USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -34:sc= 1.1 USER MOD Set 1.2: A 98 ASN : amide:sc= -0.887 K(o=0.21,f=-1.5) USER MOD Set 2.1: A 17 TYR OH : rot -59:sc= 1.63 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.448 K(o=1.9,f=-0.81!) USER MOD Set 2.3: A 75 HIS : no HD1:sc= -0.2 K(o=1.9,f=-0.61!) USER MOD Set 3.1: A 41 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 SER OG : rot 180:sc= -0.237 USER MOD Set 4.2: A 84 MET CE :methyl 171:sc= -3.15 (180deg=-3.7!) 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 24:sc= 0.844 USER MOD Single : A 6 SER OG : rot 45:sc= 0.367 USER MOD Single : A 8 MET CE :methyl -133:sc= -0.333 (180deg=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ 142:sc= -0.118 (180deg=-0.998) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 33:sc= 1.23 USER MOD Single : A 22 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.36) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc=-0.00102 (180deg=-0.138) USER MOD Single : A 27 HIS : no HD1:sc= -4.66! K(o=-4.7!,f=-2.4) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00651 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 24:sc= 0.985 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0641) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 174:sc= 0.0252 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -13:sc= 1.18 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.65! C(o=-2.6!,f=-7.5!) USER MOD Single : A 76 CYS SG : rot 86:sc= -3.19! USER MOD Single : A 81 THR OG1 : rot -17:sc= 0.16 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.794 K(o=-0.79,f=-4.7!) USER MOD Single : A 92 ASN : amide:sc= -2.65! C(o=-2.6!,f=-7.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-5.2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 112 GLN : amide:sc= -0.0334 K(o=-0.033,f=-0.9) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 123 MET CE :methyl -109:sc= -0.514 (180deg=-1.36) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.188 26.315 16.989 1.00 0.00 N ATOM 2 CA GLY A 1 -4.977 25.618 17.380 1.00 0.00 C ATOM 3 C GLY A 1 -4.012 25.439 16.224 1.00 0.00 C ATOM 4 O GLY A 1 -4.416 25.071 15.121 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.814 26.412 17.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.944 27.259 16.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.675 25.774 16.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.484 26.173 18.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.239 24.641 17.785 1.00 0.00 H new ATOM 8 N SER A 2 -2.734 25.702 16.476 1.00 0.00 N ATOM 9 CA SER A 2 -1.710 25.574 15.446 1.00 0.00 C ATOM 10 C SER A 2 -1.936 24.319 14.608 1.00 0.00 C ATOM 11 O SER A 2 -2.530 23.347 15.074 1.00 0.00 O ATOM 12 CB SER A 2 -0.319 25.531 16.083 1.00 0.00 C ATOM 13 OG SER A 2 0.688 25.821 15.129 1.00 0.00 O ATOM 0 H SER A 2 -2.383 26.005 17.384 1.00 0.00 H new ATOM 0 HA SER A 2 -1.777 26.444 14.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.268 26.250 16.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.143 24.545 16.514 1.00 0.00 H new ATOM 0 HG SER A 2 1.567 25.789 15.561 1.00 0.00 H new ATOM 19 N SER A 3 -1.458 24.349 13.368 1.00 0.00 N ATOM 20 CA SER A 3 -1.611 23.217 12.462 1.00 0.00 C ATOM 21 C SER A 3 -0.751 22.041 12.913 1.00 0.00 C ATOM 22 O SER A 3 0.192 22.207 13.686 1.00 0.00 O ATOM 23 CB SER A 3 -1.234 23.623 11.036 1.00 0.00 C ATOM 24 OG SER A 3 -1.967 22.874 10.082 1.00 0.00 O ATOM 0 H SER A 3 -0.961 25.145 12.968 1.00 0.00 H new ATOM 0 HA SER A 3 -2.656 22.908 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.427 24.686 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.166 23.469 10.881 1.00 0.00 H new ATOM 0 HG SER A 3 -1.709 23.153 9.179 1.00 0.00 H new ATOM 30 N GLY A 4 -1.083 20.850 12.423 1.00 0.00 N ATOM 31 CA GLY A 4 -0.331 19.663 12.785 1.00 0.00 C ATOM 32 C GLY A 4 -1.184 18.409 12.767 1.00 0.00 C ATOM 33 O GLY A 4 -2.324 18.419 13.231 1.00 0.00 O ATOM 0 H GLY A 4 -1.859 20.686 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.504 19.541 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.094 19.795 13.780 1.00 0.00 H new ATOM 37 N SER A 5 -0.631 17.327 12.229 1.00 0.00 N ATOM 38 CA SER A 5 -1.350 16.061 12.146 1.00 0.00 C ATOM 39 C SER A 5 -0.380 14.895 11.982 1.00 0.00 C ATOM 40 O SER A 5 0.205 14.706 10.916 1.00 0.00 O ATOM 41 CB SER A 5 -2.338 16.087 10.979 1.00 0.00 C ATOM 42 OG SER A 5 -3.543 16.737 11.344 1.00 0.00 O ATOM 0 H SER A 5 0.313 17.302 11.844 1.00 0.00 H new ATOM 0 HA SER A 5 -1.902 15.923 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.888 16.600 10.129 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.554 15.068 10.659 1.00 0.00 H new ATOM 0 HG SER A 5 -3.371 17.351 12.089 1.00 0.00 H new ATOM 48 N SER A 6 -0.216 14.115 13.046 1.00 0.00 N ATOM 49 CA SER A 6 0.685 12.969 13.021 1.00 0.00 C ATOM 50 C SER A 6 0.008 11.733 13.605 1.00 0.00 C ATOM 51 O SER A 6 -0.093 11.583 14.822 1.00 0.00 O ATOM 52 CB SER A 6 1.962 13.282 13.803 1.00 0.00 C ATOM 53 OG SER A 6 1.661 13.776 15.096 1.00 0.00 O ATOM 0 H SER A 6 -0.695 14.256 13.935 1.00 0.00 H new ATOM 0 HA SER A 6 0.944 12.763 11.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.570 12.381 13.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.554 14.017 13.258 1.00 0.00 H new ATOM 0 HG SER A 6 0.955 13.229 15.499 1.00 0.00 H new ATOM 59 N GLY A 7 -0.456 10.849 12.727 1.00 0.00 N ATOM 60 CA GLY A 7 -1.118 9.637 13.173 1.00 0.00 C ATOM 61 C GLY A 7 -1.094 8.543 12.124 1.00 0.00 C ATOM 62 O GLY A 7 -0.530 8.722 11.045 1.00 0.00 O ATOM 0 H GLY A 7 -0.385 10.951 11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.635 9.276 14.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.152 9.866 13.431 1.00 0.00 H new ATOM 66 N MET A 8 -1.705 7.407 12.442 1.00 0.00 N ATOM 67 CA MET A 8 -1.750 6.280 11.518 1.00 0.00 C ATOM 68 C MET A 8 -3.191 5.920 11.170 1.00 0.00 C ATOM 69 O MET A 8 -4.112 6.187 11.942 1.00 0.00 O ATOM 70 CB MET A 8 -1.041 5.067 12.124 1.00 0.00 C ATOM 71 CG MET A 8 -1.740 4.505 13.351 1.00 0.00 C ATOM 72 SD MET A 8 -1.172 5.267 14.883 1.00 0.00 S ATOM 73 CE MET A 8 0.553 4.784 14.883 1.00 0.00 C ATOM 0 H MET A 8 -2.176 7.242 13.332 1.00 0.00 H new ATOM 0 HA MET A 8 -1.236 6.572 10.602 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.967 4.285 11.368 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.023 5.348 12.393 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.815 4.654 13.252 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.571 3.429 13.400 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.823 4.398 15.866 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.714 4.010 14.132 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.173 5.650 14.651 1.00 0.00 H new ATOM 83 N VAL A 9 -3.379 5.311 10.003 1.00 0.00 N ATOM 84 CA VAL A 9 -4.708 4.913 9.554 1.00 0.00 C ATOM 85 C VAL A 9 -4.742 3.436 9.178 1.00 0.00 C ATOM 86 O VAL A 9 -5.605 2.687 9.636 1.00 0.00 O ATOM 87 CB VAL A 9 -5.165 5.750 8.344 1.00 0.00 C ATOM 88 CG1 VAL A 9 -6.541 5.302 7.875 1.00 0.00 C ATOM 89 CG2 VAL A 9 -5.167 7.231 8.692 1.00 0.00 C ATOM 0 H VAL A 9 -2.628 5.083 9.352 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.389 5.088 10.387 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.460 5.593 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.848 5.904 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.502 4.252 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.260 5.428 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.492 7.808 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.849 7.408 9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.161 7.539 8.976 1.00 0.00 H new ATOM 99 N LYS A 10 -3.797 3.022 8.341 1.00 0.00 N ATOM 100 CA LYS A 10 -3.715 1.634 7.904 1.00 0.00 C ATOM 101 C LYS A 10 -2.264 1.172 7.825 1.00 0.00 C ATOM 102 O LYS A 10 -1.382 1.933 7.430 1.00 0.00 O ATOM 103 CB LYS A 10 -4.389 1.467 6.540 1.00 0.00 C ATOM 104 CG LYS A 10 -4.377 0.038 6.027 1.00 0.00 C ATOM 105 CD LYS A 10 -5.439 -0.181 4.962 1.00 0.00 C ATOM 106 CE LYS A 10 -6.760 -0.622 5.574 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.607 0.540 5.961 1.00 0.00 N ATOM 0 H LYS A 10 -3.076 3.629 7.951 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.234 1.018 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.421 1.811 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.888 2.109 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.395 -0.194 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.545 -0.649 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.587 0.741 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.095 -0.935 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.301 -1.244 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.566 -1.238 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.604 0.326 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.494 0.729 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.315 1.378 5.419 1.00 0.00 H new ATOM 121 N GLU A 11 -2.024 -0.080 8.204 1.00 0.00 N ATOM 122 CA GLU A 11 -0.679 -0.641 8.175 1.00 0.00 C ATOM 123 C GLU A 11 -0.725 -2.166 8.212 1.00 0.00 C ATOM 124 O GLU A 11 -1.732 -2.759 8.597 1.00 0.00 O ATOM 125 CB GLU A 11 0.142 -0.117 9.355 1.00 0.00 C ATOM 126 CG GLU A 11 -0.457 -0.451 10.710 1.00 0.00 C ATOM 127 CD GLU A 11 -1.523 0.541 11.137 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.198 1.738 11.277 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.682 0.118 11.331 1.00 0.00 O ATOM 0 H GLU A 11 -2.743 -0.724 8.534 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.204 -0.331 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.148 -0.533 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.239 0.965 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.889 -1.451 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.335 -0.472 11.458 1.00 0.00 H new ATOM 136 N GLY A 12 0.374 -2.796 7.807 1.00 0.00 N ATOM 137 CA GLY A 12 0.438 -4.246 7.800 1.00 0.00 C ATOM 138 C GLY A 12 1.338 -4.781 6.705 1.00 0.00 C ATOM 139 O GLY A 12 1.640 -4.077 5.740 1.00 0.00 O ATOM 0 H GLY A 12 1.221 -2.328 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.800 -4.595 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.566 -4.650 7.671 1.00 0.00 H new ATOM 143 N TRP A 13 1.770 -6.028 6.853 1.00 0.00 N ATOM 144 CA TRP A 13 2.644 -6.657 5.868 1.00 0.00 C ATOM 145 C TRP A 13 1.876 -6.988 4.593 1.00 0.00 C ATOM 146 O TRP A 13 0.692 -7.321 4.639 1.00 0.00 O ATOM 147 CB TRP A 13 3.269 -7.927 6.447 1.00 0.00 C ATOM 148 CG TRP A 13 4.039 -7.687 7.710 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.524 -7.480 8.958 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.463 -7.628 7.847 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.541 -7.295 9.862 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.741 -7.383 9.206 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.530 -7.761 6.955 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.041 -7.267 9.691 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.820 -7.645 7.438 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.067 -7.401 8.795 1.00 0.00 C ATOM 0 H TRP A 13 1.530 -6.624 7.645 1.00 0.00 H new ATOM 0 HA TRP A 13 3.437 -5.952 5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.481 -8.654 6.643 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.933 -8.368 5.704 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.471 -7.464 9.199 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.422 -7.120 10.860 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.350 -7.951 5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.233 -7.078 10.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.652 -7.744 6.757 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.087 -7.317 9.141 1.00 0.00 H new ATOM 167 N MET A 14 2.558 -6.897 3.456 1.00 0.00 N ATOM 168 CA MET A 14 1.939 -7.189 2.168 1.00 0.00 C ATOM 169 C MET A 14 2.994 -7.554 1.129 1.00 0.00 C ATOM 170 O MET A 14 4.182 -7.291 1.316 1.00 0.00 O ATOM 171 CB MET A 14 1.124 -5.988 1.685 1.00 0.00 C ATOM 172 CG MET A 14 0.162 -6.320 0.557 1.00 0.00 C ATOM 173 SD MET A 14 -1.271 -5.227 0.521 1.00 0.00 S ATOM 174 CE MET A 14 -2.443 -6.173 1.491 1.00 0.00 C ATOM 0 H MET A 14 3.539 -6.623 3.400 1.00 0.00 H new ATOM 0 HA MET A 14 1.272 -8.041 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.560 -5.581 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.807 -5.207 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.688 -6.254 -0.395 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.175 -7.351 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.383 -5.626 1.560 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.618 -7.136 1.012 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.042 -6.333 2.492 1.00 0.00 H new ATOM 184 N VAL A 15 2.552 -8.162 0.032 1.00 0.00 N ATOM 185 CA VAL A 15 3.458 -8.562 -1.038 1.00 0.00 C ATOM 186 C VAL A 15 3.138 -7.826 -2.334 1.00 0.00 C ATOM 187 O VAL A 15 1.978 -7.525 -2.619 1.00 0.00 O ATOM 188 CB VAL A 15 3.391 -10.080 -1.292 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.890 -10.847 -0.077 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.973 -10.497 -1.651 1.00 0.00 C ATOM 0 H VAL A 15 1.572 -8.388 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 15 4.465 -8.299 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 15 4.040 -10.320 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.835 -11.918 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.923 -10.569 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.269 -10.605 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.944 -11.572 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.301 -10.245 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.657 -9.973 -2.553 1.00 0.00 H new ATOM 200 N HIS A 16 4.173 -7.540 -3.117 1.00 0.00 N ATOM 201 CA HIS A 16 4.001 -6.840 -4.385 1.00 0.00 C ATOM 202 C HIS A 16 5.131 -7.181 -5.352 1.00 0.00 C ATOM 203 O HIS A 16 6.207 -7.612 -4.937 1.00 0.00 O ATOM 204 CB HIS A 16 3.950 -5.329 -4.155 1.00 0.00 C ATOM 205 CG HIS A 16 5.299 -4.678 -4.153 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.224 -4.866 -3.148 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.878 -3.838 -5.043 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.313 -4.168 -3.418 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.129 -3.536 -4.563 1.00 0.00 N ATOM 0 H HIS A 16 5.139 -7.782 -2.896 1.00 0.00 H new ATOM 0 HA HIS A 16 3.059 -7.165 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.336 -4.872 -4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.459 -5.131 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.438 -3.473 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.202 -4.122 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.806 -2.923 -5.017 1.00 0.00 H new ATOM 218 N TYR A 17 4.879 -6.987 -6.641 1.00 0.00 N ATOM 219 CA TYR A 17 5.874 -7.278 -7.667 1.00 0.00 C ATOM 220 C TYR A 17 5.929 -6.161 -8.704 1.00 0.00 C ATOM 221 O TYR A 17 4.924 -5.508 -8.986 1.00 0.00 O ATOM 222 CB TYR A 17 5.558 -8.609 -8.351 1.00 0.00 C ATOM 223 CG TYR A 17 4.304 -8.573 -9.196 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.251 -7.823 -10.363 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.174 -9.292 -8.826 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.107 -7.787 -11.137 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.026 -9.263 -9.595 1.00 0.00 C ATOM 228 CZ TYR A 17 1.998 -8.508 -10.749 1.00 0.00 C ATOM 229 OH TYR A 17 0.857 -8.476 -11.518 1.00 0.00 O ATOM 0 H TYR A 17 3.994 -6.629 -7.001 1.00 0.00 H new ATOM 0 HA TYR A 17 6.848 -7.348 -7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.402 -8.894 -8.980 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.451 -9.382 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.118 -7.258 -10.671 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.193 -9.883 -7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.082 -7.197 -12.