CG ASN A 67 -0.253 14.822 -5.570 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -1.235 14.209 -5.984 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -0.261 16.144 -5.511 1.00 0.00 N ATOM 0 H ASN A 67 0.762 15.132 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 67 0.105 12.586 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.819 14.776 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.261 13.312 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.087 16.663 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.558 16.644 -5.166 1.00 0.00 H new ATOM 1053 N LEU A 68 1.819 11.758 -2.302 1.00 0.00 N ATOM 1054 CA LEU A 68 2.655 10.901 -1.445 1.00 0.00 C ATOM 1055 C LEU A 68 3.849 11.553 -0.741 1.00 0.00 C ATOM 1056 O LEU A 68 4.739 12.140 -1.354 1.00 0.00 O ATOM 1057 CB LEU A 68 3.041 9.598 -2.168 1.00 0.00 C ATOM 1058 CG LEU A 68 3.203 8.387 -1.215 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.633 7.139 -1.895 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.627 8.078 -0.754 1.00 0.00 C ATOM 0 H LEU A 68 0.894 11.333 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 68 1.999 10.672 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.279 9.365 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.976 9.754 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 68 2.661 8.668 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.743 6.281 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.577 7.295 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.173 6.951 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.615 7.212 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.252 7.864 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.031 8.938 -0.219 1.00 0.00 H new ATOM 1072 N HIS A 69 3.877 11.423 0.589 1.00 0.00 N ATOM 1073 CA HIS A 69 5.005 11.873 1.390 1.00 0.00 C ATOM 1074 C HIS A 69 6.124 10.840 1.317 1.00 0.00 C ATOM 1075 O HIS A 69 6.266 9.996 2.202 1.00 0.00 O ATOM 1076 CB HIS A 69 4.609 12.197 2.839 1.00 0.00 C ATOM 1077 CG HIS A 69 5.523 13.200 3.501 1.00 0.00 C ATOM 1078 ND1 HIS A 69 6.897 13.178 3.478 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.145 14.359 4.126 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.346 14.263 4.122 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.314 14.992 4.582 1.00 0.00 N ATOM 0 H HIS A 69 3.121 11.005 1.132 1.00 0.00 H new ATOM 0 HA HIS A 69 5.367 12.813 0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.589 12.582 2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.609 11.276 3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.134 14.720 4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.388 14.516 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.369 15.838 5.150 1.00 0.00 H new ATOM 1089 N HIS A 70 6.945 10.918 0.279 1.00 0.00 N ATOM 1090 CA HIS A 70 8.132 10.099 0.074 1.00 0.00 C ATOM 1091 C HIS A 70 9.084 10.142 1.262 1.00 0.00 C ATOM 1092 O HIS A 70 9.721 9.141 1.592 1.00 0.00 O ATOM 1093 CB HIS A 70 8.812 10.590 -1.201 1.00 0.00 C ATOM 1094 CG HIS A 70 7.910 10.333 -2.380 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.306 11.270 -3.188 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.355 9.118 -2.675 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.423 10.617 -3.966 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.438 9.298 -3.698 1.00 0.00 N ATOM 0 H HIS A 70 6.795 11.585 -0.478 1.00 0.00 H new ATOM 0 HA HIS A 70 7.839 9.054 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.031 11.655 -1.122 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.764 10.078 -1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.591 8.180 -2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.790 11.087 -4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.884 8.575 -4.157 1.00 0.00 H new ATOM 1106 N GLY A 71 9.156 11.280 1.941 1.00 0.00 N ATOM 1107 CA GLY A 71 9.854 11.409 3.202 1.00 0.00 C ATOM 1108 C GLY A 71 9.325 10.431 4.255 1.00 0.00 C ATOM 1109 O GLY A 71 10.078 9.628 4.807 1.00 0.00 O ATOM 0 H GLY A 71 8.724 12.147 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.918 11.233 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.750 12.429 3.571 1.00 0.00 H new ATOM 1113 N ASN A 72 8.031 10.501 4.572 1.00 0.00 N ATOM 1114 CA ASN A 72 7.409 9.678 5.612 1.00 0.00 C ATOM 1115 C ASN A 72 7.316 8.205 5.183 1.00 0.00 C ATOM 1116 O ASN A 72 7.241 7.310 6.026 1.00 0.00 O ATOM 1117 CB ASN A 72 6.016 10.239 5.944 1.00 0.00 C ATOM 1118 CG ASN A 72 5.740 10.242 7.440 1.00 0.00 C ATOM 1119 OD1 ASN A 72 5.777 9.204 8.100 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.488 11.404 8.014 1.00 0.00 N ATOM 0 H ASN A 72 7.379 11.136 4.111 1.00 0.00 H new ATOM 0 HA ASN A 72 8.034 9.715 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.934 11.255 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.256 9.644 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.320 11.451 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.461 12.255 7.452 1.00 0.00 H new ATOM 1127 N ALA A 73 7.329 7.948 3.872 1.00 0.00 N ATOM 1128 CA ALA A 73 7.380 6.626 3.273 1.00 0.00 C ATOM 1129 C ALA A 73 8.744 5.974 3.525 1.00 0.00 C ATOM 1130 O ALA A 73 8.801 4.896 4.114 1.00 0.00 O ATOM 1131 CB ALA A 73 7.044 6.743 1.788 1.00 0.00 C ATOM 0 H ALA A 73 7.303 8.693 3.176 1.00 0.00 H new ATOM 0 HA ALA A 73 6.640 5.972 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.079 5.755 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.044 7.161 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.768 7.396 1.301 1.00 0.00 H new ATOM 1137 N MET A 74 9.850 6.636 3.161 1.00 0.00 N ATOM 1138 CA MET A 74 11.191 6.099 3.375 1.00 0.00 C ATOM 1139 C MET A 74 11.450 5.848 4.861 1.00 0.00 C ATOM 1140 O MET A 74 12.105 4.872 5.230 1.00 0.00 O ATOM 1141 CB MET A 74 12.243 7.058 2.800 1.00 0.00 C ATOM 1142 CG MET A 74 13.640 6.453 2.997 1.00 0.00 C ATOM 1143 SD MET A 74 14.874 6.817 1.728 1.00 0.00 S ATOM 1144 CE MET A 74 14.273 5.725 0.404 1.00 0.00 C ATOM 0 H MET A 74 9.836 7.552 2.713 1.00 0.00 H new ATOM 0 HA MET A 74 11.264 5.144 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.055 7.230 1.740 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.180 8.026 3.297 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.027 6.798 3.956 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.534 5.370 3.067 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.056 5.016 0.133 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.395 5.181 0.752 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.007 6.323 -0.468 1.00 0.00 H new ATOM 1154 N GLU A 75 10.909 6.712 5.718 1.00 0.00 N ATOM 1155 CA GLU A 75 10.971 6.531 7.157 1.00 0.00 C ATOM 1156 C GLU A 75 10.323 5.221 7.573 1.00 0.00 C ATOM 1157 O GLU A 75 10.896 4.516 8.396 1.00 0.00 O ATOM 1158 CB GLU A 75 10.245 7.684 7.846 1.00 0.00 C ATOM 1159 CG GLU A 75 11.118 8.927 7.871 1.00 0.00 C ATOM 1160 CD GLU A 75 12.224 8.782 8.905 1.00 0.00 C ATOM 1161 OE1 GLU A 75 11.914 8.788 10.114 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.414 8.762 8.522 1.00 0.00 O ATOM 0 H GLU A 75 10.416 7.557 5.428 1.00 0.00 H new ATOM 0 HA GLU A 75 12.020 6.511 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.313 