USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 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 8 MET CE :methyl -137:sc= 0 (180deg=-0.0637) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -0.0435 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= -0.0596 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00072) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -4.02! C(o=-4!,f=-9.7!) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.457) USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=-0.1) USER MOD Single : A 45 ASN : amide:sc= -0.663 K(o=-0.66,f=-5.4!) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0162 (180deg=-0.171) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -69:sc= 1.19 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -109:sc= 0.0307 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.857 17.142 -18.135 1.00 0.00 N ATOM 2 CA GLY A 1 -3.199 15.983 -18.939 1.00 0.00 C ATOM 3 C GLY A 1 -1.974 15.248 -19.446 1.00 0.00 C ATOM 4 O GLY A 1 -1.694 15.248 -20.645 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.728 17.610 -17.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.300 16.840 -17.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.297 17.807 -18.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.809 15.301 -18.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.806 16.299 -19.787 1.00 0.00 H new ATOM 8 N SER A 2 -1.241 14.620 -18.532 1.00 0.00 N ATOM 9 CA SER A 2 -0.037 13.882 -18.892 1.00 0.00 C ATOM 10 C SER A 2 -0.172 12.408 -18.525 1.00 0.00 C ATOM 11 O SER A 2 -1.136 12.005 -17.873 1.00 0.00 O ATOM 12 CB SER A 2 1.184 14.483 -18.192 1.00 0.00 C ATOM 13 OG SER A 2 1.304 15.867 -18.475 1.00 0.00 O ATOM 0 H SER A 2 -1.461 14.608 -17.536 1.00 0.00 H new ATOM 0 HA SER A 2 0.096 13.959 -19.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.100 14.335 -17.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.085 13.963 -18.516 1.00 0.00 H new ATOM 0 HG SER A 2 2.090 16.228 -18.015 1.00 0.00 H new ATOM 19 N SER A 3 0.800 11.607 -18.949 1.00 0.00 N ATOM 20 CA SER A 3 0.788 10.176 -18.669 1.00 0.00 C ATOM 21 C SER A 3 0.236 9.900 -17.274 1.00 0.00 C ATOM 22 O SER A 3 -0.779 9.222 -17.119 1.00 0.00 O ATOM 23 CB SER A 3 2.199 9.598 -18.796 1.00 0.00 C ATOM 24 OG SER A 3 3.117 10.313 -17.986 1.00 0.00 O ATOM 0 H SER A 3 1.606 11.925 -19.488 1.00 0.00 H new ATOM 0 HA SER A 3 0.139 9.693 -19.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.193 8.548 -18.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.520 9.638 -19.837 1.00 0.00 H new ATOM 0 HG SER A 3 4.011 9.924 -18.083 1.00 0.00 H new ATOM 30 N GLY A 4 0.914 10.430 -16.261 1.00 0.00 N ATOM 31 CA GLY A 4 0.478 10.230 -14.891 1.00 0.00 C ATOM 32 C GLY A 4 0.452 11.521 -14.097 1.00 0.00 C ATOM 33 O GLY A 4 0.777 12.587 -14.620 1.00 0.00 O ATOM 0 H GLY A 4 1.757 10.994 -16.364 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.518 9.787 -14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.143 9.519 -14.401 1.00 0.00 H new ATOM 37 N SER A 5 0.063 11.426 -12.829 1.00 0.00 N ATOM 38 CA SER A 5 -0.010 12.597 -11.962 1.00 0.00 C ATOM 39 C SER A 5 0.609 12.302 -10.599 1.00 0.00 C ATOM 40 O SER A 5 0.245 11.331 -9.937 1.00 0.00 O ATOM 41 CB SER A 5 -1.464 13.041 -11.790 1.00 0.00 C ATOM 42 OG SER A 5 -1.953 13.654 -12.970 1.00 0.00 O ATOM 0 H SER A 5 -0.206 10.551 -12.380 1.00 0.00 H new ATOM 0 HA SER A 5 0.554 13.403 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.083 12.180 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.538 13.739 -10.956 1.00 0.00 H new ATOM 0 HG SER A 5 -2.884 13.927 -12.835 1.00 0.00 H new ATOM 48 N SER A 6 1.546 13.149 -10.187 1.00 0.00 N ATOM 49 CA SER A 6 2.220 12.979 -8.905 1.00 0.00 C ATOM 50 C SER A 6 1.361 13.518 -7.764 1.00 0.00 C ATOM 51 O SER A 6 1.053 14.708 -7.713 1.00 0.00 O ATOM 52 CB SER A 6 3.574 13.690 -8.918 1.00 0.00 C ATOM 53 OG SER A 6 4.125 13.763 -7.614 1.00 0.00 O ATOM 0 H SER A 6 1.856 13.960 -10.722 1.00 0.00 H new ATOM 0 HA SER A 6 2.379 11.913 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.261 13.159 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.457 14.695 -9.323 1.00 0.00 H new ATOM 0 HG SER A 6 4.991 14.220 -7.650 1.00 0.00 H new ATOM 59 N GLY A 7 0.977 12.632 -6.851 1.00 0.00 N ATOM 60 CA GLY A 7 0.158 13.036 -5.723 1.00 0.00 C ATOM 61 C GLY A 7 0.149 12.004 -4.613 1.00 0.00 C ATOM 62 O GLY A 7 1.114 11.886 -3.858 