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.156 -9.828 -9.294 1.00 0.00 H new ATOM 0 HH TYR A 17 0.542 -7.551 -11.598 1.00 0.00 H new ATOM 239 N THR A 18 7.112 -5.946 -9.271 1.00 0.00 N ATOM 240 CA THR A 18 7.301 -4.908 -10.277 1.00 0.00 C ATOM 241 C THR A 18 6.928 -5.414 -11.665 1.00 0.00 C ATOM 242 O THR A 18 6.846 -6.621 -11.896 1.00 0.00 O ATOM 243 CB THR A 18 8.758 -4.407 -10.300 1.00 0.00 C ATOM 244 OG1 THR A 18 9.659 -5.517 -10.215 1.00 0.00 O ATOM 245 CG2 THR A 18 9.018 -3.447 -9.150 1.00 0.00 C ATOM 0 H THR A 18 7.954 -6.477 -9.050 1.00 0.00 H new ATOM 0 HA THR A 18 6.644 -4.081 -10.006 1.00 0.00 H new ATOM 0 HB THR A 18 8.922 -3.877 -11.238 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.264 -6.294 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.053 -3.107 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.351 -2.589 -9.234 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.837 -3.956 -8.203 1.00 0.00 H new ATOM 253 N SER A 19 6.702 -4.484 -12.588 1.00 0.00 N ATOM 254 CA SER A 19 6.334 -4.836 -13.954 1.00 0.00 C ATOM 255 C SER A 19 7.504 -5.494 -14.680 1.00 0.00 C ATOM 256 O SER A 19 7.338 -6.511 -15.353 1.00 0.00 O ATOM 257 CB SER A 19 5.879 -3.592 -14.719 1.00 0.00 C ATOM 258 OG SER A 19 6.745 -2.498 -14.474 1.00 0.00 O ATOM 0 H SER A 19 6.767 -3.481 -12.414 1.00 0.00 H new ATOM 0 HA SER A 19 5.510 -5.548 -13.910 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.853 -3.807 -15.787 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.864 -3.330 -14.422 1.00 0.00 H new ATOM 0 HG SER A 19 6.434 -1.716 -14.976 1.00 0.00 H new ATOM 264 N ARG A 20 8.687 -4.905 -14.537 1.00 0.00 N ATOM 265 CA ARG A 20 9.885 -5.432 -15.180 1.00 0.00 C ATOM 266 C ARG A 20 10.298 -6.761 -14.554 1.00 0.00 C ATOM 267 O ARG A 20 10.462 -7.762 -15.250 1.00 0.00 O ATOM 268 CB ARG A 20 11.032 -4.426 -15.070 1.00 0.00 C ATOM 269 CG ARG A 20 10.854 -3.201 -15.953 1.00 0.00 C ATOM 270 CD ARG A 20 12.191 -2.565 -16.299 1.00 0.00 C ATOM 271 NE ARG A 20 12.047 -1.481 -17.267 1.00 0.00 N ATOM 272 CZ ARG A 20 13.071 -0.926 -17.906 1.00 0.00 C ATOM 273 NH1 ARG A 20 14.307 -1.350 -17.681 1.00 0.00 N ATOM 274 NH2 ARG A 20 12.860 0.056 -18.773 1.00 0.00 N ATOM 0 H ARG A 20 8.841 -4.063 -13.982 1.00 0.00 H new ATOM 0 HA ARG A 20 9.658 -5.601 -16.233 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.125 -4.105 -14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.966 -4.922 -15.335 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.336 -3.484 -16.870 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.224 -2.472 -15.443 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.655 -2.181 -15.391 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.860 -3.325 -16.702 1.00 0.00 H new ATOM 0 HE ARG A 20 11.109 -1.131 -17.463 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.474 -2.105 -17.015 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.091 -0.922 -18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.911 0.385 -18.949 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.647 0.481 -19.263 1.00 0.00 H new ATOM 288 N ASP A 21 10.465 -6.761 -13.236 1.00 0.00 N ATOM 289 CA ASP A 21 10.858 -7.966 -12.515 1.00 0.00 C ATOM 290 C ASP A 21 9.667 -8.573 -11.779 1.00 0.00 C ATOM 291 O ASP A 21 8.987 -7.892 -11.013 1.00 0.00 O ATOM 292 CB ASP A 21 11.979 -7.650 -11.524 1.00 0.00 C ATOM 293 CG ASP A 21 13.334 -7.548 -12.195 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.391 -7.073 -13.349 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.339 -7.943 -11.567 1.00 0.00 O ATOM 0 H ASP A 21 10.334 -5.940 -12.645 1.00 0.00 H new ATOM 0 HA ASP A 21 11.220 -8.692 -13.242 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.757 -6.711 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.013 -8.426 -10.759 1.00 0.00 H new ATOM 300 N ASN A 22 9.421 -9.857 -12.019 1.00 0.00 N ATOM 301 CA ASN A 22 8.311 -10.554 -11.381 1.00 0.00 C ATOM 302 C ASN A 22 8.721 -11.093 -10.014 1.00 0.00 C ATOM 303 O ASN A 22 8.139 -12.056 -9.513 1.00 0.00 O ATOM 304 CB ASN A 22 7.825 -11.702 -12.268 1.00 0.00 C ATOM 305 CG ASN A 22 8.964 -12.402 -12.983 1.00 0.00 C ATOM 306 OD1 ASN A 22 8.996 -12.463 -14.213 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.906 -12.937 -12.215 1.00 0.00 N ATOM 0 H ASN A 22 9.975 -10.435 -12.650 1.00 0.00 H new ATOM 0 HA ASN A 22 7.498 -9.841 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.284 -12.425 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.120 -11.315 -13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.696 -13.422 -12.640 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.839 -12.863 -11.200 1.00 0.00 H new ATOM 314 N LEU A 23 9.727 -10.464 -9.414 1.00 0.00 N ATOM 315 CA LEU A 23 10.215 -10.879 -8.104 1.00 0.00 C ATOM 316 C LEU A 23 9.329 -10.327 -6.992 1.00 0.00 C ATOM 317 O LEU A 23 9.435 -9.157 -6.624 1.00 0.00 O ATOM 318 CB LEU A 23 11.657 -10.409 -7.903 1.00 0.00 C ATOM 319 CG LEU A 23 12.502 -11.231 -6.928 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.979 -10.919 -7.109 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.070 -10.965 -5.494 1.00 0.00 C ATOM 0 H LEU A 23 10.220 -9.666 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 23 10.184 -11.968 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.156 -10.407 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.636 -9.377 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 23 12.346 -12.288 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.565 -11.513 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.280 -11.161 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.153 -9.859 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.682 -11.558 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.196 -9.907 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.022 -11.240 -5.373 1.00 0.00 H new ATOM 333 N ARG A 24 8.457 -11.177 -6.460 1.00 0.00 N ATOM 334 CA ARG A 24 7.553 -10.774 -5.390 1.00 0.00 C ATOM 335 C ARG A 24 8.324 -10.494 -4.103 1.00 0.00 C ATOM 336 O ARG A 24 9.187 -11.275 -3.702 1.00 0.00 O ATOM 337 CB ARG A 24 6.505 -11.861 -5.143 1.00 0.00 C ATOM 338 CG ARG A 24 5.376 -11.421 -4.224 1.00 0.00 C ATOM 339 CD ARG A 24 4.080 -12.148 -4.547 1.00 0.00 C ATOM 340 NE ARG A 24 4.303 -13.561 -4.839 1.00 0.00 N ATOM 341 CZ ARG A 24 4.398 -14.499 -3.904 1.00 0.00 C ATOM 342 NH1 ARG A 24 4.290 -14.176 -2.623 1.00 0.00 N ATOM 343 NH2 ARG A 24 4.602 -15.764 -4.249 1.00 0.00 N ATOM 0 H ARG A 24 8.357 -12.149 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 24 7.051 -9.857 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.084 -12.172 -6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.994 -12.734 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.653 -11.613 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.225 -10.346 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.393 -12.056 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.601 -11.672 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 24 4.391 -13.843 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.133 -13.205 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.363 -14.899 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.686 -16.017 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.675 -16.483 -3.530 1.00 0.00 H new ATOM 357 N LYS A 25 8.007 -9.375 -3.461 1.00 0.00 N ATOM 358 CA LYS A 25 8.668 -8.991 -2.220 1.00 0.00 C ATOM 359 C LYS A 25 7.646 -8.722 -1.120 1.00 0.00 C ATOM 360 O LYS A 25 6.572 -8.177 -1.377 1.00 0.00 O ATOM 361 CB LYS A 25 9.534 -7.749 -2.442 1.00 0.00 C ATOM 362 CG LYS A 25 10.955 -8.067 -2.873 1.00 0.00 C ATOM 363 CD LYS A 25 11.613 -6.875 -3.548 1.00 0.00 C ATOM 364 CE LYS A 25 13.060 -7.170 -3.912 1.00 0.00 C ATOM 365 NZ LYS A 25 13.917 -7.315 -2.703 1.00 0.00 N ATOM 0 H LYS A 25 7.296 -8.718 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 25 9.305 -9.818 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.066 -7.121 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.564 -7.168 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.542 -8.364 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.947 -8.915 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.057 -6.612 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.572 -6.011 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.107 -8.085 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.448 -6.367 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.918 -7.329 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.750 -6.514 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.683 -8.204 -2.216 1.00 0.00 H new ATOM 379 N ARG A 26 7.988 -9.105 0.106 1.00 0.00 N ATOM 380 CA ARG A 26 7.100 -8.904 1.245 1.00 0.00 C ATOM 381 C ARG A 26 7.725 -7.951 2.260 1.00 0.00 C ATOM 382 O ARG A 26 8.828 -8.189 2.754 1.00 0.00 O ATOM 383 CB ARG A 26 6.783 -10.242 1.914 1.00 0.00 C ATOM 384 CG ARG A 26 5.839 -10.122 3.098 1.00 0.00 C ATOM 385 CD ARG A 26 5.950 -11.324 4.024 1.00 0.00 C ATOM 386 NE ARG A 26 7.260 -11.400 4.666 1.00 0.00 N ATOM 387 CZ ARG A 26 7.537 -12.220 5.674 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.602 -13.030 6.151 1.00 0.00 N ATOM 389 NH2 ARG A 26 8.753 -12.232 6.206 1.00 0.00 N ATOM 0 H ARG A 26 8.873 -9.556 0.336 1.00 0.00 H new ATOM 0 HA ARG A 26 6.174 -8.461 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.343 -10.912 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.714 -10.701 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.064 -9.212 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.814 -10.031 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.175 -11.266 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.771 -12.237 3.456 1.00 0.00 H new ATOM 0 HE ARG A 26 8.002 -10.791 4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.667 -13.025 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.818 -13.658 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.476 -11.611 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.965 -12.862 6.980 1.00 0.00 H new ATOM 403 N HIS A 27 7.014 -6.871 2.567 1.00 0.00 N ATOM 404 CA HIS A 27 7.498 -5.882 3.523 1.00 0.00 C ATOM 405 C HIS A 27 6.338 -5.250 4.286 1.00 0.00 C ATOM 406 O HIS A 27 5.189 -5.309 3.848 1.00 0.00 O ATOM 407 CB HIS A 27 8.303 -4.798 2.805 1.00 0.00 C ATOM 408 CG HIS A 27 9.410 -5.339 1.953 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.602 -4.964 0.640 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.388 -6.232 2.235 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.649 -5.603 0.150 1.00 0.00 C ATOM 412 NE2 HIS A 27 11.145 -6.378 1.098 1.00 0.00 N ATOM 0 H HIS A 27 6.100 -6.658 2.167 1.00 0.00 H new ATOM 0 HA HIS A 27 8.145 -6.391 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.630 -4.210 2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.725 -4.119 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.544 -6.735 3.178 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.034 -5.508 -0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.958 -6.986 1.001 1.00 0.00 H new ATOM 421 N TYR A 28 6.647 -4.646 5.428 1.00 0.00 N ATOM 422 CA TYR A 28 5.629 -4.005 6.253 1.00 0.00 C ATOM 423 C TYR A 28 5.132 -2.718 5.603 1.00 0.00 C ATOM 424 O TYR A 28 5.738 -1.657 5.757 1.00 0.00 O ATOM 425 CB TYR A 28 6.187 -3.705 7.645 1.00 0.00 C ATOM 426 CG TYR A 28 5.200 -3.010 8.556 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.262 -3.736 9.279 1.00 0.00 C ATOM 428 CD2 TYR A 28 5.207 -1.627 8.694 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.357 -3.105 10.111 1.00 0.00 C ATOM 430 CE2 TYR A 28 4.307 -0.988 9.525 1.00 0.00 C ATOM 431 CZ TYR A 28 3.384 -1.731 10.231 1.00 0.00 C ATOM 432 OH TYR A 28 2.486 -1.099 11.060 1.00 0.00 O ATOM 0 H TYR A 28 7.593 -4.587 5.804 1.00 0.00 H new ATOM 0 HA TYR A 28 4.787 -4.691 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.502 -4.639 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.076 -3.083 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.240 -4.812 9.189 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.928 -1.042 8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.633 -3.684 10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.326 0.088 9.621 1.00 0.00 H new ATOM 0 HH TYR A 28 2.640 -0.132 11.032 1.00 0.00 H new ATOM 442 N TRP A 29 4.025 -2.819 4.877 1.00 0.00 N ATOM 443 CA TRP A 29 3.444 -1.663 4.203 1.00 0.00 C ATOM 444 C TRP A 29 2.596 -0.841 5.167 1.00 0.00 C ATOM 445 O TRP A 29 1.690 -1.366 5.814 1.00 0.00 O ATOM 446 CB TRP A 29 2.595 -2.113 3.014 1.00 0.00 C ATOM 447 CG TRP A 29 3.389 -2.314 1.759 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.628 -2.881 1.654 1.00 0.00 C ATOM 449 CD2 TRP A 29 3.001 -1.947 0.430 1.00 0.00 C ATOM 450 NE1 TRP A 29 5.032 -2.888 0.341 1.00 0.00 N ATOM 451 CE2 TRP A 29 4.052 -2.321 -0.430 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.867 -1.340 -0.116 1.00 0.00 C ATOM 453 CZ2 TRP A 29 4.000 -2.107 -1.804 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.818 -1.128 -1.481 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.878 -1.511 -2.313 1.00 0.00 C ATOM 0 H TRP A 29 3.511 -3.689 4.740 1.00 0.00 H new ATOM 0 HA TRP A 29 4.260 -1.037 3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.090 -3.045 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.819 -1.370 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.205 -3.267 2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.919 -3.256 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.044 -1.042 0.