USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 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 71 TYR OH : rot 96:sc= 0.133 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.13 K(o=0.26,f=-0.73) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.418 USER MOD Single : A 6 SER OG : rot 40:sc= 0.325 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.18! C(o=-2.2!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= -0.0922 X(o=-0.092,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -3.51! C(o=-3.5!,f=-6.8!) USER MOD Single : A 25 THR OG1 : rot -39:sc= 0.00865 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -1.92! (180deg=-2.08!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc=-0.00764 X(o=-0.0076,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc=-0.00425 (180deg=-0.102) USER MOD Single : A 62 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.8!) USER MOD Single : A 72 ASN : amide:sc= -0.765 K(o=-0.76,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.295) USER MOD Single : A 79 SER OG : rot 80:sc= 0.183 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -22:sc= -0.633 USER MOD Single : A 92 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.41) USER MOD Single : A 95 LYS NZ :NH3+ 140:sc= 0.555 (180deg=-0.921!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 62:sc= 0.494 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 39:sc= 0.532 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -76:sc= 0.223 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 32:sc= 0.345 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.849 -12.659 -8.770 1.00 0.00 N ATOM 2 CA GLY A 1 9.525 -12.919 -9.303 1.00 0.00 C ATOM 3 C GLY A 1 8.659 -13.712 -8.345 1.00 0.00 C ATOM 4 O GLY A 1 8.831 -14.922 -8.198 1.00 0.00 O ATOM 0 H1 GLY A 1 11.401 -12.114 -9.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.767 -12.115 -7.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.329 -13.561 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.036 -11.972 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.616 -13.465 -10.242 1.00 0.00 H new ATOM 8 N SER A 2 7.727 -13.029 -7.688 1.00 0.00 N ATOM 9 CA SER A 2 6.835 -13.677 -6.733 1.00 0.00 C ATOM 10 C SER A 2 5.685 -12.751 -6.349 1.00 0.00 C ATOM 11 O SER A 2 5.873 -11.545 -6.185 1.00 0.00 O ATOM 12 CB SER A 2 7.609 -14.094 -5.482 1.00 0.00 C ATOM 13 OG SER A 2 8.195 -12.971 -4.846 1.00 0.00 O ATOM 0 H SER A 2 7.570 -12.027 -7.799 1.00 0.00 H new ATOM 0 HA SER A 2 6.419 -14.566 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.938 -14.600 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.386 -14.809 -5.753 1.00 0.00 H new ATOM 0 HG SER A 2 8.683 -13.264 -4.048 1.00 0.00 H new ATOM 19 N SER A 3 4.494 -13.323 -6.207 1.00 0.00 N ATOM 20 CA SER A 3 3.312 -12.550 -5.846 1.00 0.00 C ATOM 21 C SER A 3 3.114 -12.535 -4.333 1.00 0.00 C ATOM 22 O SER A 3 2.980 -11.475 -3.724 1.00 0.00 O ATOM 23 CB SER A 3 2.071 -13.127 -6.529 1.00 0.00 C ATOM 24 OG SER A 3 2.204 -13.096 -7.939 1.00 0.00 O ATOM 0 H SER A 3 4.322 -14.320 -6.337 1.00 0.00 H new ATOM 0 HA SER A 3 3.461 -11.525 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.914 -14.154 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.190 -12.558 -6.231 1.00 0.00 H new ATOM 0 HG SER A 3 1.399 -13.472 -8.352 1.00 0.00 H new ATOM 30 N GLY A 4 3.097 -13.721 -3.733 1.00 0.00 N ATOM 31 CA GLY A 4 2.915 -13.824 -2.297 1.00 0.00 C ATOM 32 C GLY A 4 1.903 -12.827 -1.769 1.00 0.00 C ATOM 33 O GLY A 4 0.696 -13.025 -1.907 1.00 0.00 O ATOM 0 H GLY A 4 3.206 -14.613 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.591 -14.834 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.872 -13.664 -1.800 1.00 0.00 H new ATOM 37 N SER A 5 2.395 -11.753 -1.160 1.00 0.00 N ATOM 38 CA SER A 5 1.524 -10.723 -0.603 1.00 0.00 C ATOM 39 C SER A 5 0.338 -11.350 0.124 1.00 0.00 C ATOM 40 O SER A 5 -0.763 -10.800 0.127 1.00 0.00 O ATOM 41 CB SER A 5 1.025 -9.794 -1.711 1.00 0.00 C ATOM 42 OG SER A 5 0.428 -10.531 -2.764 1.00 0.00 O ATOM 0 H SER A 5 3.392 -11.573 -1.039 1.00 0.00 H new ATOM 0 HA SER A 5 2.102 -10.142 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.302 -9.089 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.857 -9.207 -2.100 1.00 0.00 H new ATOM 0 HG SER A 5 0.178 -11.421 -2.439 1.00 0.00 H new ATOM 48 N SER A 6 0.572 -12.505 0.739 1.00 0.00 N ATOM 49 CA SER A 6 -0.477 -13.209 1.466 1.00 0.00 C ATOM 50 C SER A 6 -0.478 -12.810 2.939 1.00 0.00 C ATOM 51 O SER A 6 0.559 -12.462 3.501 1.00 0.00 O ATOM 52 CB SER A 6 -0.289 -14.722 1.336 1.00 0.00 C ATOM 53 OG SER A 6 -0.372 -15.132 -0.018 1.00 0.00 O ATOM 0 H SER A 6 1.478 -12.973 0.748 1.00 0.00 H new ATOM 0 HA SER A 6 -1.437 -12.930 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.679 -15.008 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.049 -15.238 1.923 1.00 0.00 H new ATOM 0 HG SER A 6 0.081 -14.475 -0.587 1.00 0.00 H new ATOM 59 N GLY A 7 -1.654 -12.864 3.559 1.00 0.00 N ATOM 60 CA GLY A 7 -1.770 -12.506 4.961 1.00 0.00 C ATOM 61 C GLY A 7 -3.066 -12.992 5.578 1.00 0.00 C ATOM 62 O GLY A 7 -3.760 -13.832 5.004 1.00 0.00 O ATOM 0 H GLY A 7 -2.527 -13.149 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.929 -12.928 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.707 -11.423 5.063 1.00 0.00 H new ATOM 66 N LYS A 8 -3.395 -12.465 6.752 1.00 0.00 N ATOM 67 CA LYS A 8 -4.616 -12.850 7.449 1.00 0.00 C ATOM 68 C LYS A 8 -5.399 -11.619 7.896 1.00 0.00 C ATOM 69 O LYS A 8 -4.840 -10.544 8.115 1.00 0.00 O ATOM 70 CB LYS A 8 -4.283 -13.722 8.662 1.00 0.00 C ATOM 71 CG LYS A 8 -3.592 -15.026 8.301 1.00 0.00 C ATOM 72 CD LYS A 8 -3.920 -16.125 9.298 1.00 0.00 C ATOM 73 CE LYS A 8 -2.991 -17.319 9.137 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.546 -18.543 9.778 1.00 0.00 N ATOM 0 H LYS A 8 -2.832 -11.769 7.241 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.234 -13.421 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.644 -13.157 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.203 -13.945 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.898 -15.337 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.513 -14.871 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.839 -15.734 10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.953 -16.445 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.823 -17.508 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.021 -17.087 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.884 -19.334 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.683 -18.371 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.460 -18.780 9.341 1.00 0.00 H new ATOM 88 N PRO A 9 -6.723 -11.777 8.035 1.00 0.00 N ATOM 89 CA PRO A 9 -7.610 -10.689 8.458 1.00 0.00 C ATOM 90 C PRO A 9 -7.403 -10.308 9.920 1.00 0.00 C ATOM 91 O PRO A 9 -7.673 -11.100 10.822 1.00 0.00 O ATOM 92 CB PRO A 9 -9.010 -11.272 8.251 1.00 0.00 C ATOM 93 CG PRO A 9 -8.825 -12.747 8.348 1.00 0.00 C ATOM 94 CD PRO A 9 -7.457 -13.030 7.790 1.00 0.00 C ATOM 0 HA PRO A 9 -7.427 -9.773 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.705 -10.910 9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.418 -10.987 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.902 -13.083 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.594 -13.275 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.986 -13.876 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.498 -13.271 6.728 1.00 0.00 H new ATOM 102 N ASN A 10 -6.923 -9.090 10.147 1.00 0.00 N ATOM 103 CA ASN A 10 -6.680 -8.604 11.501 1.00 0.00 C ATOM 104 C ASN A 10 -7.947 -7.999 12.097 1.00 0.00 C ATOM 105 O ASN A 10 -9.014 -8.035 11.483 1.00 0.00 O ATOM 106 CB ASN A 10 -5.557 -7.564 11.498 1.00 0.00 C ATOM 107 CG ASN A 10 -5.910 -6.335 10.683 1.00 0.00 C ATOM 108 OD1 ASN A 10 -6.954 -5.717 10.891 1.00 0.00 O ATOM 109 ND2 ASN A 10 -5.038 -5.975 9.748 1.00 0.00 N ATOM 0 H ASN A 10 -6.695 -8.421 9.411 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.379 -9.452 12.116 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.338 -7.266 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.649 -8.014 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.221 -5.156 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.185 -6.517 9.610 1.00 0.00 H new ATOM 116 N LEU A 11 -7.822 -7.443 13.297 1.00 0.00 N ATOM 117 CA LEU A 11 -8.957 -6.829 13.978 1.00 0.00 C ATOM 118 C LEU A 11 -9.552 -5.704 13.137 1.00 0.00 C ATOM 119 O LEU A 11 -10.767 -5.515 13.106 1.00 0.00 O ATOM 120 CB LEU A 11 -8.526 -6.288 15.343 1.00 0.00 C ATOM 121 CG LEU A 11 -8.126 -7.334 16.384 1.00 0.00 C ATOM 122 CD1 LEU A 11 -7.450 -6.671 17.574 1.00 0.00 C ATOM 123 CD2 LEU A 11 -9.343 -8.130 16.834 1.00 0.00 C ATOM 0 H LEU A 11 -6.946 -7.405 13.819 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.721 -7.593 14.122 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.684 -5.612 15.194 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.344 -5.693 15.750 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.415 -8.022 15.926 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.172 -7.431 18.305 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.556 -6.146 17.238 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.137 -5.960 18.033 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.040 -8.870 17.575 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.077 -7.455 17.274 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.785 -8.636 15.975 1.00 0.00 H new ATOM 135 N GLY A 12 -8.687 -4.961 12.454 1.00 0.00 N ATOM 136 CA GLY A 12 -9.146 -3.866 11.620 1.00 0.00 C ATOM 137 C GLY A 12 -9.667 -4.338 10.277 1.00 0.00 C ATOM 138 O GLY A 12 -9.421 -3.706 9.251 1.00 0.00 O ATOM 0 H GLY A 12 -7.676 -5.098 12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.934 -3.322 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.326 -3.165 11.462 1.00 0.00 H new ATOM 142 N ASN A 13 -10.387 -5.455 10.283 1.00 0.00 N ATOM 143 CA ASN A 13 -10.943 -6.014 9.056 1.00 0.00 C ATOM 144 C ASN A 13 -10.012 -5.761 7.874 1.00 0.00 C ATOM 145 O ASN A 13 -10.463 -5.494 6.761 1.00 0.00 O ATOM 146 CB ASN A 13 -12.320 -5.410 8.773 1.00 0.00 C ATOM 147 CG ASN A 13 -13.286 -5.609 9.924 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.561 -6.739 10.330 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.806 -4.510 10.457 1.00 0.00 N ATOM 0 H ASN A 13 -10.599 -5.991 11.124 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.047 -7.091 9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.212 -4.344 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.734 -5.863 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.462 -4.582 11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.550 -3.594 10.089 1.00 0.00 H new ATOM 156 N GLY A 14 -8.709 -5.848 8.124 1.00 0.00 N ATOM 157 CA GLY A 14 -7.734 -5.627 7.071 1.00 0.00 C ATOM 158 C GLY A 14 -6.998 -6.895 6.687 1.00 0.00 C ATOM 159 O GLY A 14 -7.590 -7.973 6.634 1.00 0.00 O ATOM 0 H GLY A 14 -8.311 -6.068 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.238 -5.223 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.014 -4.877 7.399 1.00 0.00 H new ATOM 163 N ALA A 15 -5.703 -6.767 6.417 1.00 0.00 N ATOM 164 CA ALA A 15 -4.885 -7.911 6.036 1.00 0.00 C ATOM 165 C ALA A 15 -3.440 -7.728 6.488 1.00 0.00 C ATOM 166 O ALA A 15 -2.770 -6.776 6.088 1.00 0.00 O ATOM 167 CB ALA A 15 -4.946 -8.126 4.531 1.00 0.00 C ATOM 0 H ALA A 15 -5.198 -5.882 6.455 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.285 -8.794 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.330 -8.984 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.978 -8.311 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.574 -7.237 4.021 1.00 0.00 H new ATOM 173 N ASP A 16 -2.966 -8.645 7.325 1.00 0.00 N ATOM 174 CA ASP A 16 -1.600 -8.584 7.832 1.00 0.00 C ATOM 175 C ASP A 16 -0.625 -9.210 6.840 1.00 0.00 C ATOM 176 O ASP A 16 -0.603 -10.429 6.659 1.00 0.00 O ATOM 177 CB ASP A 16 -1.502 -9.297 9.182 1.00 0.00 C ATOM 178 CG ASP A 16 -0.081 -9.352 9.705 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.795 -9.882 8.989 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.157 -8.867 10.831 1.00 0.00 O ATOM 0 H ASP A 16 -3.508 -9.439 7.666 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.333 -7.535 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.133 -8.784 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.889 -10.311 9.083 1.00 0.00 H new ATOM 185 N LEU A 17 0.180 -8.370 6.199 1.00 0.00 N ATOM 186 CA LEU A 17 1.158 -8.841 5.225 1.00 0.00 C ATOM 187 C LEU A 17 2.575 -8.729 5.777 1.00 0.00 C ATOM 188 O LEU A 17 2.874 -7.884 6.622 1.00 0.00 O ATOM 189 CB LEU A 17 1.040 -8.039 3.927 1.00 0.00 C ATOM 190 CG LEU A 17 -0.368 -7.578 3.548 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.304 -6.400 2.590 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.157 -8.725 2.934 1.00 0.00 C ATOM 0 H LEU A 17 0.175 -7.359 6.336 1.00 0.00 H new ATOM 0 HA LEU A 17 0.951 -9.891 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.679 -7.160 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.434 -8.646 3.112 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.880 -7.255 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.315 -6.086 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.223 -5.573 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.227 -6.696 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.156 -8.379 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.647 -9.079 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.233 -9.540 3.653 1.00 0.00 H new ATOM 204 N PRO A 18 3.471 -9.600 5.290 1.00 0.00 N ATOM 205 CA PRO A 18 4.873 -9.618 5.719 1.00 0.00 C ATOM 206 C PRO A 18 5.645 -8.398 5.227 1.00 0.00 C ATOM 207 O PRO A 18 6.698 -8.061 5.766 1.00 0.00 O ATOM 208 CB PRO A 18 5.424 -10.894 5.078 1.00 0.00 C ATOM 209 CG PRO A 18 4.551 -11.131 3.894 1.00 0.00 C ATOM 210 CD PRO A 18 3.185 -10.635 4.282 1.00 0.00 C ATOM 0 HA PRO A 18 4.968 -9.595 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.466 -10.771 4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.386 -11.734 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.926 -10.599 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.523 -12.189 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.648 -10.225 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.568 -11.435 4.691 1.00 0.00 H new ATOM 218 N ASN A 19 5.114 -7.741 4.202 1.00 0.00 N ATOM 219 CA ASN A 19 5.754 -6.559 3.638 1.00 0.00 C ATOM 220 C ASN A 19 5.225 -5.288 4.296 1.00 0.00 C ATOM 221 O ASN A 19 5.950 -4.303 4.441 1.00 0.00 O ATOM 222 CB ASN A 19 5.521 -6.499 2.127 1.00 0.00 