7.898 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.981 7.398 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.553 9.092 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.509 9.801 8.102 1.00 0.00 H new ATOM 1169 N PHE A 76 9.160 4.881 7.010 1.00 0.00 N ATOM 1170 CA PHE A 76 8.470 3.634 7.304 1.00 0.00 C ATOM 1171 C PHE A 76 9.416 2.462 7.060 1.00 0.00 C ATOM 1172 O PHE A 76 9.563 1.603 7.924 1.00 0.00 O ATOM 1173 CB PHE A 76 7.200 3.512 6.449 1.00 0.00 C ATOM 1174 CG PHE A 76 6.206 2.489 6.961 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.420 2.765 8.094 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.076 1.249 6.312 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.484 1.821 8.557 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.176 0.291 6.798 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.364 0.582 7.905 1.00 0.00 C ATOM 0 H PHE A 76 8.673 5.470 6.335 1.00 0.00 H new ATOM 0 HA PHE A 76 8.166 3.623 8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.712 4.485 6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.485 3.248 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.535 3.706 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.671 1.034 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.861 2.048 9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.107 -0.675 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.647 -0.146 8.256 1.00 0.00 H new ATOM 1189 N ALA A 77 10.092 2.455 5.914 1.00 0.00 N ATOM 1190 CA ALA A 77 11.032 1.415 5.549 1.00 0.00 C ATOM 1191 C ALA A 77 12.190 1.329 6.557 1.00 0.00 C ATOM 1192 O ALA A 77 12.374 0.272 7.173 1.00 0.00 O ATOM 1193 CB ALA A 77 11.491 1.679 4.114 1.00 0.00 C ATOM 0 H ALA A 77 9.996 3.184 5.208 1.00 0.00 H new ATOM 0 HA ALA A 77 10.557 0.435 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.201 0.909 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.629 1.660 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.970 2.657 4.059 1.00 0.00 H new ATOM 1199 N LYS A 78 12.947 2.414 6.776 1.00 0.00 N ATOM 1200 CA LYS A 78 14.131 2.381 7.636 1.00 0.00 C ATOM 1201 C LYS A 78 13.752 2.163 9.108 1.00 0.00 C ATOM 1202 O LYS A 78 14.565 1.665 9.886 1.00 0.00 O ATOM 1203 CB LYS A 78 14.965 3.669 7.433 1.00 0.00 C ATOM 1204 CG LYS A 78 16.164 3.544 6.456 1.00 0.00 C ATOM 1205 CD LYS A 78 15.964 4.107 5.025 1.00 0.00 C ATOM 1206 CE LYS A 78 17.032 5.157 4.653 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.728 6.521 5.142 1.00 0.00 N ATOM 0 H LYS A 78 12.756 3.328 6.365 1.00 0.00 H new ATOM 0 HA LYS A 78 14.748 1.530 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.303 4.455 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.342 3.993 8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.020 4.050 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.425 2.489 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.998 3.288 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.974 4.557 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.994 4.842 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.137 5.185 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.614 7.053 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.121 7.009 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.236 6.460 6.056 1.00 0.00 H new ATOM 1221 N LYS A 79 12.521 2.476 9.509 1.00 0.00 N ATOM 1222 CA LYS A 79 11.932 2.100 10.791 1.00 0.00 C ATOM 1223 C LYS A 79 11.751 0.583 10.864 1.00 0.00 C ATOM 1224 O LYS A 79 12.123 -0.038 11.858 1.00 0.00 O ATOM 1225 CB LYS A 79 10.613 2.882 10.903 1.00 0.00 C ATOM 1226 CG LYS A 79 9.660 2.527 12.050 1.00 0.00 C ATOM 1227 CD LYS A 79 8.410 3.421 11.961 1.00 0.00 C ATOM 1228 CE LYS A 79 7.269 2.861 12.814 1.00 0.00 C ATOM 1229 NZ LYS A 79 7.370 3.239 14.234 1.00 0.00 N ATOM 0 H LYS A 79 11.883 3.019 8.927 1.00 0.00 H new ATOM 0 HA LYS A 79 12.572 2.352 11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.859 3.940 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.070 2.756 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.376 1.476 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.157 2.670 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.656 4.429 12.294 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.088 3.498 10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.318 3.216 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.263 1.774 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.571 2.831 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.263 2.878 14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.348 4.275 14.320 1.00 0.00 H new ATOM 1243 N HIS A 80 11.140 -0.023 9.845 1.00 0.00 N ATOM 1244 CA HIS A 80 10.618 -1.381 9.914 1.00 0.00 C ATOM 1245 C HIS A 80 11.658 -2.492 9.828 1.00 0.00 C ATOM 1246 O HIS A 80 11.273 -3.638 10.060 1.00 0.00 O ATOM 1247 CB HIS A 80 9.572 -1.572 8.812 1.00 0.00 C ATOM 1248 CG HIS A 80 8.248 -1.023 9.223 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.002 0.230 9.713 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.108 -1.745 9.329 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.742 0.246 10.155 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.155 -0.946 9.964 1.00 0.00 N ATOM 0 H HIS A 80 10.994 0.424 8.940 1.00 0.00 H new ATOM 0 HA HIS A 80 10.185 -1.476 10.910 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.906 -1.077 7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.473 -2.633 8.581 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.660 1.009 9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.962 -2.758 8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.261 1.102 10.605 1.00 0.00 H new ATOM 1260 N GLY A 81 12.921 -2.191 9.518 1.00 0.00 N ATOM 1261 CA GLY A 81 13.947 -3.202 9.281 1.00 0.00 C ATOM 1262 C GLY A 81 14.376 -3.281 7.818 1.00 0.00 C ATOM 1263 O GLY A 81 15.093 -4.211 7.450 1.00 0.00 O ATOM 0 H GLY A 81 13.260 -1.233 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.818 -2.981 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.571 -4.175 9.597 1.00 0.00 H new ATOM 1267 N ALA A 82 13.915 -2.370 6.948 1.00 0.00 N ATOM 1268 CA ALA A 82 14.252 -2.440 5.534 1.00 0.00 C ATOM 1269 C ALA A 82 15.594 -1.765 5.260 1.00 0.00 C ATOM 1270 O ALA A 82 16.096 -0.959 6.051 1.00 0.00 O ATOM 1271 CB ALA A 82 13.128 -1.833 4.689 1.00 0.00 C ATOM 0 H ALA A 82 13.314 -1.586 7.203 1.00 0.00 H new ATOM 0 HA ALA A 82 14.354 -3.487 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.394 -1.892 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.204 -2.385 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.985 -0.789 4.969 1.00 0.00 H new ATOM 1277 N ASP A 83 16.117 -2.029 4.067 1.00 0.00 N ATOM 1278 CA ASP A 83 17.457 -1.681 3.621 1.00 0.00 C ATOM 1279 C ASP A 83 17.390 -0.375 2.834 1.00 0.00 C ATOM 1280 O ASP A 83 16.302 0.064 2.452 1.00 0.00 O ATOM 1281 CB ASP A 83 18.050 -2.784 2.731 1.00 0.00 C ATOM 1282 CG ASP A 83 17.960 -4.223 3.255 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.650 -4.457 4.445 1.00 0.00 O ATOM 1284 OD2 ASP A 83 18.142 -5.152 2.436 1.00 0.00 O ATOM 0 H ASP A 83 15.586 -2.519 3.347 1.00 0.00 H new ATOM 0 HA ASP A 83 18.099 -1.568 