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.817 -2.401 -2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.947 -0.659 -1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.809 -1.333 -3.376 1.00 0.00 H new ATOM 466 N ARG A 30 2.895 0.451 5.258 1.00 0.00 N ATOM 467 CA ARG A 30 2.160 1.345 6.144 1.00 0.00 C ATOM 468 C ARG A 30 1.656 2.569 5.385 1.00 0.00 C ATOM 469 O ARG A 30 2.409 3.214 4.654 1.00 0.00 O ATOM 470 CB ARG A 30 3.046 1.784 7.311 1.00 0.00 C ATOM 471 CG ARG A 30 4.123 2.782 6.916 1.00 0.00 C ATOM 472 CD ARG A 30 4.884 3.291 8.130 1.00 0.00 C ATOM 473 NE ARG A 30 4.046 4.119 8.993 1.00 0.00 N ATOM 474 CZ ARG A 30 4.529 5.038 9.823 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.836 5.245 9.901 1.00 0.00 N ATOM 476 NH2 ARG A 30 3.703 5.752 10.576 1.00 0.00 N ATOM 0 H ARG A 30 3.641 0.902 4.729 1.00 0.00 H new ATOM 0 HA ARG A 30 1.300 0.802 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.419 2.226 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.520 0.905 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.818 2.312 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.667 3.622 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.266 2.444 8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.748 3.869 7.801 1.00 0.00 H new ATOM 0 HE ARG A 30 3.036 3.985 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.474 4.698 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.203 5.951 10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.697 5.596 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.074 6.457 11.213 1.00 0.00 H new ATOM 490 N LEU A 31 0.378 2.884 5.563 1.00 0.00 N ATOM 491 CA LEU A 31 -0.228 4.031 4.895 1.00 0.00 C ATOM 492 C LEU A 31 -0.894 4.960 5.904 1.00 0.00 C ATOM 493 O LEU A 31 -1.442 4.509 6.911 1.00 0.00 O ATOM 494 CB LEU A 31 -1.254 3.561 3.862 1.00 0.00 C ATOM 495 CG LEU A 31 -2.130 4.651 3.243 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.342 5.452 2.219 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.370 4.040 2.605 1.00 0.00 C ATOM 0 H LEU A 31 -0.259 2.361 6.164 1.00 0.00 H new ATOM 0 HA LEU A 31 0.563 4.584 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.723 3.049 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.904 2.825 4.334 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.449 5.328 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.982 6.223 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.486 5.920 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.993 4.788 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.982 4.830 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.071 3.341 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.947 3.511 3.364 1.00 0.00 H new ATOM 509 N ASP A 32 -0.846 6.258 5.627 1.00 0.00 N ATOM 510 CA ASP A 32 -1.448 7.251 6.510 1.00 0.00 C ATOM 511 C ASP A 32 -2.080 8.382 5.704 1.00 0.00 C ATOM 512 O ASP A 32 -1.949 8.435 4.481 1.00 0.00 O ATOM 513 CB ASP A 32 -0.398 7.816 7.468 1.00 0.00 C ATOM 514 CG ASP A 32 0.669 6.800 7.822 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.546 6.540 6.973 1.00 0.00 O ATOM 516 OD2 ASP A 32 0.626 6.263 8.950 1.00 0.00 O ATOM 0 H ASP A 32 -0.397 6.648 4.798 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.230 6.760 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.072 8.689 7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.888 8.156 8.380 1.00 0.00 H new ATOM 521 N SER A 33 -2.768 9.283 6.398 1.00 0.00 N ATOM 522 CA SER A 33 -3.426 10.410 5.746 1.00 0.00 C ATOM 523 C SER A 33 -2.400 11.349 5.119 1.00 0.00 C ATOM 524 O SER A 33 -2.755 12.308 4.434 1.00 0.00 O ATOM 525 CB SER A 33 -4.287 11.176 6.752 1.00 0.00 C ATOM 526 OG SER A 33 -5.391 11.793 6.113 1.00 0.00 O ATOM 0 H SER A 33 -2.884 9.255 7.411 1.00 0.00 H new ATOM 0 HA SER A 33 -4.065 10.018 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.644 10.494 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.682 11.933 7.251 1.00 0.00 H new ATOM 0 HG SER A 33 -5.926 12.275 6.778 1.00 0.00 H new ATOM 532 N LYS A 34 -1.124 11.065 5.357 1.00 0.00 N ATOM 533 CA LYS A 34 -0.044 11.881 4.816 1.00 0.00 C ATOM 534 C LYS A 34 0.562 11.229 3.576 1.00 0.00 C ATOM 535 O LYS A 34 0.374 11.708 2.457 1.00 0.00 O ATOM 536 CB LYS A 34 1.041 12.095 5.874 1.00 0.00 C ATOM 537 CG LYS A 34 0.790 13.298 6.767 1.00 0.00 C ATOM 538 CD LYS A 34 2.091 13.890 7.282 1.00 0.00 C ATOM 539 CE LYS A 34 1.855 15.204 8.010 1.00 0.00 C ATOM 540 NZ LYS A 34 3.029 16.115 7.905 1.00 0.00 N ATOM 0 H LYS A 34 -0.812 10.275 5.922 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.460 12.847 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.114 11.201 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.003 12.217 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.239 14.056 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.165 13.003 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.573 13.181 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.774 14.052 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.975 15.696 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.643 15.004 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.829 17.000 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.863 15.656 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.216 16.326 6.904 1.00 0.00 H new ATOM 554 N CYS A 35 1.286 10.136 3.783 1.00 0.00 N ATOM 555 CA CYS A 35 1.919 9.418 2.681 1.00 0.00 C ATOM 556 C CYS A 35 2.209 7.972 3.070 1.00 0.00 C ATOM 557 O CYS A 35 2.229 7.628 4.253 1.00 0.00 O ATOM 558 CB CYS A 35 3.214 10.117 2.267 1.00 0.00 C ATOM 559 SG CYS A 35 4.168 10.785 3.650 1.00 0.00 S ATOM 0 H CYS A 35 1.450 9.727 4.703 1.00 0.00 H new ATOM 0 HA CYS A 35 1.230 9.417 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.836 9.410 1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.973 10.929 1.581 1.00 0.00 H new ATOM 0 HG CYS A 35 5.246 11.354 3.199 1.00 0.00 H new ATOM 565 N LEU A 36 2.431 7.129 2.068 1.00 0.00 N ATOM 566 CA LEU A 36 2.718 5.718 2.304 1.00 0.00 C ATOM 567 C LEU A 36 4.203 5.504 2.583 1.00 0.00 C ATOM 568 O LEU A 36 5.049 6.278 2.133 1.00 0.00 O ATOM 569 CB LEU A 36 2.289 4.881 1.098 1.00 0.00 C ATOM 570 CG LEU A 36 2.642 3.394 1.153 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.633 2.636 2.001 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.709 2.810 -0.251 1.00 0.00 C ATOM 0 H LEU A 36 2.418 7.398 1.084 1.00 0.00 H new ATOM 0 HA LEU A 36 2.152 5.399 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.209 4.973 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.743 5.309 0.204 1.00 0.00 H new ATOM 0 HG LEU A 36 3.624 3.290 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.901 1.580 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.635 3.037 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.638 2.747 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.961 1.751 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.742 2.926 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.472 3.334 -0.827 1.00 0.00 H new ATOM 584 N THR A 37 4.514 4.447 3.327 1.00 0.00 N ATOM 585 CA THR A 37 5.895 4.130 3.665 1.00 0.00 C ATOM 586 C THR A 37 6.122 2.623 3.694 1.00 0.00 C ATOM 587 O THR A 37 5.175 1.844 3.808 1.00 0.00 O ATOM 588 CB THR A 37 6.290 4.724 5.031 1.00 0.00 C ATOM 589 OG1 THR A 37 5.843 6.081 5.122 1.00 0.00 O ATOM 590 CG2 THR A 37 7.797 4.666 5.231 1.00 0.00 C ATOM 0 H THR A 37 3.827 3.796 3.707 1.00 0.00 H new ATOM 0 HA THR A 37 6.520 4.574 2.890 1.00 0.00 H new ATOM 0 HB THR A 37 5.813 4.132 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.096 6.451 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.052 5.091 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.130 3.629 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.291 5.237 4.444 1.00 0.00 H new ATOM 598 N LEU A 38 7.383 2.218 3.591 1.00 0.00 N ATOM 599 CA LEU A 38 7.735 0.802 3.606 1.00 0.00 C ATOM 600 C LEU A 38 8.792 0.515 4.668 1.00 0.00 C ATOM 601 O LEU A 38 9.620 1.371 4.982 1.00 0.00 O ATOM 602 CB LEU A 38 8.246 0.368 2.231 1.00 0.00 C ATOM 603 CG LEU A 38 7.189 -0.146 1.254 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.592 1.004 0.459 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.788 -1.188 0.320 1.00 0.00 C ATOM 0 H LEU A 38 8.178 2.849 3.496 1.00 0.00 H new ATOM 0 HA LEU A 38 6.838 0.233 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.756 1.215 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.992 -0.414 2.373 1.00 0.00 H new ATOM 0 HG LEU A 38 6.391 -0.617 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.842 0.618 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.126 1.715 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.380 1.505 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.021 -1.543 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.606 -0.742 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.166 -2.026 0.905 1.00 0.00 H new ATOM 617 N PHE A 39 8.759 -0.695 5.216 1.00 0.00 N ATOM 618 CA PHE A 39 9.715 -1.096 6.242 1.00 0.00 C ATOM 619 C PHE A 39 10.248 -2.500 5.971 1.00 0.00 C ATOM 620 O PHE A 39 9.534 -3.354 5.446 1.00 0.00 O ATOM 621 CB PHE A 39 9.063 -1.044 7.625 1.00 0.00 C ATOM 622 CG PHE A 39 9.125 0.313 8.267 1.00 0.00 C ATOM 623 CD1 PHE A 39 10.326 0.814 8.743 1.00 0.00 C ATOM 624 CD2 PHE A 39 7.983 1.087 8.393 1.00 0.00 C ATOM 625 CE1 PHE A 39 10.385 2.062 9.335 1.00 0.00 C ATOM 626 CE2 PHE A 39 8.037 2.336 8.983 1.00 0.00 C ATOM 627 CZ PHE A 39 9.240 2.824 9.453 1.00 0.00 C ATOM 0 H PHE A 39 8.081 -1.415 4.967 1.00 0.00 H new ATOM 0 HA PHE A 39 10.552 -0.398 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.020 -1.348 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.553 -1.768 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 39 11.225 0.223 8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.040 0.710 8.026 1.00 0.00 H new ATOM 0 HE1 PHE A 39 11.326 2.441 9.705 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.139 2.929 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.285 3.800 9.912 1.00 0.00 H new ATOM 637 N GLN A 40 11.506 -2.729 6.331 1.00 0.00 N ATOM 638 CA GLN A 40 12.135 -4.028 6.126 1.00 0.00 C ATOM 639 C GLN A 40 11.761 -4.997 7.243 1.00 0.00 C ATOM 640 O GLN A 40 11.329 -6.119 6.986 1.00 0.00 O ATOM 641 CB GLN A 40 13.655 -3.877 6.053 1.00 0.00 C ATOM 642 CG GLN A 40 14.399 -5.203 6.053 1.00 0.00 C ATOM 643 CD GLN A 40 14.588 -5.766 4.658 1.00 0.00 C ATOM 644 OE1 GLN A 40 13.933 -6.735 4.273 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.487 -5.160 3.891 1.00 0.00 N ATOM 0 H GLN A 40 12.110 -2.032 6.766 1.00 0.00 H new ATOM 0 HA GLN A 40 11.772 -4.434 5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.914 -3.325 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.994 -3.280 6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.374 -5.068 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.850 -5.923 6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.008 -4.360 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.657 -5.495 2.943 1.00 0.00 H new ATOM 654 N ASN A 41 11.931 -4.554 8.485 1.00 0.00 N ATOM 655 CA ASN A 41 11.613 -5.382 9.642 1.00 0.00 C ATOM 656 C ASN A 41 10.888 -4.569 10.710 1.00 0.00 C ATOM 657 O ASN A 41 10.729 -3.356 10.578 1.00 0.00 O ATOM 658 CB ASN A 41 12.889 -5.991 10.226 1.00 0.00 C ATOM 659 CG ASN A 41 14.071 -5.043 10.146 1.00 0.00 C ATOM 660 OD1 ASN A 41 14.994 -5.250 9.358 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.047 -3.997 10.964 1.00 0.00 N ATOM 0 H ASN A 41 12.287 -3.626 8.715 1.00 0.00 H new ATOM 0 HA ASN A 41 10.954 -6.185 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.715 -6.263 11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.127 -6.911 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.814 -3.325 10.955 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.261 -3.865 11.601 1.00 0.00 H new ATOM 668 N GLU A 42 10.453 -5.246 11.768 1.00 0.00 N ATOM 669 CA GLU A 42 9.745 -4.586 12.858 1.00 0.00 C ATOM 670 C GLU A 42 10.581 -4.596 14.135 1.00 0.00 C ATOM 671 O GLU A 42 10.044 -4.645 15.241 1.00 0.00 O ATOM 672 CB GLU A 42 8.400 -5.270 13.112 1.00 0.00 C ATOM 673 CG GLU A 42 8.488 -6.786 13.163 1.00 0.00 C ATOM 674 CD GLU A 42 7.180 -7.433 13.572 1.00 0.00 C ATOM 675 OE1 GLU A 42 6.329 -7.662 12.687 1.00 0.00 O ATOM 676 OE2 GLU A 42 7.005 -7.710 14.777 1.00 0.00 O ATOM 0 H GLU A 42 10.578 -6.250 11.893 1.00 0.00 H new ATOM 0 HA GLU A 42 9.569 -3.551 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.989 -4.906 14.054 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.701 -4.981 12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.784 -7.162 12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.268 -7.077 13.866 1.00 0.00 H new ATOM 683 N SER A 43 11.900 -4.550 13.972 1.00 0.00 N ATOM 684 CA SER A 43 12.811 -4.558 15.110 1.00 0.00 C ATOM 685 C SER A 43 13.424 -3.178 15.325 1.00 0.00 C ATOM 686 O SER A 43 14.626 -3.048 15.552 1.00 0.00 O ATOM 687 CB SER A 43 13.919 -5.592 14.895 1.00 0.00 C ATOM 688 OG SER A 43 14.699 -5.275 13.755 1.00 0.00 O ATOM 0 H SER A 43 12.361 -4.507 13.063 1.00 0.00 H new ATOM 0 HA SER A 43 12.240 -4.826 15.999 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.558 -5.633 15.777 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.479 -6.582 14.774 1.00 0.00 H new ATOM 0 HG SER A 43 15.400 -5.950 13.641 1.00 0.00 H new ATOM 694 N GLY A 44 12.587 -2.147 15.252 1.00 0.00 N ATOM 695 CA GLY A 44 13.063 -0.790 15.441 1.00 0.00 C ATOM 696 C GLY A 44 14.207 -0.442 14.510 1.00 0.00 C ATOM 697 O GLY A 44 15.366 -0.736 14.802 1.00 0.00 O ATOM 0 H GLY A 44 11.588 -2.228 15.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.241 -0.094 15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.387 -0.663 16.474 1.00 0.00 H new ATOM 701 N SER A 45 13.882 0.186 13.384 1.00 0.00 N ATOM 702 CA SER A 45 14.891 0.569 12.403 1.00 0.00 C ATOM 703 C SER A 45 14.353 1.643 11.462 1.00 0.00 C ATOM 704 O SER A 45 13.153 1.915 11.433 1.00 0.00 O ATOM 705 CB SER A 45 15.341 -0.652 11.599 1.00 0.00 C ATOM 706 OG SER A 45 16.318 -1.397 12.306 1.00 0.00 O ATOM 0 H SER A 45 12.928 0.440 13.129 1.00 0.00 H new ATOM 0 HA SER A 45 15.748 0.977 12.939 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.481 -1.286 11.383 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.748 -0.330 10.640 1.00 0.00 H new ATOM 0 HG SER A 45 16.228 -1.226 13.267 1.00 0.00 H new ATOM 712 N LYS A 46 15.251 2.249 10.692 1.00 0.00 N ATOM 713 CA LYS A 46 14.869 3.292 9.748 1.00 0.00 C ATOM 714 C LYS A 46 14.044 2.714 8.603 1.00 0.00 C ATOM 715 O LYS A 46 14.255 1.575 8.187 1.00 0.00 O ATOM 716 CB LYS A 46 16.115 3.987 9.193 1.00 0.00 C ATOM 717 CG LYS A 46 15.819 5.307 8.503 1.00 0.00 C ATOM 718 CD LYS A 46 15.692 6.443 9.505 1.00 0.00 C ATOM 719 CE LYS A 46 15.515 7.783 8.808 1.00 0.00 C ATOM 720 NZ LYS A 46 16.064 8.906 9.617 1.00 0.00 N ATOM 0 H LYS A 46 16.248 2.035 10.704 1.00 0.00 H new ATOM 0 HA LYS A 46 14.259 4.023 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.816 4.162 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.608 3.320 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.614 5.534 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.896 5.220 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.841 6.258 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.580 6.474 10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.013 7.757 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.456 7.956 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.924 9.802 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.572 8.948 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.080 8.754 9.777 1.00 0.00 H new ATOM 734 N TYR A 47 13.106 3.507 8.097 1.00 0.00 N ATOM 735 CA TYR A 47 12.249 3.073 7.000 1.00 0.00 C ATOM 736 C TYR A 47 13.079 2.675 5.784 1.00 0.00 C ATOM 737 O TYR A 47 14.221 3.109 5.628 1.00 0.00 O ATOM 738 CB TYR A 47 11.269 4.185 6.620 1.00 0.00 C ATOM 739 CG TYR A 47 11.931 5.379 5.970 1.00 0.00 C ATOM 740 CD1 TYR A 47 12.596 6.331 6.733 1.00 0.00 C ATOM 741 CD2 TYR A 47 11.892 5.555 4.592 1.00 0.00 C ATOM 742 CE1 TYR A 47 13.201 7.423 6.143 1.00 0.00 C ATOM 743 CE2 TYR A 47 12.496 6.643 3.994 1.00 0.00 C ATOM 744 CZ TYR A 47 13.149 7.575 4.773 1.00 0.00 C ATOM 745 OH TYR A 47 13.751 8.662 4.182 1.00 0.00 O ATOM 0 H TYR A 47 12.920 4.453 8.429 1.00 0.00 H new ATOM 0 HA TYR A 47 11.688 2.201 7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.520 3.781 5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.742 4.515 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.640 6.215 7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.380 4.828 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.712 8.154 6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.457 6.764 2.921 1.00 0.00 H new ATOM 0 HH TYR A 47 13.623 8.619 3.211 1.00 0.00 H new ATOM 755 N TYR A 48 12.498 1.845 4.925 1.00 0.00 N ATOM 756 CA TYR A 48 13.183 1.385 3.723 1.00 0.00 C ATOM 757 C TYR A 48 12.911 2.321 2.549 1.00 0.00 C ATOM 758 O TYR A 48 13.833 2.747 1.853 1.00 0.00 O ATOM 759 CB TYR A 48 12.740 -0.036 3.370 1.00 0.00 C ATOM 760 CG TYR A 48 12.847 -0.355 1.896 1.00 0.00 C ATOM 761 CD1 TYR A 48 14.029 -0.130 1.201 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.766 -0.879 1.198 1.00 0.00 C ATOM 763 CE1 TYR A 48 14.131 -0.419 -0.146 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.860 -1.173 -0.148 1.00 0.00 C ATOM 765 CZ TYR A 48 13.044 -0.941 -0.816 1.00 0.00 C ATOM 766 OH TYR A 48 13.141 -1.231 -2.158 1.00 0.00 O ATOM 0 H TYR A 48 11.554 1.477 5.039 1.00 0.00 H new ATOM 0 HA TYR A 48 14.254 1.385 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.346 -0.747 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.707 -0.175 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.882 0.278 1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.836 -1.059 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.057 -0.237 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.011 -1.582 -0.675 1.00 0.00 H new ATOM 0 HH TYR A 48 12.288 -1.592 -2.477 1.00 0.00 H new ATOM 776 N LYS A 49 11.639 2.638 2.336 1.00 0.00 N ATOM 777 CA LYS A 49 11.243 3.525 1.249 1.00 0.00 C ATOM 778 C LYS A 49 9.977 4.296 1.609 1.00 0.00 C ATOM 779 O LYS A 49 9.328 4.005 2.614 1.00 0.00 O ATOM 780 CB LYS A 49 11.016 2.722 -0.034 1.00 0.00 C ATOM 781 CG LYS A 49 12.292 2.441 -0.809 1.00 0.00 C ATOM 782 CD LYS A 49 12.014 2.255 -2.292 1.00 0.00 C ATOM 783 CE LYS A 49 11.887 3.592 -3.007 1.00 0.00 C ATOM 784 NZ LYS A 49 13.211 4.247 -3.197 1.00 0.00 N ATOM 0 H LYS A 49 10.864 2.294 2.902 1.00 0.00 H new ATOM 0 HA LYS A 49 12.049 4.241 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.539 1.775 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.323 3.266 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.992 3.265 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.770 1.545 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.818 1.674 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.095 1.683 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.414 3.442 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.235 4.250 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.109 5.055 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.568 4.582 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.882 3.563 -3.601 1.00 0.00 H new ATOM 798 N GLU A 50 9.631 5.277 0.782 1.00 0.00 N ATOM 799 CA GLU A 50 8.442 6.089 1.015 1.00 0.00 C ATOM 800 C GLU A 50 7.745 6.423 -0.301 1.00 0.00 C ATOM 801 O GLU A 50 8.392 6.785 -1.284 1.00 0.00 O ATOM 802 CB GLU A 50 8.813 7.378 1.750 1.00 0.00 C ATOM 803 CG GLU A 50 10.004 8.102 1.145 1.00 0.00 C ATOM 804 CD GLU A 50 9.940 9.603 1.350 1.00 0.00 C ATOM 805 OE1 GLU A 50 10.322 10.071 2.443 1.00 0.00 O ATOM 806 OE2 GLU A 50 9.507 10.311 0.416 1.00 0.00 O ATOM 0 H GLU A 50 10.157 5.529 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 50 7.755 5.512 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.953 8.047 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.032 7.142 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.922 7.717 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.051 7.887 0.078 1.00 0.00 H new ATOM 813 N ILE A 51 6.422 6.297 -0.311 1.00 0.00 N ATOM 814 CA ILE A 51 5.637 6.586 -1.505 1.00 0.00 C ATOM 815 C ILE A 51 4.498 7.551 -1.194 1.00 0.00 C ATOM 816 O ILE A 51 3.409 7.152 -0.780 1.00 0.00 O ATOM 817 CB ILE A 51 5.053 5.301 -2.119 1.00 0.00 C ATOM 818 CG1 ILE A 51 6.141 4.232 -2.251 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.428 5.598 -3.474 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.599 2.821 -2.304 1.00 0.00 C ATOM 0 H ILE A 51 5.872 5.997 0.494 1.00 0.00 H new ATOM 0 HA ILE A 51 6.314 7.047 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 51 4.275 4.921 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.720 4.424 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.827 4.318 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.019 4.680 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.628 6.329 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.188 5.999 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.426 2.117 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.044 2.610 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.936 2.718 -3.163 1.00 0.00 H new ATOM 832 N PRO A 52 4.752 8.852 -1.399 1.00 0.00 N ATOM 833 CA PRO A 52 3.759 9.901 -1.149 1.00 0.00 C ATOM 834 C PRO A 52 2.613 9.866 -2.154 1.00 0.00 C ATOM 835 O PRO A 52 2.830 9.681 -3.353 1.00 0.00 O ATOM 836 CB PRO A 52 4.564 11.194 -1.301 1.00 0.00 C ATOM 837 CG PRO A 52 5.696 10.833 -2.200 1.00 0.00 C ATOM 838 CD PRO A 52 6.027 9.399 -1.891 1.00 0.00 C ATOM 0 HA PRO A 52 3.285 9.790 -0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.956 11.990 -1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.923 11.552 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.417 10.952 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.556 11.479 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.377 8.868 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.814 9.321 -1.141 1.00 0.00 H new ATOM 846 N LEU A 53 1.393 10.044 -1.660 1.00 0.00 N ATOM 847 CA LEU A 53 0.211 10.032 -2.515 1.00 0.00 C ATOM 848 C LEU A 53 0.501 10.706 -3.853 1.00 0.00 C ATOM 849 O LEU A 53 -0.053 10.325 -4.884 1.00 0.00 O ATOM 850 CB LEU A 53 -0.954 10.737 -1.818 1.00 0.00 C ATOM 851 CG LEU A 53 -1.304 10.231 -0.418 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.421 11.066 0.188 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.700 8.762 -0.466 1.00 0.00 C ATOM 0 H LEU A 53 1.196 10.198 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.061 8.993 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.722 11.800 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.839 10.643 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.421 10.329 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.656 10.691 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.101 12.106 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.307 11.001 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.946 8.418 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.568 8.640 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.870 8.174 -0.858 1.00 0.00 H new ATOM 865 N SER A 54 1.375 11.707 -3.828 1.00 0.00 N ATOM 866 CA SER A 54 1.737 12.435 -5.039 1.00 0.00 C ATOM 867 C SER A 54 2.473 11.526 -6.019 1.00 0.00 C ATOM 868 O SER A 54 2.182 11.522 -7.215 1.00 0.00 O ATOM 869 CB SER A 54 2.611 13.642 -4.691 1.00 0.00 C ATOM 870 OG SER A 54 2.743 14.513 -5.801 1.00 0.00 O ATOM 0 H SER A 54 1.845 12.032 -2.983 1.00 0.00 H new ATOM 0 HA SER A 54 0.819 12.784 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.173 14.182 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.596 13.302 -4.373 1.00 0.00 H new ATOM 0 HG SER A 54 3.305 15.277 -5.553 1.00 0.00 H new ATOM 876 N GLU A 55 3.427 10.758 -5.502 1.00 0.00 N ATOM 877 CA GLU A 55 4.205 9.846 -6.332 1.00 0.00 C ATOM 878 C GLU A 55 3.294 9.028 -7.243 1.00 0.00 C ATOM 879 O GLU A 55 3.511 8.956 -8.453 1.00 0.00 O ATOM 880 CB GLU A 55 5.041 8.911 -5.455 1.00 0.00 C ATOM 881 CG GLU A 55 6.339 8.465 -6.107 1.00 0.00 C ATOM 882 CD GLU A 55 6.128 7.383 -7.148 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.590 6.314 -6.790 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.500 7.604 -8.319 1.00 0.00 O ATOM 0 H GLU A 55 3.679 10.749 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 55 4.872 10.442 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.270 9.415 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.447 8.031 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.820 9.324 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.019 8.097 -5.339 1.00 0.00 H new ATOM 891 N ILE A 56 2.275 8.412 -6.652 1.00 0.00 N ATOM 892 CA ILE A 56 1.331 7.600 -7.410 1.00 0.00 C ATOM 893 C ILE A 56 0.471 8.465 -8.324 1.00 0.00 C ATOM 894 O ILE A 56 0.103 9.587 -7.970 1.00 0.00 O ATOM 895 CB ILE A 56 0.413 6.787 -6.477 1.00 0.00 C ATOM 896 CG1 ILE A 56 1.248 5.961 -5.497 1.00 0.00 C ATOM 897 CG2 ILE A 56 -0.503 5.886 -7.291 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.446 5.400 -4.344 1.00 0.00 C ATOM 0 H ILE A 56 2.082 8.460 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 56 1.921 6.912 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.204 7.479 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.718 5.139 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.051 6.583 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.146 5.318 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.119 6.495 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.098 5.198 -7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.102 4.826 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.003 6.218 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.340 4.751 -4.729 1.00 0.00 H new ATOM 910 N LEU A 57 0.151 7.937 -9.500 1.00 0.00 N ATOM 911 CA LEU A 57 -0.669 8.661 -10.466 1.00 0.00 C ATOM 912 C LEU A 57 -2.103 8.143 -10.459 1.00 0.00 C ATOM 913 O LEU A 57 -3.048 8.904 -10.249 1.00 0.00 O ATOM 914 CB LEU A 57 -0.074 8.530 -11.869 1.00 0.00 C ATOM 915 CG LEU A 57 1.400 8.912 -12.012 1.00 0.00 C ATOM 916 CD1 LEU A 57 2.010 8.238 -13.231 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.552 10.423 -12.103 1.00 0.00 C ATOM 0 H LEU A 57 0.446 7.011 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.681 9.713 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.195 7.498 -12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.657 9.151 -12.549 1.00 0.00 H new ATOM 0 HG LEU A 57 1.933 8.566 -11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.059 8.521 -13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.934 7.156 -13.125 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.475 8.553 -14.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.607 10.677 -12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.005 10.792 -12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.153 10.884 -11.199 1.00 0.00 H new ATOM 929 N ARG A 58 -2.258 6.843 -10.687 1.00 0.00 N ATOM 930 CA ARG A 58 -3.578 6.222 -10.706 1.00 0.00 C ATOM 931 C ARG A 58 -3.464 4.701 -10.654 1.00 0.00 C ATOM 932 O ARG A 58 -2.364 4.150 -10.687 1.00 0.00 O ATOM 933 CB ARG A 58 -4.345 6.645 -11.959 1.00 0.00 C ATOM 934 CG ARG A 58 -5.852 6.688 -11.765 1.00 0.00 C ATOM 935 CD ARG A 58 -6.524 7.562 -12.813 1.00 0.00 C ATOM 936 NE ARG A 58 -7.881 7.937 -12.425 1.00 0.00 N ATOM 937 CZ ARG A 58 -8.782 8.420 -13.273 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.471 8.585 -14.552 1.00 0.00 N ATOM 939 NH2 ARG A 58 -9.996 8.738 -12.844 1.00 0.00 N ATOM 0 H ARG A 58 -1.486 6.199 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.123 6.558 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.999 7.630 -12.271 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.111 5.954 -12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.256 5.677 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.081 7.070 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.930 8.462 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.553 7.030 -13.764 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.152 7.822 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.539 8.341 -14.886 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.164 8.956 -15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.239 8.612 -11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.687 9.109 -13.497 1.00 0.00 H new ATOM 953 N ILE A 59 -4.608 4.031 -10.572 1.00 0.00 N ATOM 954 CA ILE A 59 -4.637 2.574 -10.516 1.00 0.00 C ATOM 955 C ILE A 59 -4.868 1.976 -11.900 1.00 0.00 C ATOM 956 O ILE A 59 -5.468 2.608 -12.769 1.00 0.00 O ATOM 957 CB ILE A 59 -5.734 2.069 -9.561 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.485 2.587 -8.143 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.788 0.549 -9.573 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.205 2.067 -7.526 1.00 0.00 C ATOM 0 H ILE A 59 -5.527 4.473 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.665 2.253 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.696 2.450 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.453 3.676 -8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.325 2.305 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.568 0.207 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.008 0.201 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.826 0.148 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.093 2.475 -6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.242 0.979 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.356 2.372 -8.138 1.00 0.00 H new ATOM 972 N SER A 60 -4.389 0.751 -12.096 1.00 0.00 N ATOM 973 CA SER A 60 -4.541 0.067 -13.375 1.00 0.00 C ATOM 974 C SER A 60 -5.978 -0.408 -13.569 1.00 0.00 C ATOM 975 O SER A 60 -6.778 -0.397 -12.634 1.00 0.00 O ATOM 976 CB SER A 60 -3.582 -1.122 -13.458 1.00 0.00 C ATOM 977 OG SER A 60 -3.384 -1.524 -14.802 1.00 0.00 O ATOM 0 H SER A 60 -3.893 0.213 -11.386 1.00 0.00 H new ATOM 0 HA SER A 60 -4.301 0.774 -14.