C ATOM 223 CG ASN A 19 6.362 -7.510 1.371 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.897 -8.450 1.958 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.482 -7.319 0.063 1.00 0.00 N ATOM 0 H ASN A 19 4.242 -8.007 3.745 1.00 0.00 H new ATOM 0 HA ASN A 19 6.824 -6.629 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.467 -6.679 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.751 -5.497 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.036 -7.966 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.020 -6.525 -0.381 1.00 0.00 H new ATOM 232 N TYR A 20 3.958 -5.317 4.692 1.00 0.00 N ATOM 233 CA TYR A 20 3.331 -4.167 5.333 1.00 0.00 C ATOM 234 C TYR A 20 1.947 -4.528 5.866 1.00 0.00 C ATOM 235 O TYR A 20 1.339 -5.507 5.434 1.00 0.00 O ATOM 236 CB TYR A 20 3.221 -3.003 4.347 1.00 0.00 C ATOM 237 CG TYR A 20 2.813 -3.427 2.954 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.504 -3.800 2.676 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.737 -3.454 1.916 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.127 -4.188 1.404 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.368 -3.839 0.642 1.00 0.00 C ATOM 242 CZ TYR A 20 2.062 -4.205 0.391 1.00 0.00 C ATOM 243 OH TYR A 20 1.691 -4.591 -0.877 1.00 0.00 O ATOM 0 H TYR A 20 3.344 -6.124 4.581 1.00 0.00 H new ATOM 0 HA TYR A 20 3.958 -3.865 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.495 -2.284 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.181 -2.490 4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.769 -3.787 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.761 -3.169 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.105 -4.476 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.098 -3.853 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 20 2.468 -4.546 -1.473 1.00 0.00 H new ATOM 253 N ARG A 21 1.457 -3.729 6.808 1.00 0.00 N ATOM 254 CA ARG A 21 0.146 -3.963 7.402 1.00 0.00 C ATOM 255 C ARG A 21 -0.788 -2.785 7.138 1.00 0.00 C ATOM 256 O ARG A 21 -0.401 -1.627 7.290 1.00 0.00 O ATOM 257 CB ARG A 21 0.279 -4.195 8.908 1.00 0.00 C ATOM 258 CG ARG A 21 0.970 -3.057 9.641 1.00 0.00 C ATOM 259 CD ARG A 21 0.535 -2.986 11.096 1.00 0.00 C ATOM 260 NE ARG A 21 1.226 -1.924 11.823 1.00 0.00 N ATOM 261 CZ ARG A 21 2.435 -2.064 12.354 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.084 -3.215 12.239 1.00 0.00 N ATOM 263 NH2 ARG A 21 2.999 -1.052 13.000 1.00 0.00 N ATOM 0 H ARG A 21 1.948 -2.914 7.176 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.281 -4.854 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.714 -4.340 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.836 -5.116 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.050 -3.192 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.743 -2.113 9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.541 -2.818 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.730 -3.943 11.580 1.00 0.00 H new ATOM 0 HE ARG A 21 0.754 -1.026 11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.655 -3.995 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.013 -3.320 12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.504 -0.165 13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.928 -1.161 13.407 1.00 0.00 H new ATOM 277 N TRP A 22 -2.019 -3.091 6.743 1.00 0.00 N ATOM 278 CA TRP A 22 -3.008 -2.058 6.458 1.00 0.00 C ATOM 279 C TRP A 22 -4.391 -2.480 6.942 1.00 0.00 C ATOM 280 O TRP A 22 -4.763 -3.650 6.848 1.00 0.00 O ATOM 281 CB TRP A 22 -3.048 -1.761 4.958 1.00 0.00 C ATOM 282 CG TRP A 22 -3.552 -2.910 4.138 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.800 -3.796 3.420 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.918 -3.295 3.951 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.617 -4.709 2.798 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.921 -4.424 3.108 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.139 -2.797 4.414 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.097 -5.060 2.720 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.305 -3.430 4.028 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.278 -4.551 3.189 1.00 0.00 C ATOM 0 H TRP A 22 -2.356 -4.045 6.613 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.717 -1.154 6.993 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.684 -0.893 4.784 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.046 -1.495 4.621 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.722 -3.781 3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.304 -5.475 2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.171 -1.933 5.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.078 -5.924 2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.254 -3.054 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.207 -5.023 2.906 1.00 0.00 H new ATOM 301 N THR A 23 -5.151 -1.519 7.459 1.00 0.00 N ATOM 302 CA THR A 23 -6.493 -1.792 7.958 1.00 0.00 C ATOM 303 C THR A 23 -7.542 -1.018 7.168 1.00 0.00 C ATOM 304 O THR A 23 -7.207 -0.192 6.320 1.00 0.00 O ATOM 305 CB THR A 23 -6.621 -1.432 9.450 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.228 -0.071 9.661 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.762 -2.351 10.305 1.00 0.00 C ATOM 0 H THR A 23 -4.860 -0.545 7.543 1.00 0.00 H new ATOM 0 HA THR A 23 -6.665 -2.861 7.834 1.00 0.00 H new ATOM 0 HB THR A 23 -7.663 -1.559 9.743 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.314 0.151 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.869 -2.077 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.083 -3.383 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.718 -2.252 10.009 1.00 0.00 H new ATOM 315 N GLN A 24 -8.811 -1.290 7.453 1.00 0.00 N ATOM 316 CA GLN A 24 -9.908 -0.618 6.768 1.00 0.00 C ATOM 317 C GLN A 24 -11.162 -0.598 7.637 1.00 0.00 C ATOM 318 O GLN A 24 -11.515 -1.600 8.260 1.00 0.00 O ATOM 319 CB GLN A 24 -10.207 -1.310 5.437 1.00 0.00 C ATOM 320 CG GLN A 24 -10.829 -2.688 5.594 1.00 0.00 C ATOM 321 CD GLN A 24 -10.754 -3.511 4.323 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.219 -3.061 3.310 1.00 0.00 O ATOM 323 NE2 GLN A 24 -11.291 -4.725 4.371 1.00 0.00 N ATOM 0 H GLN A 24 -9.105 -1.971 8.153 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.605 0.411 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.879 -0.681 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.282 -1.401 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.322 -3.222 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.872 -2.580 5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.724 -5.057 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.270 -5.325 3.546 1.00 0.00 H new ATOM 332 N THR A 25 -11.832 0.550 7.675 1.00 0.00 N ATOM 333 CA THR A 25 -13.045 0.701 8.468 1.00 0.00 C ATOM 334 C THR A 25 -14.142 1.394 7.668 1.00 0.00 C ATOM 335 O THR A 25 -13.977 1.672 6.480 1.00 0.00 O ATOM 336 CB THR A 25 -12.778 1.505 9.755 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.429 2.854 9.426 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.659 0.870 10.567 1.00 0.00 C ATOM 0 H THR A 25 -11.554 1.389 7.165 1.00 0.00 H new ATOM 0 HA THR A 25 -13.374 -0.303 8.737 1.00 0.00 H new ATOM 0 HB THR A 25 -13.688 1.502 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.861 2.859 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.488 1.455 11.471 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.940 -0.147 10.841 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.746 0.847 9.972 1.00 0.00 H new ATOM 346 N LEU A 26 -15.262 1.670 8.326 1.00 0.00 N ATOM 347 CA LEU A 26 -16.388 2.332 7.676 1.00 0.00 C ATOM 348 C LEU A 26 -16.178 3.842 7.628 1.00 0.00 C ATOM 349 O LEU A 26 -17.138 4.611 7.577 1.00 0.00 O ATOM 350 CB LEU A 26 -17.689 2.009 8.413 1.00 0.00 C ATOM 351 CG LEU A 26 -18.304 0.640 8.121 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.601 0.461 8.895 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.544 0.470 6.628 1.00 0.00 C ATOM 0 H LEU A 26 -15.415 1.446 9.309 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.455 1.961 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.503 2.080 9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.423 2.775 8.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.602 -0.128 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.024 -0.519 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.400 0.538 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.309 1.236 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.982 -0.510 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.226 1.245 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.597 0.553 6.095 1.00 0.00 H new ATOM 365 N ALA A 27 -14.917 4.260 7.643 1.00 0.00 N ATOM 366 CA ALA A 27 -14.581 5.678 7.597 1.00 0.00 C ATOM 367 C ALA A 27 -13.452 5.942 6.607 1.00 0.00 C ATOM 368 O ALA A 27 -13.576 6.789 5.723 1.00 0.00 O ATOM 369 CB ALA A 27 -14.198 6.175 8.983 1.00 0.00 C ATOM 0 H ALA A 27 -14.111 3.637 7.687 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.461 6.224 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.950 7.235 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.035 6.030 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.334 5.616 9.344 1.00 0.00 H new ATOM 375 N GLU A 28 -12.351 5.213 6.762 1.00 0.00 N ATOM 376 CA GLU A 28 -11.200 5.371 5.882 1.00 0.00 C ATOM 377 C GLU A 28 -10.282 4.154 5.962 1.00 0.00 C ATOM 378 O GLU A 28 -10.508 3.244 6.760 1.00 0.00 O ATOM 379 CB GLU A 28 -10.420 6.636 6.248 1.00 0.00 C ATOM 380 CG GLU A 28 -9.868 6.623 7.664 1.00 0.00 C ATOM 381 CD GLU A 28 -10.886 7.079 8.691 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.469 8.168 8.505 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.098 6.349 9.681 1.00 0.00 O ATOM 0 H GLU A 28 -12.232 4.507 7.489 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.567 5.461 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.595 6.759 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.072 7.502 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.535 5.615 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.992 7.270 7.714 1.00 0.00 H new ATOM 390 N LEU A 29 -9.248 4.146 5.129 1.00 0.00 N ATOM 391 CA LEU A 29 -8.295 3.041 5.104 1.00 0.00 C ATOM 392 C LEU A 29 -6.914 3.502 5.556 1.00 0.00 C ATOM 393 O LEU A 29 -6.421 4.542 5.118 1.00 0.00 O ATOM 394 CB LEU A 29 -8.211 2.446 3.697 1.00 0.00 C ATOM 395 CG LEU A 29 -7.887 0.954 3.617 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.526 0.334 2.385 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.381 0.735 3.606 1.00 0.00 C ATOM 0 H LEU A 29 -9.047 4.891 4.462 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.646 2.275 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.163 2.618 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.452 2.993 3.138 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.299 0.465 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.284 -0.728 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.608 0.458 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.145 0.827 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.169 -0.333 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.946 1.238 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.947 1.143 4.519 1.00 0.00 H new ATOM 409 N ASP A 30 -6.293 2.722 6.434 1.00 0.00 N ATOM 410 CA ASP A 30 -4.967 3.049 6.944 1.00 0.00 C ATOM 411 C ASP A 30 -3.929 2.051 6.438 1.00 0.00 C ATOM 412 O ASP A 30 -4.165 0.842 6.435 1.00 0.00 O ATOM 413 CB ASP A 30 -4.974 3.064 8.474 1.00 0.00 C ATOM 414 CG ASP A 30 -6.126 3.872 9.039 1.00 0.00 C ATOM 415 OD1 ASP A 30 -7.269 3.369 9.019 1.00 0.00 O ATOM 416 OD2 ASP A 30 -5.885 5.008 9.499 1.00 0.00 O ATOM 0 H ASP A 30 -6.687 1.858 6.807 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.700 4.041 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.035 2.041 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.032 3.478 8.835 1.00 0.00 H new ATOM 421 N LEU A 31 -2.781 2.565 6.011 1.00 0.00 N ATOM 422 CA LEU A 31 -1.707 1.719 5.502 1.00 0.00 C ATOM 423 C LEU A 31 -0.374 2.085 6.146 1.00 0.00 C ATOM 424 O LEU A 31 -0.023 3.260 6.244 1.00 0.00 O ATOM 425 CB LEU A 31 -1.605 1.851 3.981 1.00 0.00 C ATOM 426 CG LEU A 31 -0.211 1.661 3.383 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.215 0.204 3.473 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.180 2.139 1.939 1.00 0.00 C ATOM 0 H LEU A 31 -2.570 3.563 6.007 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.940 0.685 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.276 1.121 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.969 2.838 3.697 1.00 0.00 H new ATOM 0 HG LEU A 31 0.494 2.261 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.210 0.088 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.234 -0.106 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.493 -0.417 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.820 1.996 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.898 1.567 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.440 3.197 1.900 1.00 0.00 H new ATOM 440 N ALA A 32 0.365 1.070 6.582 1.00 0.00 N ATOM 441 CA ALA A 32 1.662 1.285 7.212 1.00 0.00 C ATOM 442 C ALA A 32 2.729 0.389 6.593 1.00 0.00 C ATOM 443 O ALA A 32 2.698 -0.832 6.753 1.00 0.00 O ATOM 444 CB ALA A 32 1.567 1.037 8.711 1.00 0.00 C ATOM 0 H ALA A 32 0.088 0.091 6.511 1.00 0.00 H new ATOM 0 HA ALA A 32 1.953 2.322 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.542 1.201 9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.841 1.722 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.250 0.010 8.890 1.00 0.00 H new ATOM 450 N VAL A 33 3.671 1.002 5.884 1.00 0.00 N ATOM 451 CA VAL A 33 4.748 0.259 5.240 1.00 0.00 C ATOM 452 C VAL A 33 6.060 0.424 6.000 1.00 0.00 C ATOM 453 O VAL A 33 6.739 1.447 5.902 1.00 0.00 O ATOM 454 CB VAL A 33 4.951 0.715 3.783 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.149 0.010 3.165 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.693 0.462 2.966 1.00 0.00 C ATOM 0 H VAL A 33 3.710 2.011 5.741 1.00 0.00 H new ATOM 0 HA VAL A 33 4.457 -0.791 5.247 1.00 0.00 H new ATOM 0 HB VAL A 33 5.149 1.787 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.277 0.345 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.046 0.247 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.984 -1.067 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.854 0.790 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.462 -0.603 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.861 1.018 3.398 1.00 0.00 H new ATOM 466 N PRO A 34 6.427 -0.606 6.777 1.00 0.00 N ATOM 467 CA PRO A 34 