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.550 -2.744 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.101 -2.551 2.557 1.00 0.00 H new ATOM 1289 N GLU A 84 18.534 0.245 2.558 1.00 0.00 N ATOM 1290 CA GLU A 84 18.630 1.502 1.841 1.00 0.00 C ATOM 1291 C GLU A 84 18.119 1.365 0.401 1.00 0.00 C ATOM 1292 O GLU A 84 17.277 2.153 -0.034 1.00 0.00 O ATOM 1293 CB GLU A 84 20.097 1.958 1.869 1.00 0.00 C ATOM 1294 CG GLU A 84 20.197 3.479 1.947 1.00 0.00 C ATOM 1295 CD GLU A 84 21.189 4.073 0.950 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.904 4.014 -0.268 1.00 0.00 O ATOM 1297 OE2 GLU A 84 22.192 4.686 1.387 1.00 0.00 O ATOM 0 H GLU A 84 19.442 -0.128 2.837 1.00 0.00 H new ATOM 0 HA GLU A 84 18.000 2.249 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.603 1.513 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.609 1.602 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.212 3.910 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.492 3.765 2.956 1.00 0.00 H new ATOM 1304 N THR A 85 18.609 0.364 -0.338 1.00 0.00 N ATOM 1305 CA THR A 85 18.227 0.124 -1.727 1.00 0.00 C ATOM 1306 C THR A 85 16.738 -0.194 -1.794 1.00 0.00 C ATOM 1307 O THR A 85 15.997 0.381 -2.588 1.00 0.00 O ATOM 1308 CB THR A 85 19.026 -1.056 -2.307 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.360 -1.043 -1.841 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.989 -1.060 -3.839 1.00 0.00 C ATOM 0 H THR A 85 19.289 -0.308 0.018 1.00 0.00 H new ATOM 0 HA THR A 85 18.443 1.018 -2.311 1.00 0.00 H new ATOM 0 HB THR A 85 18.551 -1.973 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.847 -1.803 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.563 -1.907 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.956 -1.143 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.421 -0.133 -4.216 1.00 0.00 H new ATOM 1318 N MET A 86 16.296 -1.105 -0.920 1.00 0.00 N ATOM 1319 CA MET A 86 14.914 -1.530 -0.836 1.00 0.00 C ATOM 1320 C MET A 86 14.012 -0.318 -0.620 1.00 0.00 C ATOM 1321 O MET A 86 12.983 -0.203 -1.274 1.00 0.00 O ATOM 1322 CB MET A 86 14.783 -2.596 0.267 1.00 0.00 C ATOM 1323 CG MET A 86 13.412 -2.585 0.943 1.00 0.00 C ATOM 1324 SD MET A 86 12.946 -4.013 1.971 1.00 0.00 S ATOM 1325 CE MET A 86 14.523 -4.753 2.499 1.00 0.00 C ATOM 0 H MET A 86 16.905 -1.568 -0.246 1.00 0.00 H new ATOM 0 HA MET A 86 14.590 -1.991 -1.769 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.963 -3.581 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.555 -2.431 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.356 -1.693 1.567 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.658 -2.476 0.164 1.00 0.00 H new ATOM 0 HE1 MET A 86 14.414 -5.164 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.800 -5.550 1.809 1.00 0.00 H new ATOM 0 HE3 MET A 86 15.300 -3.989 2.502 1.00 0.00 H new ATOM 1335 N ALA A 87 14.360 0.580 0.295 1.00 0.00 N ATOM 1336 CA ALA A 87 13.515 1.725 0.567 1.00 0.00 C ATOM 1337 C ALA A 87 13.421 2.664 -0.631 1.00 0.00 C ATOM 1338 O ALA A 87 12.337 3.193 -0.878 1.00 0.00 O ATOM 1339 CB ALA A 87 13.993 2.378 1.841 1.00 0.00 C ATOM 0 H ALA A 87 15.213 0.534 0.853 1.00 0.00 H new ATOM 0 HA ALA A 87 12.484 1.408 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.368 3.243 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.929 1.664 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.028 2.699 1.719 1.00 0.00 H new ATOM 1345 N GLN A 88 14.502 2.853 -1.398 1.00 0.00 N ATOM 1346 CA GLN A 88 14.397 3.646 -2.609 1.00 0.00 C ATOM 1347 C GLN A 88 13.562 2.920 -3.659 1.00 0.00 C ATOM 1348 O GLN A 88 12.761 3.582 -4.299 1.00 0.00 O ATOM 1349 CB GLN A 88 15.769 4.072 -3.139 1.00 0.00 C ATOM 1350 CG GLN A 88 15.651 5.047 -4.329 1.00 0.00 C ATOM 1351 CD GLN A 88 14.800 6.288 -4.032 1.00 0.00 C ATOM 1352 OE1 GLN A 88 14.860 6.847 -2.940 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.984 6.753 -4.965 1.00 0.00 N ATOM 0 H GLN A 88 15.430 2.476 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 88 13.874 4.570 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.336 4.545 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.329 3.189 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.650 5.366 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.220 4.518 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.932 6.291 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.408 7.573 -4.776 1.00 0.00 H new ATOM 1362 N GLN A 89 13.665 1.597 -3.810 1.00 0.00 N ATOM 1363 CA GLN A 89 12.824 0.808 -4.701 1.00 0.00 C ATOM 1364 C GLN A 89 11.342 0.992 -4.375 1.00 0.00 C ATOM 1365 O GLN A 89 10.523 1.263 -5.256 1.00 0.00 O ATOM 1366 CB GLN A 89 13.226 -0.652 -4.571 1.00 0.00 C ATOM 1367 CG GLN A 89 14.478 -0.952 -5.383 1.00 0.00 C ATOM 1368 CD GLN A 89 14.231 -1.209 -6.866 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.319 -0.660 -7.484 1.00 0.00 O ATOM 1370 NE2 GLN A 89 15.062 -2.044 -7.460 1.00 0.00 N ATOM 0 H GLN A 89 14.351 1.037 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 89 12.968 1.145 -5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.403 -0.891 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.409 -1.289 -4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.168 -0.114 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.972 -1.824 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.810 -2.486 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.957 -2.248 -8.454 1.00 0.00 H new ATOM 1379 N LEU A 90 11.007 0.858 -3.088 1.00 0.00 N ATOM 1380 CA LEU A 90 9.650 1.001 -2.580 1.00 0.00 C ATOM 1381 C LEU A 90 9.105 2.401 -2.820 1.00 0.00 C ATOM 1382 O LEU A 90 7.891 2.568 -2.755 1.00 0.00 O ATOM 1383 CB LEU A 90 9.591 0.677 -1.076 1.00 0.00 C ATOM 1384 CG LEU A 90 9.877 -0.785 -0.678 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.098 -0.866 0.841 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.745 -1.734 -1.067 1.00 0.00 C ATOM 0 H LEU A 90 11.689 0.643 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 90 9.028 0.291 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.306 1.318 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.600 0.944 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 90 10.769 -1.098 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.300 -1.899 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.946 -0.240 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.204 -0.516 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.000 -2.749 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.825 -1.427 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.600 -1.704 -2.147 1.00 0.00 H new ATOM 1398 N ILE A 91 9.940 3.402 -3.101 1.00 0.00 N ATOM 1399 CA ILE A 91 9.493 4.711 -3.547 1.00 0.00 C ATOM 1400 C ILE A 91 9.547 4.832 -5.056 1.00 0.00 C ATOM 1401 O ILE A 91 8.618 5.374 -5.632 1.00 0.00 O ATOM 1402 CB ILE A 91 10.254 5.814 -2.788 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.623 5.771 -1.386 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.106 7.185 -3.485 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.161 6.846 -0.455 1.00 0.00 C ATOM 0 H ILE A 91 10.954 3.321 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 91 8.440 4.843 