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.625 -0.853 -13.011 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.981 -1.956 -12.881 1.00 0.00 H new ATOM 0 HG SER A 60 -2.699 -2.224 -14.837 1.00 0.00 H new ATOM 983 N SER A 61 -6.296 -0.825 -14.790 1.00 0.00 N ATOM 984 CA SER A 61 -7.637 -1.301 -15.109 1.00 0.00 C ATOM 985 C SER A 61 -7.713 -2.822 -15.004 1.00 0.00 C ATOM 986 O SER A 61 -6.702 -3.523 -15.028 1.00 0.00 O ATOM 987 CB SER A 61 -8.038 -0.856 -16.517 1.00 0.00 C ATOM 988 OG SER A 61 -8.684 0.405 -16.489 1.00 0.00 O ATOM 0 H SER A 61 -5.644 -0.843 -15.574 1.00 0.00 H new ATOM 0 HA SER A 61 -8.330 -0.869 -14.387 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.152 -0.800 -17.150 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.701 -1.598 -16.961 1.00 0.00 H new ATOM 0 HG SER A 61 -8.929 0.668 -17.401 1.00 0.00 H new ATOM 994 N PRO A 62 -8.943 -3.344 -14.884 1.00 0.00 N ATOM 995 CA PRO A 62 -9.182 -4.786 -14.772 1.00 0.00 C ATOM 996 C PRO A 62 -8.889 -5.525 -16.074 1.00 0.00 C ATOM 997 O PRO A 62 -8.873 -6.755 -16.110 1.00 0.00 O ATOM 998 CB PRO A 62 -10.672 -4.873 -14.432 1.00 0.00 C ATOM 999 CG PRO A 62 -11.260 -3.620 -14.983 1.00 0.00 C ATOM 1000 CD PRO A 62 -10.194 -2.568 -14.848 1.00 0.00 C ATOM 0 HA PRO A 62 -8.533 -5.250 -14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.129 -5.755 -14.880 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.829 -4.944 -13.356 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.550 -3.750 -16.026 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.159 -3.337 -14.435 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.240 -1.842 -15.660 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.295 -2.011 -13.917 1.00 0.00 H new ATOM 1008 N ARG A 63 -8.656 -4.766 -17.140 1.00 0.00 N ATOM 1009 CA ARG A 63 -8.364 -5.349 -18.444 1.00 0.00 C ATOM 1010 C ARG A 63 -7.119 -6.230 -18.379 1.00 0.00 C ATOM 1011 O ARG A 63 -7.010 -7.222 -19.099 1.00 0.00 O ATOM 1012 CB ARG A 63 -8.169 -4.248 -19.487 1.00 0.00 C ATOM 1013 CG ARG A 63 -8.085 -4.767 -20.913 1.00 0.00 C ATOM 1014 CD ARG A 63 -9.467 -4.959 -21.518 1.00 0.00 C ATOM 1015 NE ARG A 63 -9.410 -5.148 -22.965 1.00 0.00 N ATOM 1016 CZ ARG A 63 -10.446 -4.951 -23.773 1.00 0.00 C ATOM 1017 NH1 ARG A 63 -11.612 -4.560 -23.278 1.00 0.00 N ATOM 1018 NH2 ARG A 63 -10.315 -5.143 -25.079 1.00 0.00 N ATOM 0 H ARG A 63 -8.664 -3.746 -17.126 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.212 -5.969 -18.735 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.995 -3.541 -19.415 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.257 -3.698 -19.256 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.514 -4.067 -21.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.546 -5.714 -20.925 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.947 -5.823 -21.058 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.086 -4.091 -21.290 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.527 -5.448 -23.378 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.715 -4.410 -22.274 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.406 -4.409 -23.901 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.419 -5.442 -25.463 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.111 -4.992 -25.699 1.00 0.00 H new ATOM 1032 N ASP A 64 -6.183 -5.859 -17.512 1.00 0.00 N ATOM 1033 CA ASP A 64 -4.946 -6.614 -17.353 1.00 0.00 C ATOM 1034 C ASP A 64 -5.233 -8.030 -16.863 1.00 0.00 C ATOM 1035 O ASP A 64 -5.570 -8.238 -15.697 1.00 0.00 O ATOM 1036 CB ASP A 64 -4.011 -5.902 -16.374 1.00 0.00 C ATOM 1037 CG ASP A 64 -2.558 -6.281 -16.581 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -2.222 -6.761 -17.684 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -1.757 -6.099 -15.640 1.00 0.00 O ATOM 0 H ASP A 64 -6.258 -5.040 -16.909 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.460 -6.677 -18.327 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.122 -4.824 -16.489 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.305 -6.146 -15.353 1.00 0.00 H new ATOM 1044 N PHE A 65 -5.098 -9.000 -17.761 1.00 0.00 N ATOM 1045 CA PHE A 65 -5.346 -10.396 -17.420 1.00 0.00 C ATOM 1046 C PHE A 65 -4.187 -11.280 -17.875 1.00 0.00 C ATOM 1047 O PHE A 65 -4.392 -12.318 -18.505 1.00 0.00 O ATOM 1048 CB PHE A 65 -6.650 -10.876 -18.061 1.00 0.00 C ATOM 1049 CG PHE A 65 -7.873 -10.210 -17.501 1.00 0.00 C ATOM 1050 CD1 PHE A 65 -8.192 -10.334 -16.158 1.00 0.00 C ATOM 1051 CD2 PHE A 65 -8.705 -9.460 -18.317 1.00 0.00 C ATOM 1052 CE1 PHE A 65 -9.318 -9.722 -15.640 1.00 0.00 C ATOM 1053 CE2 PHE A 65 -9.832 -8.846 -17.804 1.00 0.00 C ATOM 1054 CZ PHE A 65 -10.139 -8.976 -16.464 1.00 0.00 C ATOM 0 H PHE A 65 -4.818 -8.845 -18.730 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.434 -10.470 -16.336 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.606 -10.694 -19.135 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.738 -11.954 -17.924 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.554 -10.915 -15.509 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.470 -9.354 -19.366 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.556 -9.827 -14.592 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.472 -8.265 -18.451 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.018 -8.496 -16.061 1.00 0.00 H new ATOM 1064 N THR A 66 -2.968 -10.861 -17.550 1.00 0.00 N ATOM 1065 CA THR A 66 -1.777 -11.611 -17.925 1.00 0.00 C ATOM 1066 C THR A 66 -1.112 -12.234 -16.703 1.00 0.00 C ATOM 1067 O THR A 66 -0.073 -12.884 -16.813 1.00 0.00 O ATOM 1068 CB THR A 66 -0.755 -10.717 -18.651 1.00 0.00 C ATOM 1069 OG1 THR A 66 0.442 -11.457 -18.919 1.00 0.00 O ATOM 1070 CG2 THR A 66 -0.421 -9.489 -17.817 1.00 0.00 C ATOM 0 H THR A 66 -2.780 -10.005 -17.027 1.00 0.00 H new ATOM 0 HA THR A 66 -2.102 -12.402 -18.601 1.00 0.00 H new ATOM 0 HB THR A 66 -1.197 -10.389 -19.592 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.432 -12.293 -18.407 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.303 -8.873 -18.350 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.328 -8.912 -17.640 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.002 -9.802 -16.862 1.00 0.00 H new ATOM 1078 N ASN A 67 -1.718 -12.031 -15.537 1.00 0.00 N ATOM 1079 CA ASN A 67 -1.183 -12.573 -14.293 1.00 0.00 C ATOM 1080 C ASN A 67 -2.104 -13.652 -13.730 1.00 0.00 C ATOM 1081 O ASN A 67 -2.339 -13.713 -12.523 1.00 0.00 O ATOM 1082 CB ASN A 67 -0.998 -11.456 -13.264 1.00 0.00 C ATOM 1083 CG ASN A 67 -2.000 -10.332 -13.443 1.00 0.00 C ATOM 1084 OD1 ASN A 67 -3.175 -10.572 -13.724 1.00 0.00 O ATOM 1085 ND2 ASN A 67 -1.539 -9.098 -13.282 1.00 0.00 N ATOM 0 H ASN A 67 -2.579 -11.495 -15.428 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.214 -13.023 -14.508 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.097 -11.870 -12.261 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.012 -11.055 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.166 -8.301 -13.391 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.557 -8.947 -13.049 1.00 0.00 H new ATOM 1092 N ILE A 68 -2.621 -14.500 -14.613 1.00 0.00 N ATOM 1093 CA ILE A 68 -3.514 -15.576 -14.204 1.00 0.00 C ATOM 1094 C ILE A 68 -2.871 -16.940 -14.430 1.00 0.00 C ATOM 1095 O ILE A 68 -3.457 -17.975 -14.113 1.00 0.00 O ATOM 1096 CB ILE A 68 -4.851 -15.519 -14.966 1.00 0.00 C ATOM 1097 CG1 ILE A 68 -4.605 -15.564 -16.476 1.00 0.00 C ATOM 1098 CG2 ILE A 68 -5.624 -14.265 -14.587 1.00 0.00 C ATOM 1099 CD1 ILE A 68 -5.849 -15.862 -17.282 1.00 0.00 C ATOM 0 H ILE A 68 -2.437 -14.462 -15.615 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.706 -15.439 -13.140 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.448 -16.388 -14.688 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.194 -14.607 -16.798 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.852 -16.323 -16.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.566 -14.239 -15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.826 -14.272 -13.516 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.034 -13.384 -14.839 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.600 -15.878 -18.343 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.249 -16.832 -16.988 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.596 -15.090 -17.097 1.00 0.00 H new ATOM 1111 N SER A 69 -1.660 -16.933 -14.979 1.00 0.00 N ATOM 1112 CA SER A 69 -0.937 -18.170 -15.249 1.00 0.00 C ATOM 1113 C SER A 69 -0.961 -19.091 -14.033 1.00 0.00 C ATOM 1114 O SER A 69 -1.481 -18.729 -12.978 1.00 0.00 O ATOM 1115 CB SER A 69 0.510 -17.864 -15.642 1.00 0.00 C ATOM 1116 OG SER A 69 0.563 -17.079 -16.821 1.00 0.00 O ATOM 0 H SER A 69 -1.160 -16.085 -15.245 1.00 0.00 H new ATOM 0 HA SER A 69 -1.432 -18.677 -16.077 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.008 -17.337 -14.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.053 -18.796 -15.797 1.00 0.00 H new ATOM 0 HG SER A 69 1.498 -16.896 -17.050 1.00 0.00 H new ATOM 1122 N GLN A 70 -0.395 -20.283 -14.190 1.00 0.00 N ATOM 1123 CA GLN A 70 -0.352 -21.257 -13.106 1.00 0.00 C ATOM 1124 C GLN A 70 -0.199 -20.563 -11.757 1.00 0.00 C ATOM 1125 O GLN A 70 0.895 -20.141 -11.385 1.00 0.00 O ATOM 1126 CB GLN A 70 0.799 -22.241 -13.320 1.00 0.00 C ATOM 1127 CG GLN A 70 0.719 -23.474 -12.435 1.00 0.00 C ATOM 1128 CD GLN A 70 2.061 -24.157 -12.263 1.00 0.00 C ATOM 1129 OE1 GLN A 70 2.703 -24.545 -13.239 1.00 0.00 O ATOM 1130 NE2 GLN A 70 2.493 -24.308 -11.016 1.00 0.00 N ATOM 0 H GLN A 70 0.040 -20.598 -15.057 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.294 -21.806 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.809 -22.554 -14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.743 -21.729 -13.131 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.332 -23.190 -11.456 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.009 -24.180 -12.865 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.928 -23.971 -10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.390 -24.761 -10.838 1.00 0.00 H new ATOM 1139 N GLY A 71 -1.305 -20.447 -11.027 1.00 0.00 N ATOM 1140 CA GLY A 71 -1.271 -19.802 -9.727 1.00 0.00 C ATOM 1141 C GLY A 71 -2.572 -19.098 -9.396 1.00 0.00 C ATOM 1142 O GLY A 71 -2.913 -18.088 -10.013 1.00 0.00 O ATOM 0 H GLY A 71 -2.223 -20.788 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.059 -20.547 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.455 -19.080 -9.704 1.00 0.00 H new ATOM 1146 N SER A 72 -3.301 -19.631 -8.421 1.00 0.00 N ATOM 1147 CA SER A 72 -4.574 -19.050 -8.013 1.00 0.00 C ATOM 1148 C SER A 72 -4.357 -17.889 -7.047 1.00 0.00 C ATOM 1149 O SER A 72 -5.011 -17.799 -6.010 1.00 0.00 O ATOM 1150 CB SER A 72 -5.458 -20.113 -7.358 1.00 0.00 C ATOM 1151 OG SER A 72 -5.617 -21.237 -8.207 1.00 0.00 O ATOM 0 H SER A 72 -3.031 -20.465 -7.899 1.00 0.00 H new ATOM 0 HA SER A 72 -5.073 -18.671 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.015 -20.427 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.434 -19.687 -7.127 1.00 0.00 H new ATOM 0 HG SER A 72 -6.184 -21.903 -7.765 1.00 0.00 H new ATOM 1157 N ASN A 73 -3.432 -17.001 -7.398 1.00 0.00 N ATOM 1158 CA ASN A 73 -3.127 -15.845 -6.563 1.00 0.00 C ATOM 1159 C ASN A 73 -3.056 -14.572 -7.402 1.00 0.00 C ATOM 1160 O ASN A 73 -1.982 -14.031 -7.665 1.00 0.00 O ATOM 1161 CB ASN A 73 -1.803 -16.057 -5.826 1.00 0.00 C ATOM 1162 CG ASN A 73 -1.605 -17.498 -5.396 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -1.819 -18.426 -6.177 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -1.195 -17.692 -4.148 1.00 0.00 N ATOM 0 H ASN A 73 -2.881 -17.060 -8.254 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.928 -15.734 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.978 -15.757 -6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.771 -15.411 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.045 -18.640 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.030 -16.893 -3.535 1.00 0.00 H new ATOM 1171 N PRO A 74 -4.228 -14.081 -7.831 1.00 0.00 N ATOM 1172 CA PRO A 74 -4.327 -12.865 -8.644 1.00 0.00 C ATOM 1173 C PRO A 74 -3.978 -11.609 -7.854 1.00 0.00 C ATOM 1174 O PRO A 74 -3.457 -11.688 -6.741 1.00 0.00 O ATOM 1175 CB PRO A 74 -5.798 -12.839 -9.066 1.00 0.00 C ATOM 1176 CG PRO A 74 -6.509 -13.611 -8.009 1.00 0.00 C ATOM 1177 CD PRO A 74 -5.548 -14.673 -7.554 1.00 0.00 C ATOM 0 HA PRO A 74 -3.629 -12.877 -9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.173 -11.818 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.936 -13.292 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.797 -12.964 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.425 -14.055 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.672 -14.900 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.692 -15.606 -8.099 1.00 0.00 H new ATOM 1185 N HIS A 75 -4.268 -10.449 -8.435 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.985 -9.175 -7.784 1.00 0.00 C ATOM 1187 C HIS A 75 -5.255 -8.340 -7.650 1.00 0.00 C ATOM 1188 O HIS A 75 -6.116 -8.356 -8.531 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.930 -8.398 -8.572 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.440 -7.838 -9.864 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -3.892 -8.627 -10.901 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.570 -6.558 -10.284 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -4.276 -7.857 -11.903 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -4.091 -6.596 -11.554 1.00 0.00 N ATOM 0 H HIS A 75 -4.699 -10.365 -9.356 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.601 -9.383 -6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.555 -7.582 -7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.085 -9.055 -8.779 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.312 -5.671 -9.724 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.674 -8.200 -12.847 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.301 -5.783 -12.133 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.365 -7.612 -6.545 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.530 -6.771 -6.295 1.00 0.00 C ATOM 1205 C CYS A 76 -6.437 -5.466 -7.078 1.00 0.00 C ATOM 1206 O CYS A 76 -7.383 -5.068 -7.758 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.661 -6.476 -4.800 1.00 0.00 C ATOM 1208 SG CYS A 76 -5.101 -6.048 -3.993 1.00 0.00 S ATOM 0 H CYS A 76 -4.661 -7.587 -5.807 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.416 -7.311 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.366 -5.656 -4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.087 -7.348 -4.304 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.879 -4.774 -4.126 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.290 -4.802 -6.976 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.073 -3.539 -7.672 1.00 0.00 C ATOM 1216 C PHE A 77 -3.594 -3.341 -7.992 1.00 0.00 C ATOM 1217 O PHE A 77 -2.750 -4.141 -7.591 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.584 -2.371 -6.825 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.840 -2.198 -5.532 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.183 -2.942 -4.415 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.798 -1.290 -5.433 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.501 -2.785 -3.223 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.111 -1.129 -4.245 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.464 -1.877 -3.138 1.00 0.00 C ATOM 0 H PHE A 77 -4.497 -5.118 -6.418 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.628 -3.570 -8.609 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.507 -1.451 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.641 -2.525 -6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.993 -3.653 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.520 -0.701 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.779 -3.371 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.299 -0.419 -4.182 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.930 -1.752 -2.208 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.290 -2.270 -8.718 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.914 -1.968 -9.093 1.00 0.00 C ATOM 1236 C GLU A 78 -1.602 -0.490 -8.874 1.00 0.00 C ATOM 1237 O GLU A 78 -2.454 0.373 -9.086 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.667 -2.341 -10.556 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.442 -3.567 -11.011 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.460 -3.719 -12.519 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.491 -3.278 -13.171 