7.661 -0.600 7.568 1.00 0.00 C ATOM 468 C PRO A 34 8.910 -0.684 6.696 1.00 0.00 C ATOM 469 O PRO A 34 9.079 -1.631 5.928 1.00 0.00 O ATOM 470 CB PRO A 34 7.531 -1.852 8.438 1.00 0.00 C ATOM 471 CG PRO A 34 6.627 -2.754 7.670 1.00 0.00 C ATOM 472 CD PRO A 34 5.667 -1.856 6.941 1.00 0.00 C ATOM 0 HA PRO A 34 7.775 0.322 8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.502 -2.317 8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.114 -1.613 9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.193 -3.370 6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.096 -3.434 8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.374 -2.277 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.752 -1.698 7.512 1.00 0.00 H new ATOM 480 N PHE A 35 9.781 0.311 6.821 1.00 0.00 N ATOM 481 CA PHE A 35 11.015 0.349 6.043 1.00 0.00 C ATOM 482 C PHE A 35 12.226 0.080 6.931 1.00 0.00 C ATOM 483 O PHE A 35 12.525 0.852 7.842 1.00 0.00 O ATOM 484 CB PHE A 35 11.166 1.706 5.353 1.00 0.00 C ATOM 485 CG PHE A 35 10.341 1.838 4.104 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.593 1.035 3.003 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.314 2.765 4.031 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.836 1.155 1.853 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.553 2.889 2.884 1.00 0.00 C ATOM 490 CZ PHE A 35 8.814 2.082 1.794 1.00 0.00 C ATOM 0 H PHE A 35 9.656 1.102 7.453 1.00 0.00 H new ATOM 0 HA PHE A 35 10.962 -0.432 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.882 2.493 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.215 1.863 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.390 0.307 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.106 3.398 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.043 0.524 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.755 3.616 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.220 2.176 0.897 1.00 0.00 H new ATOM 500 N ARG A 36 12.919 -1.021 6.660 1.00 0.00 N ATOM 501 CA ARG A 36 14.096 -1.394 7.434 1.00 0.00 C ATOM 502 C ARG A 36 15.218 -0.378 7.241 1.00 0.00 C ATOM 503 O ARG A 36 16.182 -0.631 6.519 1.00 0.00 O ATOM 504 CB ARG A 36 14.580 -2.787 7.029 1.00 0.00 C ATOM 505 CG ARG A 36 15.600 -3.380 7.986 1.00 0.00 C ATOM 506 CD ARG A 36 15.937 -4.818 7.621 1.00 0.00 C ATOM 507 NE ARG A 36 16.540 -4.919 6.296 1.00 0.00 N ATOM 508 CZ ARG A 36 17.848 -4.844 6.076 1.00 0.00 C ATOM 509 NH1 ARG A 36 18.685 -4.668 7.089 1.00 0.00 N ATOM 510 NH2 ARG A 36 18.321 -4.945 4.840 1.00 0.00 N ATOM 0 H ARG A 36 12.685 -1.671 5.909 1.00 0.00 H new ATOM 0 HA ARG A 36 13.817 -1.406 8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.722 -3.456 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.017 -2.735 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.508 -2.777 7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.210 -3.344 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.621 -5.229 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.030 -5.422 7.654 1.00 0.00 H new ATOM 0 HE ARG A 36 15.923 -5.055 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.325 -4.590 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.689 -4.611 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.680 -5.080 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.325 -4.887 4.672 1.00 0.00 H new ATOM 524 N VAL A 37 15.085 0.774 7.892 1.00 0.00 N ATOM 525 CA VAL A 37 16.087 1.828 7.792 1.00 0.00 C ATOM 526 C VAL A 37 16.591 2.239 9.171 1.00 0.00 C ATOM 527 O VAL A 37 15.841 2.225 10.147 1.00 0.00 O ATOM 528 CB VAL A 37 15.526 3.069 7.072 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.169 2.735 5.632 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.318 3.616 7.816 1.00 0.00 C ATOM 0 H VAL A 37 14.293 1.000 8.494 1.00 0.00 H new ATOM 0 HA VAL A 37 16.916 1.423 7.211 1.00 0.00 H new ATOM 0 HB VAL A 37 16.296 3.840 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.774 3.624 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.061 2.394 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.416 1.947 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.935 4.492 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.542 2.852 7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.610 3.896 8.828 1.00 0.00 H new ATOM 540 N SER A 38 17.867 2.605 9.243 1.00 0.00 N ATOM 541 CA SER A 38 18.473 3.017 10.504 1.00 0.00 C ATOM 542 C SER A 38 18.672 4.529 10.542 1.00 0.00 C ATOM 543 O SER A 38 19.534 5.036 11.262 1.00 0.00 O ATOM 544 CB SER A 38 19.815 2.310 10.704 1.00 0.00 C ATOM 545 OG SER A 38 19.645 1.076 11.381 1.00 0.00 O ATOM 0 H SER A 38 18.501 2.625 8.444 1.00 0.00 H new ATOM 0 HA SER A 38 17.798 2.736 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.286 2.136 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.486 2.952 11.274 1.00 0.00 H new ATOM 0 HG SER A 38 20.517 0.643 11.495 1.00 0.00 H new ATOM 551 N PHE A 39 17.869 5.245 9.763 1.00 0.00 N ATOM 552 CA PHE A 39 17.956 6.700 9.706 1.00 0.00 C ATOM 553 C PHE A 39 16.578 7.320 9.497 1.00 0.00 C ATOM 554 O PHE A 39 15.571 6.614 9.433 1.00 0.00 O ATOM 555 CB PHE A 39 18.898 7.132 8.579 1.00 0.00 C ATOM 556 CG PHE A 39 18.498 6.608 7.230 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.924 5.361 6.801 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.695 7.363 6.389 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.558 4.878 5.560 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.325 6.884 5.147 1.00 0.00 C ATOM 561 CZ PHE A 39 17.757 5.640 4.732 1.00 0.00 C ATOM 0 H PHE A 39 17.150 4.842 9.162 1.00 0.00 H new ATOM 0 HA PHE A 39 18.353 7.053 10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.932 8.221 8.542 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.907 6.790 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.549 4.760 7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.355 8.337 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.898 3.905 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.699 7.482 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.469 5.263 3.762 1.00 0.00 H new ATOM 571 N ARG A 40 16.541 8.644 9.392 1.00 0.00 N ATOM 572 CA ARG A 40 15.286 9.360 9.192 1.00 0.00 C ATOM 573 C ARG A 40 14.994 9.541 7.706 1.00 0.00 C ATOM 574 O ARG A 40 15.826 10.056 6.957 1.00 0.00 O ATOM 575 CB ARG A 40 15.337 10.724 9.883 1.00 0.00 C ATOM 576 CG ARG A 40 13.981 11.215 10.363 1.00 0.00 C ATOM 577 CD ARG A 40 13.940 12.732 10.460 1.00 0.00 C ATOM 578 NE ARG A 40 12.999 13.190 11.479 1.00 0.00 N ATOM 579 CZ ARG A 40 13.241 13.128 12.783 1.00 0.00 C ATOM 580 NH1 ARG A 40 14.388 12.631 13.226 1.00 0.00 N ATOM 581 NH2 ARG A 40 12.335 13.565 13.649 1.00 0.00 N ATOM 0 H ARG A 40 17.365 9.243 9.442 1.00 0.00 H new ATOM 0 HA ARG A 40 14.484 8.767 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.015 10.665 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.755 11.456 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.205 10.872 9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.760 10.781 11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.937 13.107 10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.659 13.150 9.493 1.00 0.00 H new ATOM 0 HE ARG A 40 12.107 13.579 11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.088 12.295 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.571 12.585 14.228 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.452 13.949 13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.522 13.517 14.651 1.00 0.00 H new ATOM 595 N LEU A 41 13.809 9.115 7.285 1.00 0.00 N ATOM 596 CA LEU A 41 13.407 9.229 5.887 1.00 0.00 C ATOM 597 C LEU A 41 12.909 10.638 5.577 1.00 0.00 C ATOM 598 O LEU A 41 12.341 11.310 6.438 1.00 0.00 O ATOM 599 CB LEU A 41 12.315 8.208 5.564 1.00 0.00 C ATOM 600 CG LEU A 41 12.766 6.750 5.471 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.573 5.835 5.247 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.789 6.578 4.358 1.00 0.00 C ATOM 0 H LEU A 41 13.109 8.687 7.891 1.00 0.00 H new ATOM 0 HA LEU A 41 14.280 9.026 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.541 8.280 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.854 8.486 4.616 1.00 0.00 H new ATOM 0 HG LEU A 41 13.236 6.475 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.914 4.802 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.875 5.937 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.073 6.110 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.099 5.534 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.345 6.872 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.657 7.204 4.562 1.00 0.00 H new ATOM 614 N LYS A 42 13.124 11.077 4.342 1.00 0.00 N ATOM 615 CA LYS A 42 12.695 12.404 3.916 1.00 0.00 C ATOM 616 C LYS A 42 11.549 12.309 2.913 1.00 0.00 C ATOM 617 O LYS A 42 11.464 11.354 2.142 1.00 0.00 O ATOM 618 CB LYS A 42 13.867 13.168 3.297 1.00 0.00 C ATOM 619 CG LYS A 42 15.059 13.312 4.227 1.00 0.00 C ATOM 620 CD LYS A 42 14.853 14.439 5.225 1.00 0.00 C ATOM 621 CE LYS A 42 15.593 14.173 6.527 1.00 0.00 C ATOM 622 NZ LYS A 42 14.749 13.430 7.503 1.00 0.00 N ATOM 0 H LYS A 42 13.593 10.533 3.618 1.00 0.00 H new ATOM 0 HA LYS A 42 12.342 12.944 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.185 12.655 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.527 14.160 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.220 12.376 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.958 13.503 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.201 15.377 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.789 14.557 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.498 13.601 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.908 15.120 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.236 13.387 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.838 13.919 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.582 12.465 7.154 1.00 0.00 H new ATOM 636 N GLY A 43 10.671 13.308 2.928 1.00 0.00 N ATOM 637 CA GLY A 43 9.544 13.318 2.014 1.00 0.00 C ATOM 638 C GLY A 43 9.964 13.111 0.572 1.00 0.00 C ATOM 639 O GLY A 43 9.234 12.510 -0.216 1.00 0.00 O ATOM 0 H GLY A 43 10.720 14.110 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.841 12.535 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.017 14.268 2.103 1.00 0.00 H new ATOM 643 N LYS A 44 11.145 13.612 0.224 1.00 0.00 N ATOM 644 CA LYS A 44 11.663 13.480 -1.132 1.00 0.00 C ATOM 645 C LYS A 44 12.312 12.115 -1.337 1.00 0.00 C ATOM 646 O LYS A 44 12.295 11.568 -2.440 1.00 0.00 O ATOM 647 CB LYS A 44 12.677 14.588 -1.423 1.00 0.00 C ATOM 648 CG LYS A 44 13.794 14.674 -0.397 1.00 0.00 C ATOM 649 CD LYS A 44 15.095 15.144 -1.027 1.00 0.00 C ATOM 650 CE LYS A 44 15.244 16.655 -0.936 1.00 0.00 C ATOM 651 NZ LYS A 44 16.266 17.170 -1.889 1.00 0.00 N ATOM 0 H LYS A 44 11.761 14.114 0.863 1.00 0.00 H new ATOM 0 HA LYS A 44 10.826 13.572 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.112 14.421 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.156 15.545 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.506 15.360 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.943 13.697 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.937 14.664 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.126 14.836 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.284 17.128 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.523 16.932 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.338 18.203 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.188 16.738 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.987 16.928 -2.861 1.00 0.00 H new ATOM 665 N ASP A 45 12.883 11.571 -0.268 1.00 0.00 N ATOM 666 CA ASP A 45 13.536 10.268 -0.330 1.00 0.00 C ATOM 667 C ASP A 45 12.531 9.173 -0.672 1.00 0.00 C ATOM 668 O ASP A 45 12.825 8.269 -1.455 1.00 0.00 O ATOM 669 CB ASP A 45 14.219 9.953 1.001 1.00 0.00 C ATOM 670 CG ASP A 45 15.582 10.605 1.121 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.664 11.842 0.968 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.567 9.879 1.369 1.00 0.00 O ATOM 0 H ASP A 45 12.907 12.012 0.652 1.00 0.00 H new ATOM 0 HA ASP A 45 14.290 10.303 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.585 10.291 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.326 8.873 1.105 1.00 0.00 H new ATOM 677 N VAL A 46 11.344 9.259 -0.079 1.00 0.00 N ATOM 678 CA VAL A 46 10.296 8.275 -0.321 1.00 0.00 C ATOM 679 C VAL A 46 9.384 8.713 -1.462 1.00 0.00 C ATOM 680 O VAL A 46 9.189 9.906 -1.692 1.00 0.00 O ATOM 681 CB VAL A 46 9.445 8.040 0.941 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.291 7.435 2.050 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.801 9.340 1.398 1.00 0.00 C ATOM 0 H VAL A 46 11.085 10.000 0.572 1.00 0.00 H new ATOM 0 HA VAL A 46 10.793 7.344 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 46 8.651 7.334 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.673 7.276 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.700 6.481 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.108 8.114 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.203 9.156 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.577 10.070 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.160 9.727 0.606 1.00 0.00 H new ATOM 693 N VAL A 47 8.825 7.739 -2.173 1.00 0.00 N ATOM 694 CA VAL A 47 7.932 8.023 -3.290 1.00 0.00 C ATOM 695 C VAL A 47 6.525 7.503 -3.014 1.00 0.00 C ATOM 696 O VAL A 47 6.270 6.301 -3.086 1.00 0.00 O ATOM 697 CB VAL A 47 8.451 7.397 -4.598 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.470 7.644 -5.734 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.827 7.946 -4.941 1.00 0.00 C ATOM 0 H VAL A 47 8.975 6.746 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 47 7.901 9.107 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 47 8.540 6.320 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.853 7.195 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.507 7.198 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.346 8.717 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.179 7.493 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.767 9.027 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.523 7.712 -4.136 1.00 0.00 H new ATOM 709 N VAL A 48 5.614 8.418 -2.697 1.00 0.00 N ATOM 710 CA VAL A 48 4.231 8.053 -2.412 1.00 0.00 C ATOM 711 C VAL A 48 3.266 8.805 -3.321 1.00 0.00 C ATOM 712 O VAL A 48 3.041 10.003 -3.149 1.00 0.00 O ATOM 713 CB VAL A 48 3.867 8.341 -0.943 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.389 8.077 -0.698 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.728 7.507 -0.007 1.00 0.00 C ATOM 0 