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 91 11.332 5.660 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.543 5.885 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.804 4.792 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.655 7.940 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.506 7.124 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.052 7.460 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.676 6.761 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.237 6.719 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.956 7.829 -0.878 1.00 0.00 H new ATOM 1417 N ASP A 92 10.571 4.322 -5.715 1.00 0.00 N ATOM 1418 CA ASP A 92 10.778 4.482 -7.140 1.00 0.00 C ATOM 1419 C ASP A 92 9.581 3.949 -7.907 1.00 0.00 C ATOM 1420 O ASP A 92 9.100 4.606 -8.835 1.00 0.00 O ATOM 1421 CB ASP A 92 12.058 3.745 -7.565 1.00 0.00 C ATOM 1422 CG ASP A 92 13.308 4.618 -7.541 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.228 5.870 -7.580 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.402 4.027 -7.590 1.00 0.00 O ATOM 0 H ASP A 92 11.300 3.771 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 92 10.889 5.542 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.210 2.891 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.921 3.350 -8.572 1.00 0.00 H new ATOM 1429 N ILE A 93 9.085 2.785 -7.491 1.00 0.00 N ATOM 1430 CA ILE A 93 7.971 2.104 -8.120 1.00 0.00 C ATOM 1431 C ILE A 93 6.658 2.804 -7.731 1.00 0.00 C ATOM 1432 O ILE A 93 5.796 2.986 -8.587 1.00 0.00 O ATOM 1433 CB ILE A 93 8.049 0.606 -7.735 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.377 -0.019 -8.242 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.873 -0.176 -8.350 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.850 -1.258 -7.477 1.00 0.00 C ATOM 0 H ILE A 93 9.461 2.283 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 93 8.011 2.153 -9.208 1.00 0.00 H new ATOM 0 HB ILE A 93 8.003 0.542 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.257 -0.284 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.159 0.739 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.947 -1.226 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.932 0.233 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.907 -0.089 -9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.784 -1.617 -7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.009 -1.000 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.094 -2.040 -7.547 1.00 0.00 H new ATOM 1448 N VAL A 94 6.507 3.219 -6.468 1.00 0.00 N ATOM 1449 CA VAL A 94 5.298 3.861 -5.952 1.00 0.00 C ATOM 1450 C VAL A 94 5.121 5.248 -6.578 1.00 0.00 C ATOM 1451 O VAL A 94 4.093 5.532 -7.200 1.00 0.00 O ATOM 1452 CB VAL A 94 5.343 3.874 -4.404 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.238 4.746 -3.807 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.136 2.438 -3.911 1.00 0.00 C ATOM 0 H VAL A 94 7.238 3.115 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 94 4.413 3.293 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 94 6.305 4.281 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.307 4.726 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.353 5.771 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.265 4.363 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.164 2.420 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.169 2.071 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.928 1.801 -4.305 1.00 0.00 H new ATOM 1464 N HIS A 95 6.136 6.099 -6.446 1.00 0.00 N ATOM 1465 CA HIS A 95 6.194 7.425 -7.029 1.00 0.00 C ATOM 1466 C HIS A 95 5.976 7.299 -8.546 1.00 0.00 C ATOM 1467 O HIS A 95 5.238 8.081 -9.141 1.00 0.00 O ATOM 1468 CB HIS A 95 7.557 8.072 -6.725 1.00 0.00 C ATOM 1469 CG HIS A 95 7.603 9.571 -6.916 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.703 10.368 -6.681 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.573 10.396 -7.292 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.354 11.641 -6.925 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.075 11.703 -7.343 1.00 0.00 N ATOM 0 H HIS A 95 6.971 5.868 -5.907 1.00 0.00 H new ATOM 0 HA HIS A 95 5.418 8.060 -6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.831 7.842 -5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.311 7.615 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.559 10.093 -7.509 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.006 12.494 -6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.570 12.539 -7.639 1.00 0.00 H new ATOM 1481 N GLY A 96 6.581 6.268 -9.155 1.00 0.00 N ATOM 1482 CA GLY A 96 6.473 5.881 -10.557 1.00 0.00 C ATOM 1483 C GLY A 96 5.133 5.246 -10.943 1.00 0.00 C ATOM 1484 O GLY A 96 5.039 4.642 -12.013 1.00 0.00 O ATOM 0 H GLY A 96 7.200 5.643 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.634 6.763 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.273 5.178 -10.789 1.00 0.00 H new ATOM 1488 N CYS A 97 4.104 5.371 -10.108 1.00 0.00 N ATOM 1489 CA CYS A 97 2.724 5.032 -10.406 1.00 0.00 C ATOM 1490 C CYS A 97 1.808 6.208 -10.084 1.00 0.00 C ATOM 1491 O CYS A 97 0.837 6.367 -10.802 1.00 0.00 O ATOM 1492 CB CYS A 97 2.314 3.767 -9.659 1.00 0.00 C ATOM 1493 SG CYS A 97 2.954 2.219 -10.347 1.00 0.00 S ATOM 0 H CYS A 97 4.221 5.729 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 97 2.629 4.826 -11.472 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.648 3.851 -8.625 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.225 3.714 -9.639 1.00 0.00 H new ATOM 1498 N GLU A 98 2.098 7.096 -9.130 1.00 0.00 N ATOM 1499 CA GLU A 98 1.174 8.177 -8.738 1.00 0.00 C ATOM 1500 C GLU A 98 0.620 9.028 -9.893 1.00 0.00 C ATOM 1501 O GLU A 98 -0.461 9.597 -9.777 1.00 0.00 O ATOM 1502 CB GLU A 98 1.875 9.136 -7.789 1.00 0.00 C ATOM 1503 CG GLU A 98 1.922 8.637 -6.343 1.00 0.00 C ATOM 1504 CD GLU A 98 2.549 9.767 -5.536 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.803 10.663 -5.074 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.793 9.885 -5.571 1.00 0.00 O ATOM 0 H GLU A 98 2.974 7.091 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 98 0.332 7.655 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.893 9.304 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.366 10.099 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.922 8.403 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.513 7.724 -6.263 1.00 0.00 H new ATOM 1513 N LYS A 99 1.334 9.127 -11.009 1.00 0.00 N ATOM 1514 CA LYS A 99 0.915 9.850 -12.200 1.00 0.00 C ATOM 1515 C LYS A 99 0.946 8.940 -13.421 1.00 0.00 C ATOM 1516 O LYS A 99 0.089 9.054 -14.297 1.00 0.00 O ATOM 1517 CB LYS A 99 1.749 11.132 -12.364 1.00 0.00 C ATOM 1518 CG LYS A 99 3.279 11.071 -12.152 1.00 0.00 C ATOM 1519 CD LYS A 99 3.722 10.999 -10.674 1.00 0.00 C ATOM 1520 CE LYS A 99 5.092 11.646 -10.424 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.035 13.120 -10.401 1.00 0.00 N ATOM 0 H LYS A 99 2.250 8.691 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.122 10.168 -12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.573 11.511 -13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.351 11.873 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.671 10.200 