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.444 -4.278 -13.048 1.00 0.00 O ATOM 0 H GLU A 78 -3.978 -1.598 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.254 -2.559 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.937 -1.495 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.602 -2.520 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.000 -4.458 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.466 -3.502 -10.644 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.376 -0.207 -8.448 1.00 0.00 N ATOM 1250 CA ILE A 79 0.049 1.165 -8.201 1.00 0.00 C ATOM 1251 C ILE A 79 0.959 1.668 -9.316 1.00 0.00 C ATOM 1252 O ILE A 79 2.166 1.423 -9.305 1.00 0.00 O ATOM 1253 CB ILE A 79 0.787 1.292 -6.855 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.073 0.728 -5.722 1.00 0.00 C ATOM 1255 CG2 ILE A 79 1.145 2.746 -6.583 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.601 0.780 -4.369 1.00 0.00 C ATOM 0 H ILE A 79 0.341 -0.910 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.854 1.774 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 79 1.710 0.714 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.008 1.286 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.330 -0.306 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.666 2.820 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.791 3.117 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.235 3.344 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.066 0.364 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.522 0.199 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.833 1.815 -4.118 1.00 0.00 H new ATOM 1268 N ILE A 80 0.373 2.374 -10.277 1.00 0.00 N ATOM 1269 CA ILE A 80 1.131 2.915 -11.398 1.00 0.00 C ATOM 1270 C ILE A 80 1.873 4.186 -10.998 1.00 0.00 C ATOM 1271 O ILE A 80 1.265 5.240 -10.810 1.00 0.00 O ATOM 1272 CB ILE A 80 0.218 3.223 -12.599 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.331 1.926 -13.196 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.977 4.017 -13.652 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.555 1.402 -12.479 1.00 0.00 C ATOM 0 H ILE A 80 -0.625 2.585 -10.302 1.00 0.00 H new ATOM 0 HA ILE A 80 1.853 2.152 -11.688 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.622 3.826 -12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.578 2.094 -14.244 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.449 1.165 -13.170 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.318 4.227 -14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.324 4.956 -13.220 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.834 3.438 -13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.890 0.481 -12.956 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.308 1.202 -11.436 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.351 2.145 -12.527 1.00 0.00 H new ATOM 1287 N THR A 81 3.192 4.080 -10.871 1.00 0.00 N ATOM 1288 CA THR A 81 4.018 5.220 -10.495 1.00 0.00 C ATOM 1289 C THR A 81 4.976 5.600 -11.618 1.00 0.00 C ATOM 1290 O THR A 81 5.420 4.744 -12.384 1.00 0.00 O ATOM 1291 CB THR A 81 4.831 4.928 -9.219 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.762 3.868 -9.464 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.913 4.547 -8.068 1.00 0.00 C ATOM 0 H THR A 81 3.711 3.215 -11.023 1.00 0.00 H new ATOM 0 HA THR A 81 3.340 6.052 -10.303 1.00 0.00 H new ATOM 0 HB THR A 81 5.374 5.833 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.498 3.381 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.509 4.345 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.224 5.367 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.346 3.655 -8.335 1.00 0.00 H new ATOM 1301 N ASP A 82 5.291 6.887 -11.711 1.00 0.00 N ATOM 1302 CA ASP A 82 6.198 7.380 -12.740 1.00 0.00 C ATOM 1303 C ASP A 82 7.383 6.435 -12.919 1.00 0.00 C ATOM 1304 O ASP A 82 7.654 5.964 -14.024 1.00 0.00 O ATOM 1305 CB ASP A 82 6.697 8.781 -12.382 1.00 0.00 C ATOM 1306 CG ASP A 82 5.743 9.869 -12.835 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.576 9.856 -12.391 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.163 10.733 -13.633 1.00 0.00 O ATOM 0 H ASP A 82 4.931 7.608 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 82 5.649 7.427 -13.680 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.835 8.849 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.673 8.944 -12.840 1.00 0.00 H new ATOM 1313 N THR A 83 8.086 6.163 -11.824 1.00 0.00 N ATOM 1314 CA THR A 83 9.243 5.277 -11.860 1.00 0.00 C ATOM 1315 C THR A 83 8.915 3.974 -12.581 1.00 0.00 C ATOM 1316 O THR A 83 9.492 3.671 -13.625 1.00 0.00 O ATOM 1317 CB THR A 83 9.745 4.951 -10.440 1.00 0.00 C ATOM 1318 OG1 THR A 83 10.607 3.809 -10.476 1.00 0.00 O ATOM 1319 CG2 THR A 83 8.579 4.684 -9.501 1.00 0.00 C ATOM 0 H THR A 83 7.874 6.543 -10.902 1.00 0.00 H new ATOM 0 HA THR A 83 10.028 5.803 -12.404 1.00 0.00 H new ATOM 0 HB THR A 83 10.299 5.813 -10.068 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.923 3.609 -9.570 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.959 4.456 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.941 5.566 -9.453 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.000 3.838 -9.871 1.00 0.00 H new ATOM 1327 N MET A 84 7.986 3.209 -12.019 1.00 0.00 N ATOM 1328 CA MET A 84 7.580 1.940 -12.611 1.00 0.00 C ATOM 1329 C MET A 84 6.209 1.513 -12.097 1.00 0.00 C ATOM 1330 O MET A 84 5.675 2.105 -11.160 1.00 0.00 O ATOM 1331 CB MET A 84 8.614 0.855 -12.301 1.00 0.00 C ATOM 1332 CG MET A 84 9.691 0.720 -13.366 1.00 0.00 C ATOM 1333 SD MET A 84 10.801 -0.667 -13.058 1.00 0.00 S ATOM 1334 CE MET A 84 9.626 -1.963 -12.675 1.00 0.00 C ATOM 0 H MET A 84 7.500 3.446 -11.154 1.00 0.00 H new ATOM 0 HA MET A 84 7.517 2.075 -13.691 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.086 1.078 -11.344 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.103 -0.101 -12.189 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.219 0.594 -14.340 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.271 1.642 -13.410 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.145 -2.920 -12.618 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.150 -1.751 -11.718 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.867 -2.008 -13.456 1.00 0.00 H new ATOM 1344 N VAL A 85 5.644 0.482 -12.717 1.00 0.00 N ATOM 1345 CA VAL A 85 4.335 -0.024 -12.322 1.00 0.00 C ATOM 1346 C VAL A 85 4.465 -1.127 -11.278 1.00 0.00 C ATOM 1347 O VAL A 85 5.269 -2.048 -11.429 1.00 0.00 O ATOM 1348 CB VAL A 85 3.554 -0.568 -13.533 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.259 -1.225 -13.082 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.277 0.546 -14.531 1.00 0.00 C ATOM 0 H VAL A 85 6.073 -0.019 -13.495 1.00 0.00 H new ATOM 0 HA VAL A 85 3.787 0.815 -11.894 1.00 0.00 H new ATOM 0 HB VAL A 85 4.164 -1.324 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.721 -1.603 -13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.486 -2.051 -12.408 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.641 -0.492 -12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.725 0.144 -15.380 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.687 1.326 -14.051 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.221 0.967 -14.878 1.00 0.00 H new ATOM 1360 N TYR A 86 3.668 -1.029 -10.219 1.00 0.00 N ATOM 1361 CA TYR A 86 3.695 -2.018 -9.148 1.00 0.00 C ATOM 1362 C TYR A 86 2.370 -2.770 -9.067 1.00 0.00 C ATOM 1363 O TYR A 86 1.328 -2.260 -9.480 1.00 0.00 O ATOM 1364 CB TYR A 86 3.994 -1.342 -7.809 1.00 0.00 C ATOM 1365 CG TYR A 86 5.261 -0.518 -7.816 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.309 -0.827 -8.675 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.411 0.570 -6.964 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.469 -0.077 -8.684 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.567 1.326 -6.968 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.593 0.999 -7.830 1.00 0.00 C ATOM 1371 OH TYR A 86 8.747 1.749 -7.836 1.00 0.00 O ATOM 0 H TYR A 86 2.996 -0.275 -10.080 1.00 0.00 H new ATOM 0 HA TYR A 86 4.485 -2.735 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.155 -0.700 -7.540 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.072 -2.106 -7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.215 -1.667 -9.347 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.610 0.829 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.275 -0.332 -9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.667 2.169 -6.300 1.00 0.00 H new ATOM 0 HH TYR A 86 8.672 2.470 -7.176 1.00 0.00 H new ATOM 1381 N PHE A 87 2.418 -3.985 -8.532 1.00 0.00 N ATOM 1382 CA PHE A 87 1.222 -4.808 -8.396 1.00 0.00 C ATOM 1383 C PHE A 87 1.088 -5.341 -6.972 1.00 0.00 C ATOM 1384 O PHE A 87 1.893 -6.157 -6.524 1.00 0.00 O ATOM 1385 CB PHE A 87 1.265 -5.974 -9.386 1.00 0.00 C ATOM 1386 CG PHE A 87 1.260 -5.539 -10.824 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.402 -5.012 -11.406 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.114 -5.657 -11.594 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.400 -4.610 -12.728 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.106 -5.258 -12.917 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.251 -4.735 -13.485 1.00 0.00 C ATOM 0 H PHE A 87 3.272 -4.422 -8.185 1.00 0.00 H new ATOM 0 HA PHE A 87 0.355 -4.185 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.159 -6.568 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.408 -6.623 -9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.304 -4.914 -10.820 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.784 -6.066 -11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.296 -4.198 -13.169 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.794 -5.355 -13.506 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.248 -4.424 -14.519 1.00 0.00 H new ATOM 1401 N VAL A 88 0.064 -4.872 -6.266 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.178 -5.301 -4.893 1.00 0.00 C ATOM 1403 C VAL A 88 -1.439 -6.152 -4.797 1.00 0.00 C ATOM 1404 O VAL A 88 -2.476 -5.810 -5.365 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.312 -4.095 -3.944 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.274 -4.550 -2.493 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.783 -3.075 -4.221 1.00 0.00 C ATOM 0 H VAL A 88 -0.611 -4.195 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 88 0.683 -5.898 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.275 -3.618 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.370 -3.684 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.097 -5.240 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.673 -5.053 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.673 -2.230 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.758 -3.538 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.703 -2.726 -5.250 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.343 -7.263 -4.074 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.483 -8.147 -3.916 1.00 0.00 C ATOM 1419 C GLY A 89 -2.145 -9.591 -4.225 1.00 0.00 C ATOM 1420 O GLY A 89 -1.892 -9.943 -5.377 1.00 0.00 O ATOM 0 H GLY A 89 -0.496 -7.567 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.855 -8.075 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.288 -7.817 -4.573 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.138 -10.430 -3.193 1.00 0.00 N ATOM 1425 CA GLU A 90 -1.825 -11.844 -3.361 1.00 0.00 C ATOM 1426 C GLU A 90 -2.812 -12.715 -2.588 1.00 0.00 C ATOM 1427 O GLU A 90 -2.778 -12.768 -1.360 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.398 -12.132 -2.893 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.066 -13.614 -2.828 1.00 0.00 C ATOM 1430 CD GLU A 90 0.475 -14.148 -4.140 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.080 -13.626 -5.203 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.295 -15.090 -4.103 1.00 0.00 O ATOM 0 H GLU A 90 -2.345 -10.155 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.907 -12.085 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.303 -11.641 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.252 -11.692 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.668 -13.784 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.962 -14.172 -2.555 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.689 -13.396 -3.318 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.686 -14.264 -2.702 1.00 0.00 C ATOM 1441 C ASN A 91 -4.205 -15.711 -2.675 1.00 0.00 C ATOM 1442 O ASN A 91 -3.806 -16.263 -3.700 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.012 -14.170 -3.459 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.184 -14.671 -2.637 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.007 -15.422 -1.677 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.389 -14.258 -3.011 1.00 0.00 N ATOM 0 H ASN A 91 -3.730 -13.364 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.837 -13.931 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.190 -13.134 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.943 -14.749 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.215 -14.563 -2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.489 -13.636 -3.813 1.00 0.00 H new ATOM 1453 N ASN A 92 -4.246 -16.321 -1.494 1.00 0.00 N ATOM 1454 CA ASN A 92 -3.814 -17.705 -1.333 1.00 0.00 C ATOM 1455 C ASN A 92 -5.005 -18.617 -1.056 1.00 0.00 C ATOM 1456 O ASN A 92 -5.004 -19.789 -1.432 1.00 0.00 O ATOM 1457 CB ASN A 92 -2.798 -17.815 -0.196 1.00 0.00 C ATOM 1458 CG ASN A 92 -3.458 -18.053 1.149 1.00 0.00 C ATOM 1459 OD1 ASN A 92 -4.192 -19.024 1.329 1.00 0.00 O ATOM 1460 ND2 ASN A 92 -3.198 -17.164 2.101 1.00 0.00 N ATOM 0 H ASN A 92 -4.574 -15.879 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.343 -18.023 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.107 -18.631 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.207 -16.900 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.613 -17.272 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.583 -16.374 1.907 1.00 0.00 H new ATOM 1467 N GLY A 93 -6.021 -18.071 -0.394 1.00 0.00 N ATOM 1468 CA GLY A 93 -7.205 -18.849 -0.078 1.00 0.00 C ATOM 1469 C GLY A 93 -6.873 -20.275 0.316 1.00 0.00 C ATOM 1470 O GLY A 93 -6.817 -21.164 -0.534 1.00 0.00 O ATOM 0 H GLY A 93 -6.045 -17.104 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.746 -18.367 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.870 -18.859 -0.941 1.00 0.00 H new ATOM 1474 N ASP A 94 -6.650 -20.493 1.607 1.00 0.00 N ATOM 1475 CA ASP A 94 -6.321 -21.821 2.113 1.00 0.00 C ATOM 1476 C ASP A 94 -7.586 -22.596 2.469 1.00 0.00 C ATOM 1477 O ASP A 94 -7.704 -23.784 2.168 1.00 0.00 O ATOM 1478 CB ASP A 94 -5.412 -21.713 3.338 1.00 0.00 C ATOM 1479 CG ASP A 94 -3.960 -21.491 2.964 1.00 0.00 C ATOM 1480 OD1 ASP A 94 -3.503 -22.098 1.973 1.00 0.00 O ATOM 1481 OD2 ASP A 94 -3.281 -20.709 3.662 1.00 0.00 O ATOM 0 H ASP A 94 -6.691 -19.767 2.323 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.795 -22.362 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.752 -20.891 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.496 -22.624 3.931 1.00 0.00 H new ATOM 1486 N SER A 95 -8.529 -21.915 3.113 1.00 0.00 N ATOM 