H VAL A 48 5.809 9.417 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 48 4.140 6.983 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 48 4.063 9.393 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.150 8.286 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.792 8.722 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.164 7.034 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.457 7.724 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.566 6.448 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.779 7.751 -0.165 1.00 0.00 H new ATOM 725 N ASP A 49 2.697 8.093 -4.287 1.00 0.00 N ATOM 726 CA ASP A 49 1.753 8.692 -5.224 1.00 0.00 C ATOM 727 C ASP A 49 0.318 8.318 -4.864 1.00 0.00 C ATOM 728 O ASP A 49 -0.067 7.150 -4.940 1.00 0.00 O ATOM 729 CB ASP A 49 2.066 8.246 -6.653 1.00 0.00 C ATOM 730 CG ASP A 49 1.617 9.259 -7.687 1.00 0.00 C ATOM 731 OD1 ASP A 49 1.591 10.464 -7.364 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.290 8.845 -8.820 1.00 0.00 O ATOM 0 H ASP A 49 2.873 7.100 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 49 1.854 9.775 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.139 8.081 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.577 7.291 -6.848 1.00 0.00 H new ATOM 737 N ILE A 50 -0.467 9.315 -4.470 1.00 0.00 N ATOM 738 CA ILE A 50 -1.858 9.090 -4.098 1.00 0.00 C ATOM 739 C ILE A 50 -2.806 9.611 -5.173 1.00 0.00 C ATOM 740 O ILE A 50 -2.863 10.812 -5.434 1.00 0.00 O ATOM 741 CB ILE A 50 -2.199 9.766 -2.757 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.295 9.229 -1.646 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.664 9.545 -2.410 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.397 10.010 -0.354 1.00 0.00 C ATOM 0 H ILE A 50 -0.163 10.286 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.986 8.012 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.027 10.838 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.550 8.187 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.261 9.245 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.890 10.029 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.292 9.972 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.862 8.476 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.729 9.574 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.113 11.047 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.422 9.973 0.014 1.00 0.00 H new ATOM 756 N GLN A 51 -3.548 8.699 -5.793 1.00 0.00 N ATOM 757 CA GLN A 51 -4.495 9.068 -6.839 1.00 0.00 C ATOM 758 C GLN A 51 -5.923 8.728 -6.426 1.00 0.00 C ATOM 759 O GLN A 51 -6.147 8.100 -5.391 1.00 0.00 O ATOM 760 CB GLN A 51 -4.146 8.354 -8.146 1.00 0.00 C ATOM 761 CG GLN A 51 -3.086 9.071 -8.967 1.00 0.00 C ATOM 762 CD GLN A 51 -3.148 8.715 -10.439 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.272 8.025 -10.961 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.188 9.186 -11.118 1.00 0.00 N ATOM 0 H GLN A 51 -3.512 7.700 -5.589 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.428 10.145 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.797 7.347 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.050 8.250 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.210 10.148 -8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.099 8.820 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.891 9.754 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.284 8.980 -12.112 1.00 0.00 H new ATOM 773 N ARG A 52 -6.885 9.146 -7.241 1.00 0.00 N ATOM 774 CA ARG A 52 -8.292 8.888 -6.959 1.00 0.00 C ATOM 775 C ARG A 52 -8.566 7.388 -6.893 1.00 0.00 C ATOM 776 O ARG A 52 -9.141 6.894 -5.922 1.00 0.00 O ATOM 777 CB ARG A 52 -9.175 9.532 -8.029 1.00 0.00 C ATOM 778 CG ARG A 52 -10.649 9.574 -7.658 1.00 0.00 C ATOM 779 CD ARG A 52 -10.918 10.590 -6.559 1.00 0.00 C ATOM 780 NE ARG A 52 -11.155 11.927 -7.097 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.339 12.347 -7.529 1.00 0.00 C ATOM 782 NH1 ARG A 52 -13.388 11.537 -7.486 1.00 0.00 N ATOM 783 NH2 ARG A 52 -12.475 13.578 -8.005 1.00 0.00 N ATOM 0 H ARG A 52 -6.716 9.665 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.529 9.327 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.826 10.548 -8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.060 8.982 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.240 9.824 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.971 8.586 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.784 10.274 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.069 10.619 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.368 12.574 -7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.286 10.590 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.296 11.861 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.670 14.203 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.385 13.899 -8.336 1.00 0.00 H new ATOM 797 N ARG A 53 -8.151 6.669 -7.931 1.00 0.00 N ATOM 798 CA ARG A 53 -8.354 5.227 -7.991 1.00 0.00 C ATOM 799 C ARG A 53 -7.025 4.498 -8.168 1.00 0.00 C ATOM 800 O ARG A 53 -6.942 3.500 -8.884 1.00 0.00 O ATOM 801 CB ARG A 53 -9.299 4.871 -9.140 1.00 0.00 C ATOM 802 CG ARG A 53 -10.129 3.624 -8.882 1.00 0.00 C ATOM 803 CD ARG A 53 -11.374 3.593 -9.755 1.00 0.00 C ATOM 804 NE ARG A 53 -11.132 2.923 -11.030 1.00 0.00 N ATOM 805 CZ ARG A 53 -10.584 3.521 -12.082 1.00 0.00 C ATOM 806 NH1 ARG A 53 -10.224 4.795 -12.011 1.00 0.00 N ATOM 807 NH2 ARG A 53 -10.396 2.845 -13.208 1.00 0.00 N ATOM 0 H ARG A 53 -7.672 7.062 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.801 4.909 -7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.969 5.712 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.714 4.726 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.525 2.737 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.419 3.589 -7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.177 3.082 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.713 4.612 -9.940 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.398 1.942 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.368 5.318 -11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.803 5.252 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.672 1.865 -13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.975 3.305 -14.015 1.00 0.00 H new ATOM 821 N HIS A 54 -5.986 5.005 -7.510 1.00 0.00 N ATOM 822 CA HIS A 54 -4.661 4.402 -7.594 1.00 0.00 C ATOM 823 C HIS A 54 -3.751 4.936 -6.492 1.00 0.00 C ATOM 824 O HIS A 54 -3.837 6.105 -6.113 1.00 0.00 O ATOM 825 CB HIS A 54 -4.038 4.678 -8.963 1.00 0.00 C ATOM 826 CG HIS A 54 -3.102 3.603 -9.422 1.00 0.00 C ATOM 827 ND1 HIS A 54 -3.362 2.790 -10.505 1.00 0.00 N ATOM 828 CD2 HIS A 54 -1.900 3.210 -8.940 1.00 0.00 C ATOM 829 CE1 HIS A 54 -2.362 1.942 -10.668 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.461 2.177 -9.731 1.00 0.00 N ATOM 0 H HIS A 54 -6.037 5.831 -6.914 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.770 3.325 -7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.834 4.794 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.500 5.625 -8.924 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.382 3.631 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.293 1.186 -11.436 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.582 1.673 -9.614 1.00 0.00 H new ATOM 839 N LEU A 55 -2.880 4.072 -5.981 1.00 0.00 N ATOM 840 CA LEU A 55 -1.954 4.456 -4.921 1.00 0.00 C ATOM 841 C LEU A 55 -0.573 3.855 -5.160 1.00 0.00 C ATOM 842 O LEU A 55 -0.450 2.746 -5.680 1.00 0.00 O ATOM 843 CB LEU A 55 -2.491 4.006 -3.561 1.00 0.00 C ATOM 844 CG LEU A 55 -1.503 4.073 -2.395 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.078 5.511 -2.137 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.116 3.464 -1.142 1.00 0.00 C ATOM 0 H LEU A 55 -2.796 3.102 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.863 5.542 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.357 4.620 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.844 2.979 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.617 3.496 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.375 5.539 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.599 5.915 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.954 6.111 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.400 3.520 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.018 4.014 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.370 2.421 -1.331 1.00 0.00 H new ATOM 858 N ARG A 56 0.463 4.593 -4.775 1.00 0.00 N ATOM 859 CA ARG A 56 1.835 4.132 -4.947 1.00 0.00 C ATOM 860 C ARG A 56 2.687 4.497 -3.735 1.00 0.00 C ATOM 861 O ARG A 56 2.535 5.574 -3.157 1.00 0.00 O ATOM 862 CB ARG A 56 2.444 4.738 -6.213 1.00 0.00 C ATOM 863 CG ARG A 56 3.754 4.089 -6.630 1.00 0.00 C ATOM 864 CD ARG A 56 4.276 4.673 -7.933 1.00 0.00 C ATOM 865 NE ARG A 56 5.670 4.311 -8.175 1.00 0.00 N ATOM 866 CZ ARG A 56 6.430 4.892 -9.097 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.934 5.857 -9.859 1.00 0.00 N ATOM 868 NH2 ARG A 56 7.689 4.507 -9.258 1.00 0.00 N ATOM 0 H ARG A 56 0.378 5.513 -4.342 1.00 0.00 H new ATOM 0 HA ARG A 56 1.818 3.046 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.728 4.648 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.611 5.803 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.497 4.229 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.609 3.015 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.661 4.320 -8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.183 5.759 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 56 6.082 3.572 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.966 6.156 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.520 6.301 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.074 3.765 -8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.272 4.953 -9.966 1.00 0.00 H new ATOM 882 N VAL A 57 3.583 3.592 -3.353 1.00 0.00 N ATOM 883 CA VAL A 57 4.459 3.818 -2.210 1.00 0.00 C ATOM 884 C VAL A 57 5.799 3.116 -2.398 1.00 0.00 C ATOM 885 O VAL A 57 5.867 2.023 -2.957 1.00 0.00 O ATOM 886 CB VAL A 57 3.813 3.326 -0.902 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.757 3.537 0.272 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.487 4.032 -0.664 1.00 0.00 C ATOM 0 H VAL A 57 3.721 2.695 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 57 4.622 4.894 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 57 3.618 2.257 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.283 3.183 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.679 2.981 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.986 4.598 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.045 3.672 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.655 5.107 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.810 3.824 -1.493 1.00 0.00 H new ATOM 898 N GLY A 58 6.867 3.754 -1.926 1.00 0.00 N ATOM 899 CA GLY A 58 8.192 3.176 -2.051 1.00 0.00 C ATOM 900 C GLY A 58 9.291 4.180 -1.768 1.00 0.00 C ATOM 901 O GLY A 58 9.076 5.165 -1.060 1.00 0.00 O ATOM 0 H GLY A 58 6.837 4.661 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.285 2.336 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.318 2.778 -3.058 1.00 0.00 H new ATOM 905 N LEU A 59 10.474 3.931 -2.320 1.00 0.00 N ATOM 906 CA LEU A 59 11.613 4.821 -2.122 1.00 0.00 C ATOM 907 C LEU A 59 12.246 5.200 -3.457 1.00 0.00 C ATOM 908 O LEU A 59 12.232 4.418 -4.408 1.00 0.00 O ATOM 909 CB LEU A 59 12.655 4.155 -1.221 1.00 0.00 C ATOM 910 CG LEU A 59 12.123 3.522 0.065 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.199 2.675 0.727 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.623 4.595 1.021 1.00 0.00 C ATOM 0 H LEU A 59 10.669 3.121 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 59 11.253 5.730 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.165 3.384 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.404 4.900 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 59 11.285 2.874 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.803 2.232 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.509 1.883 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.057 3.302 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.248 4.126 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.442 5.269 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.820 5.160 0.547 1.00 0.00 H new ATOM 924 N LYS A 60 12.804 6.405 -3.520 1.00 0.00 N ATOM 925 CA LYS A 60 13.446 6.888 -4.737 1.00 0.00 C ATOM 926 C LYS A 60 14.402 5.841 -5.300 1.00 0.00 C ATOM 927 O LYS A 60 15.129 5.186 -4.555 1.00 0.00 O ATOM 928 CB LYS A 60 14.204 8.187 -4.456 1.00 0.00 C ATOM 929 CG LYS A 60 14.309 9.103 -5.663 1.00 0.00 C ATOM 930 CD LYS A 60 12.985 9.788 -5.961 1.00 0.00 C ATOM 931 CE LYS A 60 13.175 11.003 -6.855 1.00 0.00 C ATOM 932 NZ LYS A 60 13.783 12.145 -6.118 1.00 0.00 N ATOM 0 H LYS A 60 12.824 7.065 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 60 12.669 7.080 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.705 8.721 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.207 7.944 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.077 9.856 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.625 8.526 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.309 9.082 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.513 10.093 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.810 10.736 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.212 11.307 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.695 13.011 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.290 12.275 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.789 11.948 -5.940 1.00 0.00 H new ATOM 946 N GLY A 61 14.396 5.690 -6.621 1.00 0.00 N ATOM 947 CA GLY A 61 15.268 4.722 -7.261 1.00 0.00 C ATOM 948 C GLY A 61 14.785 3.297 -7.078 1.00 0.00 C ATOM 949 O GLY A 61 14.556 2.584 -8.055 1.00 0.00 O ATOM 0 H GLY A 61 13.803 6.221 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.335 4.946 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.274 4.817 -6.852 1.00 0.00 H new ATOM 953 N GLN A 62 14.632 2.882 -5.825 1.00 0.00 N ATOM 954 CA GLN A 62 14.176 1.531 -5.519 1.00 0.00 C ATOM 955 C GLN A 62 12.753 1.310 -6.022 1.00 0.00 C ATOM 956 O GLN A 62 12.014 2.254 -6.302 1.00 0.00 O ATOM 957 CB GLN A 62 14.242 1.277 -4.012 1.00 0.00 C ATOM 958 CG GLN A 62 15.565 0.684 -3.553 1.00 0.00 C ATOM 959 CD GLN A 62 15.803 0.871 -2.067 1.00 0.00 C ATOM 960 OE1 GLN A 62 15.380 1.867 -1.479 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.482 -0.089 -1.451 1.00 0.00 N ATOM 0 H GLN A 62 14.817 3.461 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 62 14.835 0.828 -6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.072 2.216 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.433 0.603 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.584 -0.380 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.380 1.148 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.814 -0.897 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.672 -0.018 -0.451 1.00 0.00 H new ATOM 970 N PRO A 63 12.359 0.034 -6.141 1.00 0.00 N ATOM 971 CA PRO A 63 11.021 -0.341 -6.610 1.00 0.00 C ATOM 972 C PRO A 63 9.934 0.004 -5.599 1.00 0.00 C ATOM 973 O PRO A 63 10.129 -0.085 -4.386 1.00 0.00 O ATOM 974 CB PRO A 63 11.121 -1.858 -6.792 1.00 0.00 C ATOM 975 CG PRO A 63 12.205 -2.280 -5.861 1.00 0.00 C ATOM 976 CD PRO A 63 13.187 -1.142 -5.825 1.00 0.00 C ATOM 0 HA PRO A 63 10.743 0.194 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.178 -2.349 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.361 -2.118 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.808 -2.484 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.682 -3.196 -6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.659 -1.050 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.986 -1.278 -6.553 1.00 0.00 H new ATOM 984 N PRO A 64 8.759 0.407 -6.106 1.00 0.00 N ATOM 985 CA PRO A 64 7.617 0.773 -5.263 1.00 0.00 C ATOM 986 C PRO A 64 7.009 -0.434 -4.556 1.00 0.00 C ATOM 987 O PRO A 64 6.379 -1.283 -5.186 1.00 0.00 O ATOM 988 CB PRO A 64 6.618 1.369 -6.258 1.00 0.00 C ATOM 989 CG PRO A 64 6.967 0.744 -7.564 1.00 0.00 C ATOM 990 CD PRO A 64 8.456 0.537 -7.541 1.00 0.00 C ATOM 0 HA PRO A 64 7.903 1.457 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.591 1.142 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.704 2.455 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.444 -0.203 -7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.675 1.387 -8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.746 -0.355 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.986 1.378 -7.989 1.00 0.00 H new ATOM 998 N VAL A 65 7.201 -0.503 -3.242 1.00 0.00 N ATOM 999 CA VAL A 65 6.669 -1.605 -2.449 1.00 0.00 C ATOM 1000 C VAL A 65 5.186 -1.818 -2.729 1.00 0.00 C ATOM 1001 O VAL A 65 4.696 -2.947 -2.707 1.00 0.00 O ATOM 1002 CB VAL A 65 6.865 -1.356 -0.941 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.112 -0.110 -0.503 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.418 -2.569 -0.140 1.00 0.00 C ATOM 0 H VAL A 65 7.721 0.191 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 65 7.222 -2.499 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 65 7.926 -1.194 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.262 0.049 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.485 0.753 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.048 -0.238 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.563 -2.377 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.363 -2.764 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.007 -3.437 -0.435 1.00 0.00 H new ATOM 1014 N VAL A 66 4.476 -0.726 -2.994 1.00 0.00 N ATOM 1015 CA VAL A 66 3.048 -0.794 -3.280 1.00 0.00 C ATOM 1016 C VAL A 66 2.704 -0.016 -4.545 1.00 0.00 C ATOM 1017 O VAL A 66 2.892 1.199 -4.609 1.00 0.00 O ATOM 1018 CB VAL A 66 2.214 -0.242 -2.109 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.727 -0.356 -2.412 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.561 -0.970 -0.819 1.00 0.00 C ATOM 0 H VAL A 66 4.866 0.216 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 66 2.804 -1.846 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 66 2.454 0.813 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.153 0.039 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.494 0.214 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.467 -1.403 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.963 -0.567 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.350 -2.033 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.619 -0.832 -0.596 1.00 0.00 H new ATOM 1030 N ASP A 67 2.200 -0.724 -5.550 1.00 0.00 N ATOM 1031 CA ASP A 67 1.828 -0.100 -6.814 1.00 0.00 C ATOM 1032 C ASP A 67 0.744 -0.908 -7.521 1.00 0.00 C ATOM 1033 O ASP A 67 0.991 -2.015 -7.996 1.00 0.00 O ATOM 1034 CB ASP A 67 3.052 0.036 -7.720 1.00 0.00 C ATOM 1035 CG ASP A 67 3.661 -1.306 -8.076 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.999 -2.069 -7.146 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.799 -1.594 -9.283 1.00 0.00 O ATOM 0 H ASP A 67 2.040 -1.731 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 67 1.433 0.893 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.767 0.557 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.802 0.652 -7.223 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.460 -0.346 -7.585 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.564 -1.028 -8.234 1.00 0.00 C ATOM 1044 C GLY A 68 -2.867 -0.264 -8.116 1.00 0.00 C ATOM 1045 O GLY A 68 -3.038 0.548 -7.208 1.00 0.00 O ATOM 0 H GLY A 68 -0.690 0.570 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.327 -1.175 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.685 -2.017 -7.793 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.788 -0.522 -9.039 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.082 0.151 -9.036 1.00 0.00 C ATOM 1051 C GLU A 69 -5.807 -0.071 -7.712 1.00 0.00 C ATOM 1052 O GLU A 69 -5.916 -1.201 -7.232 1.00 0.00 O ATOM 1053 CB GLU A 69 -5.946 -0.353 -10.194 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.335 0.263 -10.230 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.186 -0.281 -11.360 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.908 0.061 -12.529 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.129 -1.048 -11.077 1.00 0.00 O ATOM 0 H GLU A 69 -3.662 -1.192 -9.798 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.908 1.220 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.438 -0.139 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.040 -1.437 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.836 0.075 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.246 1.344 -10.335 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.301 1.014 -7.126 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.016 0.939 -5.856 1.00 0.00 C ATOM 1066 C LEU A 70 -8.368 0.255 -6.032 1.00 0.00 C ATOM 1067 O LEU A 70 -9.118 0.568 -6.957 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.212 2.341 -5.276 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.007 2.943 -4.552 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.222 4.427 -4.301 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.751 2.210 -3.244 1.00 0.00 C ATOM 0 H LEU A 70 -6.220 1.956 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.418 0.346 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.495 3.012 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.050 2.311 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.129 2.827 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.354 4.838 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.356 4.941 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.110 4.567 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.890 2.651 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.628 2.294 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.551 1.158 -3.449 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.673 -0.678 -5.137 1.00 0.00 N ATOM 1084 CA TYR A 71 -9.935 -1.407 -5.194 1.00 0.00 C ATOM 1085 C TYR A 71 -11.099 -0.460 -5.470 1.00 0.00 C ATOM 1086 O TYR A 71 -11.979 -0.759 -6.276 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.174 -2.157 -3.882 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.589 -2.665 -3.724 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.094 -3.646 -4.569 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.421 -2.166 -2.729 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.387 -4.112 -4.429 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -13.714 -2.627 -2.581 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.193 -3.601 -3.433 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.480 -4.064 -3.289 1.00 0.00 O ATOM 0 H TYR A 71 -8.064 -0.947 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.874 -2.126 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.486 -3.000 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.939 -1.496 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.465 -4.051 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.050 -1.404 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.765 -4.873 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.347 -2.227 -1.803 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.500 -4.770 -2.609 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.095 0.685 -4.795 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.150 1.677 -4.967 1.00 0.00 C ATOM 1106 C ASN A 72 -11.576 3.090 -4.947 1.00 0.00 C ATOM 1107 O ASN A 72 -10.404 3.290 -4.631 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.204 1.527 -3.868 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.519 2.189 -4.233 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -14.935 2.170 -5.392 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.179 2.779 -3.244 1.00 0.00 N ATOM 0 H ASN A 72 -10.373 0.949 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.619 1.508 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.375 0.468 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.825 1.963 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.069 3.241 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.796 2.770 -2.299 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.411 4.067 -5.286 1.00 0.00 N ATOM 1119 CA GLU A 73 -11.986 5.462 -5.307 1.00 0.00 C ATOM 1120 C GLU A 73 -11.739 5.977 -3.892 1.00 0.00 C ATOM 1121 O GLU A 73 -12.405 5.563 -2.944 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.039 6.329 -6.000 1.00 0.00 C ATOM 1123 CG GLU A 73 -12.888 6.380 -7.511 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.400 7.677 -8.106 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.256 8.324 -7.467 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -12.947 8.045 -9.210 1.00 0.00 O ATOM 0 H GLU A 73 -13.385 3.919 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.052 5.522 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.030 5.947 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.981 7.343 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.837 6.255 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.428 5.543 -7.955 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.775 6.882 -3.758 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.438 7.455 -2.460 1.00 0.00 C ATOM 1135 C VAL A 74 -10.139 8.945 -2.578 1.00 0.00 C ATOM 1136 O VAL A 74 -9.277 9.358 -3.354 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.223 6.747 -1.832 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.470 5.249 -1.735 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -7.964 7.037 -2.635 1.00 0.00 C ATOM 0 H VAL A 74 -10.213 7.235 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.306 7.311 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.080 7.134 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.601 4.765 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.347 5.064 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.639 4.843 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.115 6.529 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.093 6.679 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.780 8.111 -2.648 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.857 9.750 -1.802 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.669 11.196 -1.816 1.00 0.00 C ATOM 1151 C LYS A 75 -9.186 11.551 -1.778 1.00 0.00 C ATOM 1152 O LYS A 75 -8.579 11.613 -0.709 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.388 11.836 -0.626 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.894 13.241 -0.906 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.020 13.626 0.039 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.501 15.046 -0.217 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.054 15.675 1.015 1.00 0.00 N ATOM 0 H LYS A 75 -11.575 9.425 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.095 11.584 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.230 11.206 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.708 11.866 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.073 13.951 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.245 13.304 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.851 12.932 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.678 13.537 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.673 15.648 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.265 15.036 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.803 16.348 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.450 14.938 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.296 16.178 1.518 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.608 11.786 -2.952 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.197 12.138 -3.053 1.00 0.00 C ATOM 1173 C VAL A 76 -6.946 13.553 -2.545 1.00 0.00 C ATOM 1174 O VAL A 76 -5.942 13.817 -1.884 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.694 12.030 -4.505 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.537 12.896 -5.429 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.226 12.418 -4.590 1.00 0.00 C ATOM 0 H VAL A 76 -9.096 11.739 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.649 11.429 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.792 10.994 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.166 12.806 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.575 12.566 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.474 13.936 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.887 12.336 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.101 13.445 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.636 11.751 -3.961 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.866 14.461 -2.857 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.744 15.850 -2.431 1.00 0.00 C ATOM 1189 C GLU A 77 -7.641 15.946 -0.911 1.00 0.00 C ATOM 1190 O GLU A 77 -7.120 16.923 -0.375 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.941 16.665 -2.924 1.00 0.00 C ATOM 1192 CG GLU A 77 -10.284 16.031 -2.602 1.00 0.00 C ATOM 1193 CD GLU A 77 -11.342 16.346 -3.641 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.593 