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.731 11.950 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.975 11.493 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.757 9.955 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.489 11.288 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.786 11.326 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.987 13.502 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.683 13.468 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.395 13.431 -9.642 1.00 0.00 H new ATOM 1535 N SER A 100 1.889 8.005 -13.452 1.00 0.00 N ATOM 1536 CA SER A 100 2.042 6.942 -14.427 1.00 0.00 C ATOM 1537 C SER A 100 0.798 6.051 -14.537 1.00 0.00 C ATOM 1538 O SER A 100 0.306 5.816 -15.644 1.00 0.00 O ATOM 1539 CB SER A 100 3.290 6.197 -13.985 1.00 0.00 C ATOM 1540 OG SER A 100 4.401 7.031 -14.261 1.00 0.00 O ATOM 0 H SER A 100 2.619 7.972 -12.741 1.00 0.00 H new ATOM 0 HA SER A 100 2.150 7.327 -15.441 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.241 5.963 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.380 5.250 -14.516 1.00 0.00 H new ATOM 0 HG SER A 100 5.226 6.579 -13.985 1.00 0.00 H new ATOM 1546 N THR A 101 0.238 5.613 -13.413 1.00 0.00 N ATOM 1547 CA THR A 101 -1.006 4.866 -13.354 1.00 0.00 C ATOM 1548 C THR A 101 -2.132 5.797 -13.827 1.00 0.00 C ATOM 1549 O THR A 101 -2.340 6.857 -13.225 1.00 0.00 O ATOM 1550 CB THR A 101 -1.198 4.374 -11.915 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.263 3.353 -11.629 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.579 3.803 -11.617 1.00 0.00 C ATOM 0 H THR A 101 0.652 5.775 -12.495 1.00 0.00 H new ATOM 0 HA THR A 101 -1.004 3.989 -14.001 1.00 0.00 H new ATOM 0 HB THR A 101 -1.061 5.261 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.488 2.934 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.623 3.481 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.335 4.569 -11.792 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.769 2.951 -12.269 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.837 5.453 -14.915 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.964 6.229 -15.395 1.00 0.00 C ATOM 1562 C PRO A 102 -5.126 6.002 -14.439 1.00 0.00 C ATOM 1563 O PRO A 102 -5.400 4.868 -14.041 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.234 5.711 -16.805 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.807 4.246 -16.735 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.720 4.214 -15.667 1.00 0.00 C ATOM 0 HA PRO A 102 -3.792 7.305 -15.432 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.286 5.810 -17.074 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.661 6.261 -17.551 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.644 3.601 -16.468 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.429 3.897 -17.696 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.845 3.351 -15.013 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.733 4.129 -16.122 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.812 7.073 -14.060 1.00 0.00 N ATOM 1575 CA ALA A 103 -6.879 7.013 -13.078 1.00 0.00 C ATOM 1576 C ALA A 103 -8.040 7.917 -13.471 1.00 0.00 C ATOM 1577 O ALA A 103 -8.078 8.488 -14.565 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.306 7.328 -11.692 1.00 0.00 C ATOM 0 H ALA A 103 -5.641 8.009 -14.428 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.295 6.006 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.103 7.284 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.537 6.597 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.870 8.327 -11.697 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.001 7.989 -12.562 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.095 8.939 -12.519 1.00 0.00 C ATOM 1586 C ASN A 104 -10.105 9.571 -11.129 1.00 0.00 C ATOM 1587 O ASN A 104 -9.286 9.236 -10.266 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.438 8.295 -12.901 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.961 7.471 -11.761 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.921 7.829 -11.087 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.302 6.374 -11.466 1.00 0.00 N ATOM 0 H ASN A 104 -9.036 7.336 -11.779 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.947 9.719 -13.266 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.160 9.069 -13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.311 7.668 -13.784 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.587 5.807 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.505 6.089 -12.036 1.00 0.00 H new ATOM 1598 N ASP A 105 -11.066 10.460 -10.916 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.195 11.257 -9.714 1.00 0.00 C ATOM 1600 C ASP A 105 -11.475 10.421 -8.477 1.00 0.00 C ATOM 1601 O ASP A 105 -11.413 10.947 -7.369 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.302 12.305 -9.906 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.774 13.736 -9.964 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.735 14.073 -9.355 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -12.409 14.559 -10.655 1.00 0.00 O ATOM 0 H ASP A 105 -11.798 10.649 -11.600 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.236 11.749 -9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.843 12.087 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.018 12.222 -9.088 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.779 9.132 -8.617 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.767 8.209 -7.509 1.00 0.00 C ATOM 1612 C ASP A 106 -10.306 8.104 -7.056 1.00 0.00 C ATOM 1613 O ASP A 106 -9.534 7.307 -7.598 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.277 6.848 -7.994 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.735 6.493 -7.728 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.333 6.969 -6.739 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.238 5.625 -8.470 1.00 0.00 O ATOM 0 H ASP A 106 -12.039 8.708 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.403 8.539 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.111 6.794 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.657 6.077 -7.537 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.914 8.873 -6.040 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.691 8.650 -5.273 1.00 0.00 C ATOM 1624 C LYS A 107 -8.636 7.207 -4.784 1.00 0.00 C ATOM 1625 O LYS A 107 -7.529 6.688 -4.645 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.632 9.637 -4.103 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.339 11.048 -4.628 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.858 11.268 -4.946 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.600 11.485 -6.441 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.795 12.897 -6.830 1.00 0.00 N ATOM 0 H LYS A 107 -10.448 9.682 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.823 8.820 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.578 9.630 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.858 9.333 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.929 11.226 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.659 11.780 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.496 12.133 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.285 