1487 CA SER A 95 -9.784 -22.541 3.515 1.00 0.00 C ATOM 1488 C SER A 95 -10.942 -21.555 3.403 1.00 0.00 C ATOM 1489 O SER A 95 -10.736 -20.356 3.215 1.00 0.00 O ATOM 1490 CB SER A 95 -9.681 -23.064 4.949 1.00 0.00 C ATOM 1491 OG SER A 95 -9.778 -22.006 5.886 1.00 0.00 O ATOM 0 H SER A 95 -8.448 -20.931 3.367 1.00 0.00 H new ATOM 0 HA SER A 95 -9.976 -23.378 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.473 -23.790 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.733 -23.586 5.082 1.00 0.00 H new ATOM 0 HG SER A 95 -9.357 -21.202 5.516 1.00 0.00 H new ATOM 1497 N SER A 96 -12.162 -22.070 3.520 1.00 0.00 N ATOM 1498 CA SER A 96 -13.356 -21.237 3.429 1.00 0.00 C ATOM 1499 C SER A 96 -13.104 -19.859 4.034 1.00 0.00 C ATOM 1500 O SER A 96 -13.238 -18.838 3.358 1.00 0.00 O ATOM 1501 CB SER A 96 -14.530 -21.911 4.140 1.00 0.00 C ATOM 1502 OG SER A 96 -15.191 -22.824 3.280 1.00 0.00 O ATOM 0 H SER A 96 -12.350 -23.060 3.678 1.00 0.00 H new ATOM 0 HA SER A 96 -13.602 -21.113 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.170 -22.436 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.235 -21.154 4.483 1.00 0.00 H new ATOM 0 HG SER A 96 -15.937 -23.243 3.759 1.00 0.00 H new ATOM 1508 N HIS A 97 -12.738 -19.838 5.311 1.00 0.00 N ATOM 1509 CA HIS A 97 -12.466 -18.586 6.009 1.00 0.00 C ATOM 1510 C HIS A 97 -11.423 -18.789 7.103 1.00 0.00 C ATOM 1511 O HIS A 97 -11.683 -19.450 8.108 1.00 0.00 O ATOM 1512 CB HIS A 97 -13.754 -18.025 6.614 1.00 0.00 C ATOM 1513 CG HIS A 97 -14.529 -17.157 5.672 1.00 0.00 C ATOM 1514 ND1 HIS A 97 -15.099 -17.630 4.508 1.00 0.00 N ATOM 1515 CD2 HIS A 97 -14.830 -15.838 5.727 1.00 0.00 C ATOM 1516 CE1 HIS A 97 -15.715 -16.639 3.888 1.00 0.00 C ATOM 1517 NE2 HIS A 97 -15.567 -15.541 4.607 1.00 0.00 N ATOM 0 H HIS A 97 -12.623 -20.674 5.884 1.00 0.00 H new ATOM 0 HA HIS A 97 -12.073 -17.873 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -14.386 -18.853 6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -13.506 -17.449 7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -14.544 -15.148 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -16.249 -16.714 2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -15.940 -14.622 4.369 1.00 0.00 H new ATOM 1526 N ASN A 98 -10.240 -18.217 6.899 1.00 0.00 N ATOM 1527 CA ASN A 98 -9.157 -18.337 7.868 1.00 0.00 C ATOM 1528 C ASN A 98 -8.635 -16.962 8.274 1.00 0.00 C ATOM 1529 O ASN A 98 -8.229 -16.153 7.439 1.00 0.00 O ATOM 1530 CB ASN A 98 -8.016 -19.176 7.288 1.00 0.00 C ATOM 1531 CG ASN A 98 -7.893 -19.024 5.784 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -8.682 -19.588 5.026 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -6.900 -18.259 5.346 1.00 0.00 N ATOM 0 H ASN A 98 -10.008 -17.667 6.072 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.551 -18.834 8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.077 -18.882 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.180 -20.226 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -6.767 -18.119 4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -6.270 -17.811 6.011 1.00 0.00 H new ATOM 1540 N PRO A 99 -8.646 -16.689 9.587 1.00 0.00 N ATOM 1541 CA PRO A 99 -8.177 -15.412 10.134 1.00 0.00 C ATOM 1542 C PRO A 99 -6.665 -15.250 10.013 1.00 0.00 C ATOM 1543 O PRO A 99 -6.124 -14.173 10.263 1.00 0.00 O ATOM 1544 CB PRO A 99 -8.590 -15.483 11.606 1.00 0.00 C ATOM 1545 CG PRO A 99 -8.662 -16.940 11.909 1.00 0.00 C ATOM 1546 CD PRO A 99 -9.116 -17.605 10.639 1.00 0.00 C ATOM 0 HA PRO A 99 -8.598 -14.561 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -7.864 -14.981 12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.551 -14.996 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.691 -17.322 12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.360 -17.135 12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.683 -18.599 10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.199 -17.725 10.613 1.00 0.00 H new ATOM 1554 N VAL A 100 -5.988 -16.327 9.626 1.00 0.00 N ATOM 1555 CA VAL A 100 -4.539 -16.303 9.470 1.00 0.00 C ATOM 1556 C VAL A 100 -4.128 -15.438 8.284 1.00 0.00 C ATOM 1557 O VAL A 100 -3.302 -14.534 8.417 1.00 0.00 O ATOM 1558 CB VAL A 100 -3.972 -17.723 9.277 1.00 0.00 C ATOM 1559 CG1 VAL A 100 -2.464 -17.674 9.088 1.00 0.00 C ATOM 1560 CG2 VAL A 100 -4.341 -18.608 10.457 1.00 0.00 C ATOM 0 H VAL A 100 -6.420 -17.226 9.415 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.129 -15.877 10.386 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.413 -18.153 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.081 -18.686 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.227 -17.076 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.002 -17.225 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.933 -19.607 10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.929 -18.184 11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.426 -18.669 10.541 1.00 0.00 H new ATOM 1570 N LEU A 101 -4.709 -15.721 7.123 1.00 0.00 N ATOM 1571 CA LEU A 101 -4.405 -14.968 5.911 1.00 0.00 C ATOM 1572 C LEU A 101 -4.329 -13.473 6.204 1.00 0.00 C ATOM 1573 O LEU A 101 -3.446 -12.776 5.704 1.00 0.00 O ATOM 1574 CB LEU A 101 -5.463 -15.237 4.840 1.00 0.00 C ATOM 1575 CG LEU A 101 -6.789 -14.492 5.005 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -6.646 -13.045 4.561 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -7.891 -15.187 4.220 1.00 0.00 C ATOM 0 H LEU A 101 -5.393 -16.467 6.995 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.433 -15.297 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.042 -14.978 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.670 -16.307 4.823 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.061 -14.501 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.599 -12.530 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.886 -12.552 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.351 -13.014 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.827 -14.644 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.626 -15.209 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.010 -16.207 4.585 1.00 0.00 H new ATOM 1589 N ALA A 102 -5.260 -12.987 7.019 1.00 0.00 N ATOM 1590 CA ALA A 102 -5.296 -11.575 7.381 1.00 0.00 C ATOM 1591 C ALA A 102 -4.235 -11.250 8.427 1.00 0.00 C ATOM 1592 O ALA A 102 -3.537 -10.241 8.324 1.00 0.00 O ATOM 1593 CB ALA A 102 -6.678 -11.197 7.893 1.00 0.00 C ATOM 0 H ALA A 102 -5.999 -13.550 7.441 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.079 -10.990 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.691 -10.140 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.418 -11.384 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.917 -11.796 8.772 1.00 0.00 H new ATOM 1599 N ALA A 103 -4.119 -12.110 9.433 1.00 0.00 N ATOM 1600 CA ALA A 103 -3.142 -11.914 10.497 1.00 0.00 C ATOM 1601 C ALA A 103 -1.829 -11.372 9.944 1.00 0.00 C ATOM 1602 O ALA A 103 -1.265 -10.416 10.478 1.00 0.00 O ATOM 1603 CB ALA A 103 -2.905 -13.220 11.242 1.00 0.00 C ATOM 0 H ALA A 103 -4.690 -12.949 9.534 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.543 -11.178 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.173 -13.060 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.842 -13.565 11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.529 -13.972 10.548 1.00 0.00 H new ATOM 1609 N THR A 104 -1.345 -11.989 8.870 1.00 0.00 N ATOM 1610 CA THR A 104 -0.097 -11.569 8.245 1.00 0.00 C ATOM 1611 C THR A 104 -0.336 -10.451 7.237 1.00 0.00 C ATOM 1612 O THR A 104 0.340 -9.424 7.263 1.00 0.00 O ATOM 1613 CB THR A 104 0.599 -12.746 7.535 1.00 0.00 C ATOM 1614 OG1 THR A 104 -0.226 -13.234 6.472 1.00 0.00 O ATOM 1615 CG2 THR A 104 0.891 -13.872 8.515 1.00 0.00 C ATOM 0 H THR A 104 -1.799 -12.781 8.415 1.00 0.00 H new ATOM 0 HA THR A 104 0.549 -11.202 9.043 1.00 0.00 H new ATOM 0 HB THR A 104 1.543 -12.388 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.224 -13.981 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.382 -14.692 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.543 -13.505 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.043 -14.227 8.950 1.00 0.00 H new ATOM 1623 N GLY A 105 -1.303 -10.659 6.348 1.00 0.00 N ATOM 1624 CA GLY A 105 -1.613 -9.659 5.343 1.00 0.00 C ATOM 1625 C GLY A 105 -1.517 -10.205 3.932 1.00 0.00 C ATOM 1626 O GLY A 105 -1.047 -9.519 3.024 1.00 0.00 O ATOM 0 H GLY A 105 -1.877 -11.501 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.619 -9.277 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.930 -8.817 5.450 1.00 0.00 H new ATOM 1630 N VAL A 106 -1.961 -11.444 3.747 1.00 0.00 N ATOM 1631 CA VAL A 106 -1.922 -12.083 2.437 1.00 0.00 C ATOM 1632 C VAL A 106 -3.297 -12.608 2.041 1.00 0.00 C ATOM 1633 O VAL A 106 -3.643 -13.753 2.329 1.00 0.00 O ATOM 1634 CB VAL A 106 -0.913 -13.246 2.409 1.00 0.00 C ATOM 1635 CG1 VAL A 106 -0.944 -13.948 1.060 1.00 0.00 C ATOM 1636 CG2 VAL A 106 0.488 -12.743 2.726 1.00 0.00 C ATOM 0 H VAL A 106 -2.352 -12.026 4.488 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.607 -11.322 1.723 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.197 -13.969 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.224 -14.767 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.943 -14.343 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.686 -13.238 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.188 -13.578 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.784 -12.000 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.496 -12.291 3.718 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.079 -11.762 1.377 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.408 -12.159 0.950 1.00 0.00 C ATOM 1648 C GLY A 107 -6.130 -11.057 0.200 1.00 0.00 C ATOM 1649 O GLY A 107 -5.635 -9.933 0.105 1.00 0.00 O ATOM 0 H GLY A 107 -3.816 -10.809 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.333 -13.040 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.996 -12.446 1.822 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.301 -11.378 -0.338 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.092 -10.408 -1.086 1.00 0.00 C ATOM 1655 C LEU A 108 -8.962 -9.576 -0.149 1.00 0.00 C ATOM 1656 O LEU A 108 -8.961 -8.346 -0.213 1.00 0.00 O ATOM 1657 CB LEU A 108 -8.969 -11.121 -2.117 1.00 0.00 C ATOM 1658 CG LEU A 108 -9.662 -10.224 -3.143 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -8.648 -9.651 -4.122 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -10.742 -10.998 -3.884 1.00 0.00 C ATOM 0 H LEU A 108 -7.724 -12.304 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.405 -9.739 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.352 -11.842 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.733 -11.688 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.134 -9.396 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.159 -9.015 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.910 -9.061 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.147 -10.465 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.225 -10.344 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.292 -11.845 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.484 -11.360 -3.172 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.702 -10.254 0.721 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.574 -9.578 1.674 1.00 0.00 C ATOM 1674 C ASP A 109 -9.872 -8.375 2.295 1.00 0.00 C ATOM 1675 O ASP A 109 -10.360 -7.248 2.216 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.017 -10.549 2.770 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.276 -10.088 3.477 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.143 -9.484 2.811 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.395 -10.331 4.696 1.00 0.00 O ATOM 0 H ASP A 109 -9.715 -11.272 0.786 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.454 -9.224 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.189 -11.532 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.214 -10.660 3.499 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.722 -8.623 2.916 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.952 -7.561 3.552 1.00 0.00 C ATOM 1686 C VAL A 110 -7.556 -6.490 2.542 1.00 0.00 C ATOM 1687 O VAL A 110 -7.539 -5.300 2.857 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.681 -8.114 4.222 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.788 -8.794 3.195 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.930 -7.002 4.939 1.00 0.00 C ATOM 0 H VAL A 110 -8.304 -9.550 2.992 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.592 -7.118 4.315 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.976 -8.858 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.895 -9.178 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.330 -9.618 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.499 -8.073 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.034 -7.411 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.645 -6.233 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.571 -6.564 5.704 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.238 -6.920 1.325 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.845 -5.997 0.267 1.00 0.00 C ATOM 1702 C ALA A 111 -7.981 -5.039 -0.077 1.00 0.00 C ATOM 1703 O ALA A 111 -7.782 -3.827 -0.147 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.409 -6.768 -0.970 1.00 0.00 C ATOM 0 H ALA A 111 -7.245 -7.901 1.047 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.004 -5.406 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.118 -6.067 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.561 -7.406 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.235 -7.385 -1.324 1.00 0.00 H new ATOM 1710 N GLN A 112 -9.171 -5.592 -0.290 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.337 -4.786 -0.628 1.00 0.00 C ATOM 1712 C GLN A 112 -10.366 -3.499 0.191 1.00 0.00 C ATOM 1713 O GLN A 112 -10.639 -2.422 -0.337 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.621 -5.583 -0.392 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.814 -6.729 -1.372 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.274 -6.258 -2.737 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.046 -5.305 -2.850 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -11.801 -6.924 -3.784 1.00 0.00 N ATOM 0 H GLN A 112 -9.352 -6.594 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.270 -4.522 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.610 -5.981 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.475 -4.909 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.876 -7.274 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.546 -7.429 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.163 -7.708 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.075 -6.652 -4.728 1.00 0.00 H new ATOM 1727 N SER A 113 -10.083 -3.621 1.484 1.00 0.00 N ATOM 1728 CA SER A 113 -10.080 -2.469 2.378 1.00 0.00 C ATOM 1729 C SER A 113 -8.960 -1.500 2.012 1.00 0.00 C ATOM 1730 O SER A 113 -9.173 -0.291 1.928 1.00 0.00 O ATOM 1731 CB SER A 113 -9.923 -2.923 3.830 1.00 0.00 C ATOM 1732 OG SER A 113 -11.109 -3.539 4.303 1.00 0.00 O ATOM 0 H SER A 113 -9.853 -4.506 1.936 1.00 0.00 H new ATOM 0 HA SER A 113 -11.034 -1.953 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.090 -3.622 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.679 -2.066 4.458 1.00 0.00 H new ATOM 0 HG SER A 113 -10.982 -3.822 5.233 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.766 -2.041 1.796 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.611 -1.226 1.440 1.00 0.00 C ATOM 1740 C TRP A 114 -6.910 -0.362 0.220 1.00 0.00 C ATOM 1741 O TRP A 114 -6.925 0.866 0.307 1.00 0.00 O ATOM 1742 CB TRP A 114 -5.398 -2.116 1.164 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.581 -2.402 2.388 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.832 -3.351 3.338 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.382 -1.732 2.794 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.862 -3.311 4.310 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.960 -2.327 3.999 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.624 -0.689 2.256 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.815 -1.912 4.673 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.487 -0.278 2.927 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.091 -0.889 4.124 1.00 0.00 C ATOM 0 H TRP A 114 -7.573 -3.040 1.861 1.00 0.00 H new ATOM 0 HA TRP A 114 -6.388 -0.570 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.738 -3.058 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.766 -1.635 0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.670 -4.032 3.327 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.820 -3.916 5.130 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.921 -0.213 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.509 -2.381 5.