17.544 -3.889 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.920 15.394 -4.206 1.00 0.00 O ATOM 0 H GLU A 77 -8.704 14.259 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.832 16.258 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.902 17.659 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.860 16.797 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.163 14.950 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.622 16.381 -1.627 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.141 14.924 -0.224 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.107 14.894 1.233 1.00 0.00 C ATOM 1204 C GLU A 78 -7.029 13.936 1.732 1.00 0.00 C ATOM 1205 O GLU A 78 -6.330 14.222 2.704 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.471 14.479 1.790 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.413 15.648 2.024 1.00 0.00 C ATOM 1208 CD GLU A 78 -10.042 16.459 3.251 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.329 15.997 4.376 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.466 17.554 3.087 1.00 0.00 O ATOM 0 H GLU A 78 -8.574 14.106 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.869 15.898 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.939 13.779 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.324 13.948 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.406 16.297 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.431 15.273 2.135 1.00 0.00 H new ATOM 1217 N SER A 79 -6.902 12.796 1.060 1.00 0.00 N ATOM 1218 CA SER A 79 -5.913 11.793 1.437 1.00 0.00 C ATOM 1219 C SER A 79 -4.539 12.428 1.625 1.00 0.00 C ATOM 1220 O SER A 79 -4.209 13.424 0.980 1.00 0.00 O ATOM 1221 CB SER A 79 -5.838 10.695 0.374 1.00 0.00 C ATOM 1222 OG SER A 79 -6.857 9.729 0.566 1.00 0.00 O ATOM 0 H SER A 79 -7.471 12.544 0.252 1.00 0.00 H new ATOM 0 HA SER A 79 -6.223 11.352 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.934 11.137 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.862 10.212 0.414 1.00 0.00 H new ATOM 0 HG SER A 79 -7.703 10.070 0.207 1.00 0.00 H new ATOM 1228 N SER A 80 -3.741 11.845 2.514 1.00 0.00 N ATOM 1229 CA SER A 80 -2.403 12.356 2.791 1.00 0.00 C ATOM 1230 C SER A 80 -1.597 11.351 3.610 1.00 0.00 C ATOM 1231 O SER A 80 -2.150 10.616 4.429 1.00 0.00 O ATOM 1232 CB SER A 80 -2.488 13.688 3.537 1.00 0.00 C ATOM 1233 OG SER A 80 -2.972 13.505 4.856 1.00 0.00 O ATOM 0 H SER A 80 -3.997 11.019 3.055 1.00 0.00 H new ATOM 0 HA SER A 80 -1.896 12.513 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.503 14.154 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.145 14.369 2.997 1.00 0.00 H new ATOM 0 HG SER A 80 -3.015 14.371 5.312 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.289 11.327 3.383 1.00 0.00 N ATOM 1240 CA TRP A 81 0.594 10.414 4.100 1.00 0.00 C ATOM 1241 C TRP A 81 1.585 11.182 4.966 1.00 0.00 C ATOM 1242 O TRP A 81 1.676 12.408 4.885 1.00 0.00 O ATOM 1243 CB TRP A 81 1.347 9.520 3.112 1.00 0.00 C ATOM 1244 CG TRP A 81 2.211 10.287 2.157 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.800 10.974 1.051 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.633 10.442 2.224 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.881 11.547 0.425 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.017 11.236 1.126 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.618 9.988 3.104 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.343 11.584 0.887 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.935 10.334 2.866 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.288 11.126 1.765 1.00 0.00 C ATOM 0 H TRP A 81 0.184 11.929 2.709 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.020 9.790 4.750 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.968 8.818 3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.627 8.930 2.546 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.776 11.055 0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.844 12.112 -0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.355 9.377 3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.617 12.194 0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.705 9.988 3.540 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.326 11.380 1.606 1.00 0.00 H new ATOM 1263 N LEU A 82 2.326 10.456 5.796 1.00 0.00 N ATOM 1264 CA LEU A 82 3.312 11.071 6.679 1.00 0.00 C ATOM 1265 C LEU A 82 4.337 10.044 7.148 1.00 0.00 C ATOM 1266 O LEU A 82 3.995 8.894 7.427 1.00 0.00 O ATOM 1267 CB LEU A 82 2.619 11.706 7.885 1.00 0.00 C ATOM 1268 CG LEU A 82 2.286 10.762 9.041 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.441 10.699 10.029 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.008 11.205 9.740 1.00 0.00 C ATOM 0 H LEU A 82 2.263 9.441 5.876 1.00 0.00 H new ATOM 0 HA LEU A 82 3.833 11.847 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.256 12.504 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.694 12.171 7.544 1.00 0.00 H new ATOM 0 HG LEU A 82 2.127 9.763 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.186 10.022 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.334 10.335 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.632 11.695 10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.786 10.522 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.139 12.213 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.183 11.198 9.028 1.00 0.00 H new ATOM 1282 N ILE A 83 5.593 10.467 7.237 1.00 0.00 N ATOM 1283 CA ILE A 83 6.667 9.585 7.676 1.00 0.00 C ATOM 1284 C ILE A 83 6.637 9.394 9.189 1.00 0.00 C ATOM 1285 O ILE A 83 6.621 10.364 9.946 1.00 0.00 O ATOM 1286 CB ILE A 83 8.048 10.131 7.267 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.163 10.195 5.742 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.154 9.267 7.852 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.390 10.937 5.260 1.00 0.00 C ATOM 0 H ILE A 83 5.892 11.416 7.011 1.00 0.00 H new ATOM 0 HA ILE A 83 6.506 8.624 7.187 1.00 0.00 H new ATOM 0 HB ILE A 83 8.156 11.141 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.182 9.180 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.274 10.679 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.124 9.666 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.080 9.268 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.052 8.247 7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.407 10.943 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.363 11.963 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.286 10.441 5.634 1.00 0.00 H new ATOM 1301 N GLU A 84 6.631 8.137 9.621 1.00 0.00 N ATOM 1302 CA GLU A 84 6.603 7.819 11.044 1.00 0.00 C ATOM 1303 C GLU A 84 7.972 7.341 11.521 1.00 0.00 C ATOM 1304 O GLU A 84 8.527 6.381 10.986 1.00 0.00 O ATOM 1305 CB GLU A 84 5.549 6.748 11.330 1.00 0.00 C ATOM 1306 CG GLU A 84 4.174 7.315 11.642 1.00 0.00 C ATOM 1307 CD GLU A 84 4.194 8.286 12.806 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.925 8.025 13.784 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.478 9.307 12.738 1.00 0.00 O ATOM 0 H GLU A 84 6.645 7.323 9.007 1.00 0.00 H new ATOM 0 HA GLU A 84 6.344 8.727 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.473 6.086 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.881 6.139 12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.785 7.821 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.490 6.497 11.868 1.00 0.00 H new ATOM 1316 N ASP A 85 8.510 8.019 12.529 1.00 0.00 N ATOM 1317 CA ASP A 85 9.813 7.664 13.079 1.00 0.00 C ATOM 1318 C ASP A 85 10.824 7.415 11.964 1.00 0.00 C ATOM 1319 O ASP A 85 11.700 6.560 12.086 1.00 0.00 O ATOM 1320 CB ASP A 85 9.696 6.423 13.965 1.00 0.00 C ATOM 1321 CG ASP A 85 9.049 6.724 15.302 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.537 7.633 16.006 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.054 6.053 15.644 1.00 0.00 O ATOM 0 H ASP A 85 8.064 8.817 12.982 1.00 0.00 H new ATOM 0 HA ASP A 85 10.164 8.500 13.684 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.112 5.663 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.689 6.004 14.131 1.00 0.00 H new ATOM 1328 N GLY A 86 10.696 8.169 10.876 1.00 0.00 N ATOM 1329 CA GLY A 86 11.604 8.014 9.755 1.00 0.00 C ATOM 1330 C GLY A 86 11.933 6.562 9.472 1.00 0.00 C ATOM 1331 O GLY A 86 13.009 6.249 8.961 1.00 0.00 O ATOM 0 H GLY A 86 9.980 8.884 10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.159 8.462 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.526 8.559 9.960 1.00 0.00 H new ATOM 1335 N LYS A 87 11.006 5.671 9.806 1.00 0.00 N ATOM 1336 CA LYS A 87 11.201 4.243 9.585 1.00 0.00 C ATOM 1337 C LYS A 87 10.006 3.636 8.859 1.00 0.00 C ATOM 1338 O LYS A 87 10.143 2.653 8.130 1.00 0.00 O ATOM 1339 CB LYS A 87 11.419 3.525 10.919 1.00 0.00 C ATOM 1340 CG LYS A 87 10.395 3.888 11.980 1.00 0.00 C ATOM 1341 CD LYS A 87 10.879 3.521 13.372 1.00 0.00 C ATOM 1342 CE LYS A 87 10.743 2.029 13.635 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.267 1.652 14.977 1.00 0.00 N ATOM 0 H LYS A 87 10.111 5.913 10.231 1.00 0.00 H new ATOM 0 HA LYS A 87 12.086 4.115 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.390 2.448 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.415 3.763 11.291 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.188 4.957 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.457 3.373 11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.922 3.818 13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.307 4.076 14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.694 1.741 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.281 1.474 12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.156 0.628 15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.274 1.903 15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.737 2.162 15.712 1.00 0.00 H new ATOM 1357 N VAL A 88 8.833 4.228 9.061 1.00 0.00 N ATOM 1358 CA VAL A 88 7.613 3.746 8.423 1.00 0.00 C ATOM 1359 C VAL A 88 6.930 4.858 7.635 1.00 0.00 C ATOM 1360 O VAL A 88 7.127 6.042 7.912 1.00 0.00 O ATOM 1361 CB VAL A 88 6.623 3.182 9.458 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.423 2.556 8.764 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.314 2.171 10.361 1.00 0.00 C ATOM 0 H VAL A 88 8.702 5.042 9.661 1.00 0.00 H new ATOM 0 HA VAL A 88 7.906 2.948 7.741 1.00 0.00 H new ATOM 0 HB VAL A 88 6.266 4.004 10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.734 2.163 9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.915 3.311 8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.759 1.745 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.599 1.783 11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.701 1.350 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.137 2.655 10.886 1.00 0.00 H new ATOM 1373 N VAL A 89 6.124 4.470 6.651 1.00 0.00 N ATOM 1374 CA VAL A 89 5.409 5.434 5.823 1.00 0.00 C ATOM 1375 C VAL A 89 3.906 5.185 5.864 1.00 0.00 C ATOM 1376 O VAL A 89 3.386 4.334 5.142 1.00 0.00 O ATOM 1377 CB VAL A 89 5.888 5.382 4.360 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.003 6.249 3.478 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.343 5.814 4.260 1.00 0.00 C ATOM 0 H VAL A 89 5.950 3.495 6.408 1.00 0.00 H new ATOM 0 HA VAL A 89 5.622 6.422 6.232 1.00 0.00 H new ATOM 0 HB VAL A 89 5.814 4.353 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.356 6.200 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.976 5.888 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.042 7.281 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.665 5.771 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.446 6.834 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.963 5.147 4.859 1.00 0.00 H new ATOM 1389 N THR A 90 3.210 5.934 6.714 1.00 0.00 N ATOM 1390 CA THR A 90 1.766 5.795 6.851 1.00 0.00 C ATOM 1391 C THR A 90 1.032 6.629 5.807 1.00 0.00 C ATOM 1392 O THR A 90 1.380 7.785 5.565 1.00 0.00 O ATOM 1393 CB THR A 90 1.291 6.215 8.254 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.632 7.584 8.497 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.917 5.334 9.324 1.00 0.00 C ATOM 0 H THR A 90 3.624 6.644 7.318 1.00 0.00 H new ATOM 0 HA THR A 90 1.534 4.741 6.698 1.00 0.00 H new ATOM 0 HB THR A 90 0.208 6.097 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.375 7.845 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.566 5.650 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.632 4.296 9.153 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.002 5.424 9.280 1.00 0.00 H new ATOM 1403 N VAL A 91 0.014 6.037 5.191 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.771 6.726 4.174 1.00 0.00 C ATOM 1405 C VAL A 91 -2.262 6.647 4.483 1.00 0.00 C ATOM 1406 O VAL A 91 -2.865 5.575 4.412 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.515 6.139 2.774 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.267 6.932 1.716 1.00 0.00 C ATOM 1409 CG2 VAL A 91 0.976 6.112 2.472 1.00 0.00 C ATOM 0 H VAL A 91 -0.287 5.081 5.379 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.456 7.770 4.184 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.885 5.114 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.074 6.502 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.336 6.894 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.931 7.969 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.138 5.694 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.373 7.126 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.486 5.496 3.213 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.852 7.788 4.825 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.274 7.848 5.143 1.00 0.00 C ATOM 1421 C HIS A 92 -5.110 7.982 3.874 1.00 0.00 C ATOM 1422 O HIS A 92 -4.989 8.964 3.140 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.559 9.020 6.082 1.00 0.00 C ATOM 1424 CG HIS A 92 -6.003 9.416 6.124 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.838 9.107 7.177 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.758 10.103 5.236 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.045 9.584 6.933 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -8.024 10.194 5.762 1.00 0.00 N ATOM 0 H HIS A 92 -2.367 8.683 4.889 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.549 6.918 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.234 8.756 7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.964 9.878 5.769 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.427 10.505 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.904 9.491 7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.818 10.657 5.320 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.955 