10.406 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.582 11.178 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.271 10.852 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.612 13.005 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.773 13.182 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.138 13.499 -6.294 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.782 6.539 -4.591 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.812 5.114 -4.321 1.00 0.00 C ATOM 1646 C CYS A 108 -9.169 4.370 -5.498 1.00 0.00 C ATOM 1647 O CYS A 108 -8.250 3.591 -5.268 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.232 4.571 -4.086 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.370 5.435 -2.969 1.00 0.00 S ATOM 0 H CYS A 108 -10.703 6.977 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.255 4.948 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.719 4.510 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.130 3.551 -3.717 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.659 4.527 -6.737 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.243 3.775 -7.917 1.00 0.00 C ATOM 1656 C ILE A 109 -7.781 4.049 -8.202 1.00 0.00 C ATOM 1657 O ILE A 109 -7.031 3.109 -8.460 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.126 4.204 -9.100 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.519 3.564 -8.960 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.516 3.911 -10.483 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.585 2.079 -9.342 1.00 0.00 C ATOM 0 H ILE A 109 -10.386 5.211 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.359 2.704 -7.753 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.207 5.290 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.852 3.675 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.222 4.117 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.202 4.244 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.569 4.441 -10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.344 2.840 -10.585 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.604 1.715 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.287 1.958 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.911 1.509 -8.703 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.405 5.328 -8.157 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.054 5.797 -8.263 1.00 0.00 C ATOM 1675 C TRP A 110 -5.165 5.010 -7.306 1.00 0.00 C ATOM 1676 O TRP A 110 -4.328 4.241 -7.766 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.077 7.294 -7.978 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.735 7.907 -7.988 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.899 7.893 -9.041 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.016 8.519 -6.887 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.725 8.510 -8.688 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.730 8.895 -7.365 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.329 8.808 -5.544 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.806 9.566 -6.558 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.392 9.466 -4.725 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.137 9.849 -5.227 1.00 0.00 C ATOM 0 H TRP A 110 -8.077 6.087 -8.040 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.635 5.641 -9.257 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.702 7.790 -8.721 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.541 7.466 -7.007 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.116 7.465 -10.009 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.945 8.665 -9.327 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.290 8.524 -5.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.847 9.863 -6.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.641 9.679 -3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.431 10.359 -4.589 1.00 0.00 H new ATOM 1697 N THR A 111 -5.393 5.126 -6.000 1.00 0.00 N ATOM 1698 CA THR A 111 -4.551 4.521 -4.981 1.00 0.00 C ATOM 1699 C THR A 111 -4.524 2.989 -5.133 1.00 0.00 C ATOM 1700 O THR A 111 -3.448 2.396 -5.034 1.00 0.00 O ATOM 1701 CB THR A 111 -5.038 5.008 -3.604 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.102 6.416 -3.555 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.116 4.543 -2.482 1.00 0.00 C ATOM 0 H THR A 111 -6.180 5.651 -5.618 1.00 0.00 H new ATOM 0 HA THR A 111 -3.512 4.832 -5.093 1.00 0.00 H new ATOM 0 HB THR A 111 -6.031 4.580 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.001 6.712 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.494 4.907 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.081 3.454 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.113 4.936 -2.649 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.657 2.340 -5.460 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.730 0.910 -5.772 1.00 0.00 C ATOM 1713 C LEU A 112 -4.762 0.593 -6.917 1.00 0.00 C ATOM 1714 O LEU A 112 -3.995 -0.363 -6.816 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.201 0.532 -6.084 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.439 -0.669 -6.986 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.127 -1.995 -6.286 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -8.873 -0.721 -7.519 1.00 0.00 C ATOM 0 H LEU A 112 -6.561 2.808 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.421 0.303 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.710 0.348 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.681 1.397 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.752 -0.538 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.313 -2.821 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.081 -2.007 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.764 -2.102 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.992 -1.596 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.570 -0.784 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.079 0.180 -8.096 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.760 1.384 -7.989 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.875 1.202 -9.129 1.00 0.00 C ATOM 1732 C GLY A 113 -2.411 1.391 -8.733 1.00 0.00 C ATOM 1733 O GLY A 113 -1.574 0.560 -9.090 1.00 0.00 O ATOM 0 H GLY A 113 -5.387 2.183 -8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.015 0.204 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.137 1.914 -9.912 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.095 2.440 -7.968 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.747 2.732 -7.476 1.00 0.00 C ATOM 1739 C VAL A 114 -0.248 1.610 -6.540 1.00 0.00 C ATOM 1740 O VAL A 114 0.960 1.449 -6.361 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.729 4.143 -6.830 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.648 4.577 -6.302 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.143 5.244 -7.826 1.00 0.00 C ATOM 0 H VAL A 114 -2.787 3.126 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.040 2.752 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.435 4.043 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.573 5.574 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.984 3.873 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.364 