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.894 0.528 2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.197 -0.546 4.623 1.00 0.00 H new ATOM 1762 N GLU A 115 -7.148 -1.011 -0.916 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.447 -0.299 -2.153 1.00 0.00 C ATOM 1764 C GLU A 115 -8.248 0.969 -1.872 1.00 0.00 C ATOM 1765 O GLU A 115 -7.921 2.047 -2.369 1.00 0.00 O ATOM 1766 CB GLU A 115 -8.223 -1.204 -3.113 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.435 -0.592 -4.488 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.605 -1.211 -5.228 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.559 -1.660 -4.558 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.567 -1.247 -6.475 1.00 0.00 O ATOM 0 H GLU A 115 -7.140 -2.027 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.502 -0.015 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.688 -2.147 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.193 -1.437 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.603 0.480 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.529 -0.716 -5.080 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.300 0.832 -1.073 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.150 1.964 -0.724 1.00 0.00 C ATOM 1779 C LYS A 116 -9.341 3.057 -0.031 1.00 0.00 C ATOM 1780 O LYS A 116 -9.435 4.231 -0.387 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.294 1.509 0.184 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.533 1.067 -0.574 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.471 -0.409 -0.932 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.774 -0.887 -1.553 1.00 0.00 C ATOM 1785 NZ LYS A 116 -13.874 -2.373 -1.558 1.00 0.00 N ATOM 0 H LYS A 116 -9.585 -0.053 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.566 2.372 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.946 0.685 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.561 2.325 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.419 1.259 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.635 1.659 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -11.650 -0.581 -1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.258 -0.993 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.615 -0.468 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.847 -0.515 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.776 -2.659 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.086 -2.772 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -13.830 -2.727 -0.581 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.547 2.663 0.958 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.720 3.608 1.697 1.00 0.00 C ATOM 1801 C ALA A 117 -6.771 4.353 0.765 1.00 0.00 C ATOM 1802 O ALA A 117 -6.772 5.584 0.716 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.937 2.887 2.784 1.00 0.00 C ATOM 0 H ALA A 117 -8.459 1.695 1.266 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.378 4.341 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.324 3.605 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.631 2.406 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.295 2.132 2.330 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.961 3.600 0.027 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.007 4.190 -0.904 1.00 0.00 C ATOM 1811 C ILE A 118 -5.713 5.075 -1.927 1.00 0.00 C ATOM 1812 O ILE A 118 -5.358 6.240 -2.105 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.202 3.108 -1.646 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.446 2.229 -0.648 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.237 3.749 -2.633 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.777 1.031 -1.283 1.00 0.00 C ATOM 0 H ILE A 118 -5.947 2.581 0.056 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.323 4.798 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.896 2.478 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.690 2.832 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.140 1.883 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.675 2.971 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.797 4.336 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.546 4.400 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.260 0.454 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.530 0.405 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.058 1.369 -2.029 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.715 4.513 -2.595 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.471 5.250 -3.600 1.00 0.00 C ATOM 1830 C ARG A 119 -8.056 6.530 -3.010 1.00 0.00 C ATOM 1831 O ARG A 119 -7.711 7.633 -3.433 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.593 4.378 -4.166 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.323 5.011 -5.340 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.574 4.228 -5.706 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.215 4.751 -6.909 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.942 5.863 -6.929 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.119 6.564 -5.818 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.494 6.275 -8.063 1.00 0.00 N ATOM 0 H ARG A 119 -7.022 3.550 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.788 5.520 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.175 3.422 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.311 4.166 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.594 6.037 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.657 5.058 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.314 3.181 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -11.279 4.263 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.098 4.235 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.697 6.250 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.678 7.417 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.360 5.738 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.052 7.129 -8.078 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.942 6.373 -2.031 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.575 7.516 -1.384 1.00 0.00 C ATOM 1854 C GLN A 120 -8.573 8.647 -1.175 1.00 0.00 C ATOM 1855 O GLN A 120 -8.847 9.801 -1.503 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.179 7.100 -0.042 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.002 8.192 0.620 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.662 7.729 1.904 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.819 6.530 2.137 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.052 8.679 2.746 1.00 0.00 N ATOM 0 H GLN A 120 -9.237 5.466 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.371 7.876 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.809 6.223 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.375 6.803 0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.360 9.046 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.769 8.535 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.902 9.661 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.502 8.427 3.626 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.411 8.308 -0.627 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.368 9.295 -0.375 1.00 0.00 C ATOM 1871 C ALA A 121 -6.024 10.065 -1.645 1.00 0.00 C ATOM 1872 O ALA A 121 -5.802 11.276 -1.608 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.126 8.618 0.187 1.00 0.00 C ATOM 0 H ALA A 121 -7.168 7.357 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.744 10.007 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.355 9.366 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.376 8.118 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.756 7.884 -0.529 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.980 9.357 -2.768 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.662 9.974 -4.051 1.00 0.00 C ATOM 1881 C LEU A 122 -6.694 11.036 -4.415 1.00 0.00 C ATOM 1882 O LEU A 122 -6.343 12.154 -4.793 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.598 8.911 -5.149 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.517 7.842 -4.986 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.541 6.875 -6.160 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.145 8.486 -4.851 1.00 0.00 C ATOM 0 H LEU A 122 -6.161 8.354 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.688 10.455 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.567 8.414 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.443 9.413 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.723 7.280 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.765 6.121 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.515 6.388 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.361 7.422 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.388 7.710 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.929 9.073 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.133 9.137 -3.977 1.00 0.00 H new ATOM 1898 N MET A 123 -7.969 10.680 -4.296 1.00 0.00 N ATOM 1899 CA MET A 123 -9.053 11.604 -4.609 1.00 0.00 C ATOM 1900 C MET A 123 -8.754 12.997 -4.064 1.00 0.00 C ATOM 1901 O MET A 123 -8.758 13.979 -4.806 1.00 0.00 O ATOM 1902 CB MET A 123 -10.373 11.090 -4.033 1.00 0.00 C ATOM 1903 CG MET A 123 -10.884 9.831 -4.714 1.00 0.00 C ATOM 1904 SD MET A 123 -12.658 9.593 -4.493 1.00 0.00 S ATOM 1905 CE MET A 123 -12.751 9.364 -2.719 1.00 0.00 C ATOM 0 H MET A 123 -8.277 9.759 -3.985 1.00 0.00 H new ATOM 0 HA MET A 123 -9.140 11.669 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.243 10.890 -2.969 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.127 11.872 -4.120 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.658 9.881 -5.779 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.353 8.966 -4.316 1.00 0.00 H new ATOM 0 HE1 MET A 123 -12.988 8.323 -2.498 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.793 9.622 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 123 -13.529 10.008 -2.309 1.00 0.00 H new ATOM 1915 N SER A 124 -8.496 13.075 -2.762 1.00 0.00 N ATOM 1916 CA SER A 124 -8.200 14.349 -2.117 1.00 0.00 C ATOM 1917 C SER A 124 -7.312 15.214 -3.005 1.00 0.00 C ATOM 1918 O SER A 124 -7.642 16.361 -3.303 1.00 0.00 O ATOM 1919 CB SER A 124 -7.518 14.114 -0.767 1.00 0.00 C ATOM 1920 OG SER A 124 -7.449 15.313 -0.016 1.00 0.00 O ATOM 0 H SER A 124 -8.486 12.272 -2.134 1.00 0.00 H new ATOM 0 HA SER A 124 -9.141 14.874 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 124 -8.068 13.360 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.513 13.723 -0.927 1.00 0.00 H new ATOM 0 HG SER A 124 -7.011 15.136 0.843 1.00 0.00 H new ATOM 1926 N GLY A 125 -6.181 14.655 -3.426 1.00 0.00 N ATOM 1927 CA GLY A 125 -5.262 15.388 -4.276 1.00 0.00 C ATOM 1928 C GLY A 125 -4.606 16.548 -3.554 1.00 0.00 C ATOM 1929 O GLY A 125 -4.610 16.625 -2.325 1.00 0.00 O ATOM 0 H GLY A 125 -5.885 13.707 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.492 14.710 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.798 15.763 -5.148 1.00 0.00 H new ATOM 1933 N PRO A 126 -4.024 17.478 -4.326 1.00 0.00 N ATOM 1934 CA PRO A 126 -3.348 18.656 -3.775 1.00 0.00 C ATOM 1935 C PRO A 126 -4.326 19.646 -3.151 1.00 0.00 C ATOM 1936 O PRO A 126 -5.511 19.658 -3.487 1.00 0.00 O ATOM 1937 CB PRO A 126 -2.664 19.277 -4.995 1.00 0.00 C ATOM 1938 CG PRO A 126 -3.477 18.821 -6.158 1.00 0.00 C ATOM 1939 CD PRO A 126 -3.981 17.450 -5.798 1.00 0.00 C ATOM 0 HA PRO A 126 -2.659 18.392 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -2.645 20.365 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -1.629 18.945 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.305 19.504 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -2.876 18.790 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -4.965 17.259 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -3.317 16.668 -6.166 1.00 0.00 H new ATOM 1947 N SER A 127 -3.823 20.475 -2.242 1.00 0.00 N ATOM 1948 CA SER A 127 -4.654 21.466 -1.569 1.00 0.00 C ATOM 1949 C SER A 127 -4.758 22.742 -2.399 1.00 0.00 C ATOM 1950 O SER A 127 -3.763 23.231 -2.933 1.00 0.00 O ATOM 1951 CB SER A 127 -4.081 21.789 -0.187 1.00 0.00 C ATOM 1952 OG SER A 127 -2.998 22.697 -0.284 1.00 0.00 O ATOM 0 H SER A 127 -2.844 20.480 -1.955 1.00 0.00 H new ATOM 0 HA SER A 127 -5.653 21.047 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.862 22.215 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 127 -3.747 20.870 0.296 1.00 0.00 H new ATOM 0 HG SER A 127 -2.651 22.889 0.612 1.00 0.00 H new ATOM 1958 N SER A 128 -5.972 23.275 -2.504 1.00 0.00 N ATOM 1959 CA SER A 128 -6.208 24.491 -3.273 1.00 0.00 C ATOM 1960 C SER A 128 -7.143 25.435 -2.522 1.00 0.00 C ATOM 1961 O SER A 128 -8.230 25.043 -2.099 1.00 0.00 O ATOM 1962 CB SER A 128 -6.802 24.148 -4.640 1.00 0.00 C ATOM 1963 OG SER A 128 -5.850 23.492 -5.459 1.00 0.00 O ATOM 0 H SER A 128 -6.806 22.884 -2.066 1.00 0.00 H new ATOM 0 HA SER A 128 -5.251 24.993 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.676 23.510 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.143 25.059 -5.131 1.00 0.00 H new ATOM 0 HG SER A 128 -6.254 23.282 -6.327 1.00 0.00 H new ATOM 1969 N GLY A 129 -6.711 26.682 -2.360 1.00 0.00 N ATOM 1970 CA GLY A 129 -7.520 27.662 -1.661 1.00 0.00 C ATOM 1971 C GLY A 129 -8.676 28.166 -2.502 1.00 0.00 C ATOM 1972 O GLY A 129 -8.866 27.725 -3.635 1.00 0.00 O ATOM 0 H GLY A 129 -5.815 27.031 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.908 27.220 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.893 28.504 -1.369 1.00 0.00 H new TER 1976 GLY A 129