6.990 3.620 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.811 6.996 2.439 1.00 0.00 C ATOM 1439 C LEU A 93 -8.272 7.200 2.826 1.00 0.00 C ATOM 1440 O LEU A 93 -8.858 6.375 3.527 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.654 5.687 1.664 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.336 5.507 0.909 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.119 4.044 0.556 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.318 6.370 -0.345 1.00 0.00 C ATOM 0 H LEU A 93 -6.066 6.170 4.217 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.504 7.826 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.765 4.859 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.473 5.611 0.948 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.520 5.827 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.177 3.935 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.087 3.450 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.938 3.696 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.373 6.230 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.142 6.081 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.426 7.418 -0.067 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.854 8.301 2.363 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.248 8.611 2.660 1.00 0.00 C ATOM 1458 C GLU A 94 -11.184 7.889 1.695 1.00 0.00 C ATOM 1459 O GLU A 94 -11.098 8.066 0.479 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.485 10.121 2.585 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.820 10.557 3.166 1.00 0.00 C ATOM 1462 CD GLU A 94 -11.743 10.845 4.652 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -11.093 10.060 5.375 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.332 11.853 5.093 1.00 0.00 O ATOM 0 H GLU A 94 -8.383 8.993 1.781 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.462 8.267 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.683 10.633 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.431 10.438 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.165 11.450 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.561 9.778 2.989 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.077 7.074 2.245 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.030 6.324 1.435 1.00 0.00 C ATOM 1473 C LYS A 95 -14.162 7.226 0.953 1.00 0.00 C ATOM 1474 O LYS A 95 -14.923 7.766 1.757 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.603 5.154 2.237 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.681 3.948 2.296 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.381 2.739 2.893 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.388 1.771 3.517 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.067 0.592 4.122 1.00 0.00 N ATOM 0 H LYS A 95 -12.161 6.916 3.249 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.502 5.935 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.814 5.489 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.553 4.853 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.330 3.708 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.801 4.191 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.095 3.067 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.951 2.227 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.683 1.434 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.809 2.288 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.514 -0.266 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.143 0.725 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.019 0.492 3.714 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.268 7.384 -0.362 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.309 8.218 -0.949 1.00 0.00 C ATOM 1495 C ILE A 96 -16.666 7.933 -0.314 1.00 0.00 C ATOM 1496 O ILE A 96 -17.463 8.843 -0.095 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.412 8.002 -2.471 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.105 8.408 -3.155 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.581 8.792 -3.040 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.854 9.900 -3.142 1.00 0.00 C ATOM 0 H ILE A 96 -13.646 6.945 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.030 9.254 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.587 6.943 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.274 7.904 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.121 8.059 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.641 8.629 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.507 8.460 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.434 9.854 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.910 10.115 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.665 10.410 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.805 10.252 -2.111 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.920 6.662 -0.019 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.180 6.256 0.593 1.00 0.00 C ATOM 1514 C ASN A 97 -17.941 5.612 1.955 1.00 0.00 C ATOM 1515 O ASN A 97 -17.940 4.387 2.083 1.00 0.00 O ATOM 1516 CB ASN A 97 -18.925 5.282 -0.322 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.678 5.991 -1.430 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -19.137 6.232 -2.509 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.936 6.329 -1.168 1.00 0.00 N ATOM 0 H ASN A 97 -16.270 5.896 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.790 7.148 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.213 4.583 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.625 4.694 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.493 6.808 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -21.344 6.109 -0.259 1.00 0.00 H new ATOM 1526 N LYS A 98 -17.739 6.444 2.970 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.500 5.957 4.324 1.00 0.00 C ATOM 1528 C LYS A 98 -18.439 4.803 4.660 1.00 0.00 C ATOM 1529 O LYS A 98 -18.114 3.946 5.481 1.00 0.00 O ATOM 1530 CB LYS A 98 -17.685 7.091 5.335 1.00 0.00 C ATOM 1531 CG LYS A 98 -16.508 8.048 5.398 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.795 9.226 6.314 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.851 10.387 6.042 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.701 11.271 7.231 1.00 0.00 N ATOM 0 H LYS A 98 -17.736 7.460 2.881 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.474 5.594 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.584 7.651 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.847 6.662 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.625 7.517 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.280 8.412 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.825 9.553 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.697 8.912 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.874 10.000 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.226 10.970 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.050 12.050 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.629 11.661 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.319 10.721 8.027 1.00 0.00 H new ATOM 1548 N MET A 99 -19.603 4.787 4.019 1.00 0.00 N ATOM 1549 CA MET A 99 -20.588 3.736 4.250 1.00 0.00 C ATOM 1550 C MET A 99 -20.316 2.532 3.353 1.00 0.00 C ATOM 1551 O MET A 99 -21.236 1.802 2.985 1.00 0.00 O ATOM 1552 CB MET A 99 -22.000 4.267 3.997 1.00 0.00 C ATOM 1553 CG MET A 99 -22.532 5.140 5.122 1.00 0.00 C ATOM 1554 SD MET A 99 -23.267 4.178 6.459 1.00 0.00 S ATOM 1555 CE MET A 99 -22.204 4.632 7.827 1.00 0.00 C ATOM 0 H MET A 99 -19.887 5.489 3.336 1.00 0.00 H new ATOM 0 HA MET A 99 -20.509 3.418 5.290 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.003 4.841 3.070 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.676 3.424 3.852 1.00 0.00 H new ATOM 0 HG2 MET A 99 -21.719 5.747 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.277 5.827 4.722 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.532 4.116 8.729 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.177 4.348 7.599 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.256 5.709 7.986 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.049 2.331 3.007 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.658 1.216 2.153 1.00 0.00 C ATOM 1567 C GLU A 100 -17.387 0.551 2.673 1.00 0.00 C ATOM 1568 O GLU A 100 -16.516 1.211 3.238 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.445 1.695 0.715 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.980 0.599 -0.229 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.134 -0.156 -0.859 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -20.002 -0.647 -0.107 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.170 -0.257 -2.103 1.00 0.00 O ATOM 0 H GLU A 100 -18.276 2.926 3.305 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.463 0.482 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.378 2.115 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.710 2.500 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.366 1.038 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.347 -0.101 0.317 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.290 -0.759 2.478 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.126 -1.514 2.928 1.00 0.00 C ATOM 1582 C TRP A 101 -15.172 -1.785 1.770 1.00 0.00 C ATOM 1583 O TRP A 101 -15.496 -1.520 0.613 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.563 -2.834 3.565 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.092 -2.676 4.958 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.403 -2.581 5.332 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.323 -2.591 6.162 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.494 -2.443 6.696 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.232 -2.446 7.228 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.954 -2.624 6.444 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.815 -2.335 8.552 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.542 -2.514 7.758 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.469 -2.371 8.799 1.00 0.00 C ATOM 0 H TRP A 101 -18.003 -1.320 2.012 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.602 -0.916 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.331 -3.293 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.715 -3.519 3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.244 -2.610 4.655 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.361 -2.353 7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.231 -2.734 5.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.528 -2.224 9.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.487 -2.539 7.987 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -15.115 -2.288 9.816 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.997 -2.316 2.089 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.996 -2.623 1.073 1.00 0.00 C ATOM 1606 C TRP A 102 -12.580 -4.088 1.145 1.00 0.00 C ATOM 1607 O TRP A 102 -12.482 -4.662 2.229 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.772 -1.722 1.246 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.920 -0.385 0.585 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.036 0.402 0.569 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.919 0.319 -0.158 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.789 1.554 -0.139 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.497 1.527 -0.594 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.590 0.048 -0.495 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.791 2.460 -1.350 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.891 0.974 -1.246 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.492 2.168 -1.666 1.00 0.00 C ATOM 0 H TRP A 102 -13.714 -2.543 3.042 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.438 -2.438 0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.586 -1.575 2.310 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.897 -2.227 0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.975 0.155 1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.459 2.306 -0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.118 -0.869 -0.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.252 3.381 -1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.864 0.774 -1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.919 2.872 -2.251 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.336 -4.687 -0.016 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.929 -6.086 -0.083 1.00 0.00 C ATOM 1630 C ASN A 103 -10.412 -6.217 0.003 1.00 0.00 C ATOM 1631 O ASN A 103 -9.890 -7.263 0.387 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.435 -6.723 -1.380 1.00 0.00 C ATOM 1633 CG ASN A 103 -13.926 -6.997 -1.346 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -14.724 -6.110 -1.044 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.308 -8.230 -1.657 1.00 0.00 N ATOM 0 H ASN A 103 -12.413 -4.226 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.369 -6.608 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.209 -6.064 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.901 -7.657 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.298 -8.474 -1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.611 -8.934 -1.901 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.710 -5.147 -0.356 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.252 -5.142 -0.320 1.00 0.00 C ATOM 1644 C ARG A 104 -7.706 -3.744 -0.597 1.00 0.00 C ATOM 1645 O ARG A 104 -8.451 -2.839 -0.978 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.692 -6.132 -1.343 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.002 -5.760 -2.784 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.704 -6.910 -3.733 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.528 -6.853 -4.937 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.413 -7.709 -5.947 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.514 -8.682 -5.897 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.200 -7.593 -7.009 1.00 0.00 N ATOM 0 H ARG A 104 -10.127 -4.273 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.937 -5.445 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.611 -6.198 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.098 -7.123 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.051 -5.478 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.413 -4.889 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.651 -6.885 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.876 -7.857 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.230 -6.116 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.908 -8.775 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.428 -9.337 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.894 -6.846 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.111 -8.250 -7.784 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.403 -3.574 -0.403 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.757 -2.287 -0.631 1.00 0.00 C ATOM 1668 C LEU A 105 -5.683 -1.971 -2.122 1.00 0.00 C ATOM 1669 O LEU A 105 -6.001 -0.862 -2.549 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.351 -2.285 -0.028 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.558 -0.987 -0.177 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.319 0.178 0.437 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.184 -1.125 0.462 1.00 0.00 C ATOM 0 H LEU A 105 -5.773 -4.312 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.356 -1.517 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.433 -2.517 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.779 -3.091 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.424 -0.786 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.739 1.093 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.279 0.291 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.485 -0.014 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.633 -0.191 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.297 -1.351 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.636 -1.932 -0.024 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.262 -2.956 -2.910 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.150 -2.785 -4.353 1.00 0.00 C ATOM 1687 C VAL A 106 -5.377 -4.105 -5.082 1.00 0.00 C ATOM 1688 O VAL A 106 -5.329 -5.177 -4.479 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.770 -2.225 -4.746 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.669 -0.751 -4.383 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.661 -3.024 -4.078 1.00 0.00 C ATOM 0 H VAL A 106 -4.993 -3.880 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.921 -2.073 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.654 -2.318 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.687 -0.373 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.441 -0.192 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.806 -0.631 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.693 -2.615 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.772 -2.965 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.723 -4.066 -4.393 1.00 0.00 H new ATOM 1701 N THR A 107 -5.624 -4.019 -6.386 1.00 0.00 N ATOM 1702 CA THR A 107 -5.859 -5.206 -7.198 1.00 0.00 C ATOM 1703 C THR A 107 -4.718 -6.207 -7.054 1.00 0.00 C ATOM 1704 O THR A 107 -4.928 -7.417 -7.125 1.00 0.00 O ATOM 1705 CB THR A 107 -6.024 -4.845 -8.687 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.851 -4.175 -9.161 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.241 -3.956 -8.896 1.00 0.00 C ATOM 0 H THR A 107 -5.666 -3.140 -6.901 1.00 0.00 H new ATOM 0 HA THR A 107 -6.783 -5.657 -6.836 1.00 0.00 H new ATOM 0 HB THR A 107 -6.167 -5.768 -9.249 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.963 -3.950 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.337 -3.714 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.136 -4.480 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.123 -3.036 -8.323 1.00 0.00 H new ATOM 1715 N SER A 108 -3.509 -5.693 -6.849 1.00 0.00 N ATOM 1716 CA SER A 108 -2.334 -6.542 -6.698 1.00 0.00 C ATOM 1717 C SER A 108 -2.222 -7.065 -5.269 1.00 0.00 C ATOM 1718 O SER A 108 -1.131 -7.131 -4.704 1.00 0.00 O ATOM 1719 CB SER A 108 -1.068 -5.768 -7.069 1.00 0.00 C ATOM 1720 OG SER A 108 -0.695 -4.873 -6.036 1.00 0.00 O ATOM 0 H SER A 108 -3.318 -4.693 -6.784 1.00 0.00 H new ATOM 0 HA SER A 108 -2.442 -7.392 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.254 -6.467 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.235 -5.213 -7.992 1.00 0.00 H new ATOM 0 HG SER A 108 -0.495 -5.379 -5.221 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.359 -7.436 -4.691 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.391 -7.955 -3.328 1.00 0.00 C ATOM 1728 C ASP A 109 -4.490 -9.001 -3.171 1.00 0.00 C ATOM 1729 O ASP A 109 -5.438 -9.064 -3.954 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.608 -6.815 -2.331 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.304 -6.208 -1.853 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.257 -6.876 -1.982 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.330 -5.065 -1.350 1.00 0.00 O ATOM 0 H ASP A 109 -4.271 -7.387 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.431 -8.429 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.217 -6.040 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.168 -7.188 -1.473 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.362 -9.843 -2.135 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.334 -10.903 -1.851 1.00 0.00 C ATOM 1740 C PRO A 110 -6.668 -10.349 -1.362 1.00 0.00 C ATOM 1741 O PRO A 110 -6.711 -9.336 -0.665 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.657 -11.719 -0.747 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.729 -10.761 -0.082 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.257 -9.825 -1.161 1.00 0.00 C ATOM 0 HA PRO A 110 -5.576 -11.484 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.388 -12.115 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.117 -12.571 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.236 -10.215 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.889 -11.285 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.079 -8.822 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.322 -10.165 -1.607 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.754 -11.022 -1.731 1.00 0.00 N ATOM 1753 CA GLU A 111 -9.089 -10.595 -1.329 1.00 0.00 C ATOM 1754 C GLU A 111 -9.466 -11.191 0.025 1.00 0.00 C ATOM 1755 O GLU A 111 -9.139 -12.340 0.322 1.00 0.00 O ATOM 1756 CB GLU A 111 -10.119 -11.007 -2.384 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.954 -10.283 -3.710 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.699 -10.964 -4.842 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -10.425 -12.155 -5.100 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -11.554 -10.306 -5.469 1.00 0.00 O ATOM 0 H GLU A 111 -7.735 -11.864 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.084 -9.509 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.043 -12.081 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.120 -10.815 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.313 -9.259 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.894 -10.226 -3.959 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.154 -10.400 0.841 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.575 -10.848 2.163 1.00 0.00 C ATOM 1769 C ILE A 112 -12.081 -10.689 2.342 1.00 0.00 C ATOM 1770 O ILE A 112 -12.652 -9.654 2.001 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.852 -10.070 3.278 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.852 -8.572 2.968 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.429 -10.583 3.444 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.619 -7.703 4.184 1.00 0.00 C ATOM 0 H ILE A 112 -10.432 -9.446 0.610 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.311 -11.903 2.238 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.386 -10.227 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.079 -8.362 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.807 -8.303 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.931 -10.024 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.452 -11.641 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.884 -10.453 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.632 -6.654 3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.406 -7.884 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.651 -7.944 4.624 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.719 -11.723 2.882 1.00 0.00 N ATOM 1787 CA ASN A 113 -14.160 -11.698 3.109 1.00 0.00 C ATOM 1788 C ASN A 113 -14.558 -10.486 3.944 1.00 0.00 C ATOM 1789 O ASN A 113 -14.044 -10.279 5.044 1.00 0.00 O ATOM 1790 CB ASN A 113 -14.609 -12.983 3.807 1.00 0.00 C ATOM 1791 CG ASN A 113 -16.108 -13.194 3.721 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.639 -13.534 2.663 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -16.799 -12.992 4.837 1.00 0.00 N ATOM 0 H ASN A 113 -12.261 -12.588 3.170 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.655 -11.627 2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -14.099 -13.835 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.309 -12.948 4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.811 -13.118 4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.318 -12.711 5.691 1.00 0.00 H new ATOM 1800 N THR A 114 -15.479 -9.686 3.415 1.00 0.00 N ATOM 1801 CA THR A 114 -15.947 -8.494 4.111 1.00 0.00 C ATOM 1802 C THR A 114 -17.391 -8.656 4.570 1.00 0.00 C ATOM 1803 O THR A 114 -18.310 -8.718 3.753 1.00 0.00 O ATOM 1804 CB THR A 114 -15.841 -7.244 3.217 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.570 -7.449 2.001 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.388 -6.928 2.897 1.00 0.00 C ATOM 0 H THR A 114 -15.915 -9.842 2.506 1.00 0.00 H new ATOM 0 HA THR A 114 -15.305 -8.364 4.982 1.00 0.00 H new ATOM 0 HB THR A 114 -16.268 -6.400 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 114 -17.401 -7.931 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.339 -6.041 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.843 -6.744 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.939 -7.772 2.374 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.586 -8.723 5.883 1.00 0.00 N ATOM 1815 CA LYS A 115 -18.920 -8.876 6.452 1.00 0.00 C ATOM 1816 C LYS A 115 -19.709 -7.575 6.347 1.00 0.00 C ATOM 1817 O LYS A 115 -19.390 -6.589 7.012 1.00 0.00 O ATOM 1818 CB LYS A 115 -18.825 -9.311 7.916 1.00 0.00 C ATOM 1819 CG LYS A 115 -20.109 -9.918 8.455 1.00 0.00 C ATOM 1820 CD LYS A 115 -19.839 -10.836 9.635 1.00 0.00 C ATOM 1821 CE LYS A 115 -19.501 -10.046 10.890 1.00 0.00 C ATOM 1822 NZ LYS A 115 -20.723 -9.674 11.657 1.00 0.00 N ATOM 0 H LYS A 115 -16.837 -8.674 6.573 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.444 -9.645 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.019 -10.037 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.557 -8.448 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.789 -9.122 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.608 -10.478 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.714 -11.459 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.015 -11.508 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.840 -10.637 11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.956 -9.143 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.451 -9.137 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.342 -9.089 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.230 -10.536 11.942 1.00 0.00 H new ATOM 1836 N SER A 116 -20.740 -7.579 5.509 1.00 0.00 N ATOM 1837 CA SER A 116 -21.573 -6.398 5.316 1.00 0.00 C ATOM 1838 C SER A 116 -23.054 -6.763 5.372 1.00 0.00 C ATOM 1839 O SER A 116 -23.436 -7.898 5.091 1.00 0.00 O ATOM 1840 CB SER A 116 -21.251 -5.734 3.976 1.00 0.00 C ATOM 1841 OG SER A 116 -19.914 -5.264 3.949 1.00 0.00 O ATOM 0 H SER A 116 -21.019 -8.387 4.953 1.00 0.00 H new ATOM 0 HA SER A 116 -21.358 -5.697 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.406 -6.447 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.936 -4.903 3.804 1.00 0.00 H new ATOM 0 HG SER A 116 -19.847 -4.438 4.473 1.00 0.00 H new ATOM 1847 N GLY A 117 -23.883 -5.790 5.738 1.00 0.00 N ATOM 1848 CA GLY A 117 -25.312 -6.027 5.825 1.00 0.00 C ATOM 1849 C GLY A 117 -26.018 -5.003 6.692 1.00 0.00 C ATOM 1850 O GLY A 117 -25.407 -4.064 7.203 1.00 0.00 O ATOM 0 H GLY A 117 -23.590 -4.842 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -25.742 -6.009 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -25.488 -7.024 6.229 1.00 0.00 H new ATOM 1854 N PRO A 118 -27.336 -5.178 6.868 1.00 0.00 N ATOM 1855 CA PRO A 118 -28.154 -4.271 7.678 1.00 0.00 C ATOM 1856 C PRO A 118 -27.842 -4.382 9.166 1.00 0.00 C ATOM 1857 O PRO A 118 -28.002 -5.445 9.766 1.00 0.00 O ATOM 1858 CB PRO A 118 -29.585 -4.736 7.396 1.00 0.00 C ATOM 1859 CG PRO A 118 -29.448 -6.167 7.004 1.00 0.00 C ATOM 1860 CD PRO A 118 -28.129 -6.276 6.289 1.00 0.00 C ATOM 0 HA PRO A 118 -27.973 -3.226 7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -30.218 -4.626 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -30.042 -4.149 6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -29.472 -6.816 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -30.269 -6.475 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -27.659 -7.244 6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -28.245 -6.163 5.211 1.00 0.00 H new ATOM 1868 N SER A 119 -27.396 -3.278 9.757 1.00 0.00 N ATOM 1869 CA SER A 119 -27.058 -3.253 11.175 1.00 0.00 C ATOM 1870 C SER A 119 -26.354 -4.542 11.589 1.00 0.00 C ATOM 1871 O SER A 119 -26.632 -5.100 12.650 1.00 0.00 O ATOM 1872 CB SER A 119 -28.319 -3.053 12.018 1.00 0.00 C ATOM 1873 OG SER A 119 -28.741 -1.701 11.991 1.00 0.00 O ATOM 0 H SER A 119 -27.260 -2.389 9.276 1.00 0.00 H new ATOM 0 HA SER A 119 -26.379 -2.418 11.347 1.00 0.00 H new ATOM 0 HB2 SER A 119 -29.117 -3.694 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 119 -28.124 -3.356 13.047 1.00 0.00 H new ATOM 0 HG SER A 119 -29.549 -1.600 12.536 1.00 0.00 H new ATOM 1879 N SER A 120 -25.442 -5.009 10.743 1.00 0.00 N ATOM 1880 CA SER A 120 -24.700 -6.234 11.018 1.00 0.00 C ATOM 1881 C SER A 120 -23.985 -6.146 12.362 1.00 0.00 C ATOM 1882 O SER A 120 -23.115 -5.299 12.561 1.00 0.00 O ATOM 1883 CB SER A 120 -23.686 -6.502 9.904 1.00 0.00 C ATOM 1884 OG SER A 120 -22.802 -5.406 9.745 1.00 0.00 O ATOM 0 H SER A 120 -25.199 -4.558 9.861 1.00 0.00 H new ATOM 0 HA SER A 120 -25.411 -7.059 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 120 -23.116 -7.402 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 120 -24.211 -6.689 8.967 1.00 0.00 H new ATOM 0 HG SER A 120 -22.665 -4.968 10.611 1.00 0.00 H new ATOM 1890 N GLY A 121 -24.359 -7.029 13.284 1.00 0.00 N ATOM 1891 CA GLY A 121 -23.745 -7.035 14.598 1.00 0.00 C ATOM 1892 C GLY A 121 -23.082 -8.359 14.922 1.00 0.00 C ATOM 1893 O GLY A 121 -22.179 -8.799 14.210 1.00 0.00 O ATOM 0 H GLY A 121 -25.077 -7.740 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -23.004 -6.238 14.653 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -24.503 -6.818 15.351 1.00 0.00 H new TER 1897 GLY A 121