4.593 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.115 6.214 -7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.453 5.249 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.154 5.049 -8.185 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.140 0.787 -5.974 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.766 -0.431 -5.267 1.00 0.00 C ATOM 1755 C ALA A 115 -0.705 -1.637 -6.205 1.00 0.00 C ATOM 1756 O ALA A 115 0.164 -2.482 -6.029 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.761 -0.708 -4.136 1.00 0.00 C ATOM 0 H ALA A 115 -2.146 0.954 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 115 0.230 -0.277 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.473 -1.620 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.758 0.128 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.761 -0.829 -4.553 1.00 0.00 H new ATOM 1763 N THR A 116 -1.598 -1.762 -7.185 1.00 0.00 N ATOM 1764 CA THR A 116 -1.700 -2.947 -8.025 1.00 0.00 C ATOM 1765 C THR A 116 -0.536 -3.025 -9.021 1.00 0.00 C ATOM 1766 O THR A 116 -0.051 -4.130 -9.280 1.00 0.00 O ATOM 1767 CB THR A 116 -3.078 -2.969 -8.710 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.107 -2.851 -7.747 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.354 -4.293 -9.425 1.00 0.00 C ATOM 0 H THR A 116 -2.275 -1.036 -7.418 1.00 0.00 H new ATOM 0 HA THR A 116 -1.621 -3.841 -7.407 1.00 0.00 H new ATOM 0 HB THR A 116 -3.064 -2.142 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.123 -1.936 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.338 -4.256 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.596 -4.458 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.325 -5.109 -8.703 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.039 -1.895 -9.548 1.00 0.00 N ATOM 1778 CA CYS A 117 1.191 -1.884 -10.344 1.00 0.00 C ATOM 1779 C CYS A 117 2.323 -2.449 -9.485 1.00 0.00 C ATOM 1780 O CYS A 117 2.959 -3.442 -9.835 1.00 0.00 O ATOM 1781 CB CYS A 117 1.534 -0.465 -10.841 1.00 0.00 C ATOM 1782 SG CYS A 117 1.693 0.826 -9.569 1.00 0.00 S ATOM 0 H CYS A 117 -0.473 -0.979 -9.435 1.00 0.00 H new ATOM 0 HA CYS A 117 1.051 -2.500 -11.232 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.471 -0.515 -11.395 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.763 -0.155 -11.547 1.00 0.00 H new ATOM 1787 N PHE A 118 2.505 -1.812 -8.334 1.00 0.00 N ATOM 1788 CA PHE A 118 3.567 -1.970 -7.370 1.00 0.00 C ATOM 1789 C PHE A 118 3.610 -3.378 -6.800 1.00 0.00 C ATOM 1790 O PHE A 118 4.685 -3.971 -6.805 1.00 0.00 O ATOM 1791 CB PHE A 118 3.325 -0.907 -6.305 1.00 0.00 C ATOM 1792 CG PHE A 118 4.095 -1.077 -5.021 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.470 -0.791 -4.967 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.407 -1.479 -3.862 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.145 -0.844 -3.738 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.088 -1.551 -2.641 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.449 -1.213 -2.574 1.00 0.00 C ATOM 0 H PHE A 118 1.839 -1.101 -8.030 1.00 0.00 H new ATOM 0 HA PHE A 118 4.546 -1.835 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.572 0.067 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.261 -0.892 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.005 -0.531 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.358 -1.731 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.196 -0.602 -3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.566 -1.867 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.963 -1.237 -1.624 1.00 0.00 H new ATOM 1807 N LYS A 119 2.465 -3.941 -6.386 1.00 0.00 N ATOM 1808 CA LYS A 119 2.302 -5.332 -5.959 1.00 0.00 C ATOM 1809 C LYS A 119 3.086 -6.220 -6.896 1.00 0.00 C ATOM 1810 O LYS A 119 3.959 -6.977 -6.484 1.00 0.00 O ATOM 1811 CB LYS A 119 0.813 -5.762 -5.981 1.00 0.00 C ATOM 1812 CG LYS A 119 0.701 -7.284 -5.738 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.702 -7.854 -5.494 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.365 -8.284 -6.810 1.00 0.00 C ATOM 1815 NZ LYS A 119 -2.308 -9.409 -6.638 1.00 0.00 N ATOM 0 H LYS A 119 1.593 -3.414 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 119 2.667 -5.426 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.258 -5.221 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.365 -5.504 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.128 -7.796 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.322 -7.535 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.638 -8.708 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.321 -7.105 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.896 -7.434 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.592 -8.570 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.918 -9.482 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.775 -10.294 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.895 -9.244 -5.796 1.00 0.00 H new ATOM 1829 N ALA A 120 2.747 -6.117 -8.173 1.00 0.00 N ATOM 1830 CA ALA A 120 3.244 -7.028 -9.158 1.00 0.00 C ATOM 1831 C ALA A 120 4.745 -6.814 -9.416 1.00 0.00 C ATOM 1832 O ALA A 120 5.346 -7.677 -10.043 1.00 0.00 O ATOM 1833 CB ALA A 120 2.357 -6.888 -10.391 1.00 0.00 C ATOM 0 H ALA A 120 2.122 -5.399 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 120 3.188 -8.061 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.704 -7.569 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.328 -7.132 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.404 -5.863 -10.759 1.00 0.00 H new ATOM 1839 N GLU A 121 5.372 -5.737 -8.925 1.00 0.00 N ATOM 1840 CA GLU A 121 6.821 -5.561 -8.897 1.00 0.00 C ATOM 1841 C GLU A 121 7.461 -6.203 -7.668 1.00 0.00 C ATOM 1842 O GLU A 121 8.553 -6.747 -7.798 1.00 0.00 O ATOM 1843 CB GLU A 121 7.198 -4.076 -8.992 1.00 0.00 C ATOM 1844 CG GLU A 121 6.570 -3.382 -10.210 1.00 0.00 C ATOM 1845 CD GLU A 121 6.713 -4.240 -11.480 1.00 0.00 C ATOM 1846 OE1 GLU A 121 7.864 -4.570 -11.850 1.00 0.00 O ATOM 1847 OE2 GLU A 121 5.681 -4.667 -12.049 1.00 0.00 O ATOM 0 H GLU A 121 4.867 -4.945 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 121 7.217 -6.076 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.879 -3.565 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.283 -3.983 -9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.515 -3.188 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.048 -2.415 -10.366 1.00 0.00 H new ATOM 1854 N ILE A 122 6.785 -6.234 -6.511 1.00 0.00 N ATOM 1855 CA ILE A 122 7.193 -7.045 -5.354 1.00 0.00 C ATOM 1856 C ILE A 122 7.321 -8.492 -5.830 1.00 0.00 C ATOM 1857 O ILE A 122 8.299 -9.163 -5.511 1.00 0.00 O ATOM 1858 CB ILE A 122 6.177 -6.941 -4.184 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.732 -5.492 -3.902 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.675 -7.575 -2.875 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.809 -4.580 -3.308 1.00 0.00 C ATOM 0 H ILE A 122 5.935 -5.694 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 122 8.143 -6.677 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 122 5.319 -7.514 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.379 -5.050 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.883 -5.517 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.913 -7.464 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.876 -8.634 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.590 -7.077 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.395 -3.585 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.148 -4.990 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.652 -4.516 -3.996 1.00 0.00 H new ATOM 1873 N HIS A 123 6.351 -8.941 -6.632 1.00 0.00 N ATOM 1874 CA HIS A 123 6.355 -10.254 -7.264 1.00 0.00 C ATOM 1875 C HIS A 123 7.584 -10.480 -8.175 1.00 0.00 C ATOM 1876 O HIS A 123 8.164 -11.563 -8.108 1.00 0.00 O ATOM 1877 CB HIS A 123 5.056 -10.490 -8.050 1.00 0.00 C ATOM 1878 CG HIS A 123 3.757 -10.573 -7.282 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.660 -11.297 -7.695 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.409 -9.931 -6.121 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.675 -11.093 -6.807 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.082 -10.261 -5.833 1.00 0.00 N ATOM 0 H HIS A 123 5.526 -8.387 -6.862 1.00 0.00 H new ATOM 0 HA HIS A 123 6.420 -10.983 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.959 -9.687 -8.780 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.171 -11.418 -8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.046 -9.286 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.692 -11.536 -6.867 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.531 -9.935 -5.039 1.00 0.00 H new ATOM 1890 N LYS A 124 8.006 -9.545 -9.051 1.00 0.00 N ATOM 1891 CA LYS A 124 9.261 -9.712 -9.805 1.00 0.00 C ATOM 1892 C LYS A 124 10.471 -9.744 -8.876 1.00 0.00 C ATOM 1893 O LYS A 124 11.360 -10.582 -9.021 1.00 0.00 O ATOM 1894 CB LYS A 124 9.492 -8.575 -10.802 1.00 0.00 C ATOM 1895 CG LYS A 124 8.758 -8.731 -12.135 1.00 0.00 C ATOM 1896 CD LYS A 124 7.381 -8.082 -12.142 1.00 0.00 C ATOM 1897 CE LYS A 124 7.083 -7.280 -13.409 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.315 -8.027 -14.419 1.00 0.00 N ATOM 0 H LYS A 124 7.504 -8.680 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 124 9.156 -10.658 -10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.182 -7.637 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.561 -8.495 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.363 -8.293 -12.929 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.654 -9.792 -12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.624 -8.857 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.296 -7.423 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.530 -6.381 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.024 -6.953 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.151 -7.421 -15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.850 -8.871 -14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.401 -8.317 -14.016 1.00 0.00 H new ATOM 1912 N LEU A 125 10.535 -8.777 -7.957 1.00 0.00 N ATOM 1913 CA LEU A 125 11.615 -8.631 -6.987 1.00 0.00 C ATOM 1914 C LEU A 125 11.711 -9.875 -6.095 1.00 0.00 C ATOM 1915 O LEU A 125 12.797 -10.187 -5.610 1.00 0.00 O ATOM 1916 CB LEU A 125 11.390 -7.356 -6.155 1.00 0.00 C ATOM 1917 CG LEU A 125 11.709 -6.050 -6.911 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.005 -4.841 -6.287 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.219 -5.782 -6.925 1.00 0.00 C ATOM 0 H LEU A 125 9.817 -8.058 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 125 12.564 -8.536 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.352 -7.328 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.008 -7.405 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 125 11.344 -6.184 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.257 -3.942 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.926 -4.995 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.330 -4.724 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.419 -4.856 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.582 -5.692 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.730 -6.607 -7.420 1.00 0.00 H new ATOM 1931 N ASN A 126 10.617 -10.632 -5.984 1.00 0.00 N ATOM 1932 CA ASN A 126 10.429 -11.868 -5.242 1.00 0.00 C ATOM 1933 C ASN A 126 10.524 -11.609 -3.738 1.00 0.00 C ATOM 1934 O ASN A 126 11.277 -12.268 -3.011 1.00 0.00 O ATOM 1935 CB ASN A 126 11.341 -12.985 -5.781 1.00 0.00 C ATOM 1936 CG ASN A 126 10.811 -14.360 -5.402 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.605 -14.584 -5.370 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.674 -15.337 -5.186 1.00 0.00 N ATOM 0 H ASN A 126 9.758 -10.362 -6.462 1.00 0.00 H new ATOM 0 HA ASN A 126 9.419 -12.247 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.414 -12.907 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.348 -12.859 -5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.338 -16.280 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.676 -15.148 -5.213 1.00 0.00 H new ATOM 1945 N TRP A 127 9.773 -10.593 -3.288 1.00 0.00 N ATOM 1946 CA TRP A 127 9.789 -10.074 -1.923 1.00 0.00 C ATOM 1947 C TRP A 127 8.566 -10.476 -1.080 1.00 0.00 C ATOM 1948 O TRP A 127 8.325 -9.832 -0.058 1.00 0.00 O ATOM 1949 CB TRP A 127 10.043 -8.556 -1.882 1.00 0.00 C ATOM 1950 CG TRP A 127 11.307 -7.970 -2.431 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.457 -8.607 -2.751 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.579 -6.550 -2.612 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.427 -7.676 -3.080 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.948 -6.385 -2.973 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.806 -5.382 -2.450 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.537 -5.113 -3.064 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.374 -4.105 -2.592 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.740 -3.973 -2.880 1.00 0.00 C ATOM 0 H TRP A 127 9.116 -10.096 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 127 10.638 -10.563 -1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.216 -8.080 -2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.976 -8.249 -0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.597 -9.678 -2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.377 -7.914 -3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.756 -5.471 -2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.592 -5.014 -3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.758 -3.225 -2.479 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.180 -2.990 -2.960 1.00 0.00 H new ATOM 1969 N ALA A 128 7.788 -11.504 -1.438 1.00 0.00 N ATOM 1970 CA ALA A 128 6.666 -11.963 -0.616 1.00 0.00 C ATOM 1971 C ALA A 128 6.511 -13.469 -0.678 1.00 0.00 C ATOM 1972 O ALA A 128 6.197 -14.072 0.372 1.00 0.00 O ATOM 1973 CB ALA A 128 5.380 -11.294 -1.084 1.00 0.00 C ATOM 0 H ALA A 128 7.918 -12.036 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 128 6.871 -11.688 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.547 -11.638 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.478 -10.212 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.194 -11.553 -2.126 1.00 0.00 H new TER 1979 ALA A 128