1.00 0.00 O ATOM 0 H GLY A 7 1.218 11.641 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.528 13.983 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.863 13.208 -6.063 1.00 0.00 H new ATOM 66 N MET A 8 -0.944 11.255 -4.512 1.00 0.00 N ATOM 67 CA MET A 8 -1.074 10.228 -3.486 1.00 0.00 C ATOM 68 C MET A 8 -0.688 8.858 -4.035 1.00 0.00 C ATOM 69 O MET A 8 -0.904 8.567 -5.211 1.00 0.00 O ATOM 70 CB MET A 8 -2.507 10.189 -2.951 1.00 0.00 C ATOM 71 CG MET A 8 -3.526 9.720 -3.976 1.00 0.00 C ATOM 72 SD MET A 8 -3.653 7.923 -4.056 1.00 0.00 S ATOM 73 CE MET A 8 -4.634 7.587 -2.595 1.00 0.00 C ATOM 0 H MET A 8 -1.752 11.340 -5.128 1.00 0.00 H new ATOM 0 HA MET A 8 -0.395 10.478 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.545 9.528 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.784 11.185 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.502 10.139 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.252 10.105 -4.958 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.222 6.725 -2.070 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.615 8.456 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.662 7.376 -2.888 1.00 0.00 H new ATOM 83 N ALA A 9 -0.114 8.022 -3.176 1.00 0.00 N ATOM 84 CA ALA A 9 0.301 6.683 -3.575 1.00 0.00 C ATOM 85 C ALA A 9 -0.862 5.700 -3.493 1.00 0.00 C ATOM 86 O ALA A 9 -1.643 5.726 -2.543 1.00 0.00 O ATOM 87 CB ALA A 9 1.457 6.208 -2.707 1.00 0.00 C ATOM 0 H ALA A 9 0.074 8.249 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 9 0.633 6.727 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.757 5.207 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.300 6.890 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.144 6.187 -1.663 1.00 0.00 H new ATOM 93 N ASN A 10 -0.972 4.835 -4.496 1.00 0.00 N ATOM 94 CA ASN A 10 -2.041 3.844 -4.538 1.00 0.00 C ATOM 95 C ASN A 10 -1.572 2.512 -3.962 1.00 0.00 C ATOM 96 O ASN A 10 -0.695 1.855 -4.524 1.00 0.00 O ATOM 97 CB ASN A 10 -2.527 3.648 -5.975 1.00 0.00 C ATOM 98 CG ASN A 10 -2.569 4.948 -6.754 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.567 5.669 -6.726 1.00 0.00 O ATOM 100 ND2 ASN A 10 -1.483 5.254 -7.454 1.00 0.00 N ATOM 0 H ASN A 10 -0.334 4.800 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.867 4.212 -3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.870 2.943 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.522 3.203 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.453 6.117 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.679 4.627 -7.448 1.00 0.00 H new ATOM 107 N TYR A 11 -2.161 2.120 -2.838 1.00 0.00 N ATOM 108 CA TYR A 11 -1.802 0.867 -2.184 1.00 0.00 C ATOM 109 C TYR A 11 -1.636 -0.253 -3.206 1.00 0.00 C ATOM 110 O TYR A 11 -0.613 -0.939 -3.233 1.00 0.00 O ATOM 111 CB TYR A 11 -2.866 0.480 -1.156 1.00 0.00 C ATOM 112 CG TYR A 11 -3.042 1.500 -0.053 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.944 2.015 0.626 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.306 1.950 0.309 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.100 2.946 1.634 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.471 2.882 1.315 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.365 3.377 1.975 1.00 0.00 C ATOM 118 OH TYR A 11 -3.525 4.305 2.978 1.00 0.00 O ATOM 0 H TYR A 11 -2.889 2.652 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.850 1.013 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.819 0.341 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.599 -0.479 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.952 1.681 0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.174 1.564 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.236 3.335 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.460 3.221 1.584 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.478 4.502 3.093 1.00 0.00 H new ATOM 128 N TYR A 12 -2.649 -0.433 -4.046 1.00 0.00 N ATOM 129 CA TYR A 12 -2.618 -1.471 -5.070 1.00 0.00 C ATOM 130 C TYR A 12 -1.313 -1.419 -5.859 1.00 0.00 C ATOM 131 O TYR A 12 -0.688 -2.448 -6.115 1.00 0.00 O ATOM 132 CB TYR A 12 -3.807 -1.316 -6.019 1.00 0.00 C ATOM 133 CG TYR A 12 -5.142 -1.600 -5.369 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.571 -2.905 -5.159 1.00 0.00 C ATOM 135 CD2 TYR A 12 -5.975 -0.564 -4.965 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.790 -3.169 -4.566 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.195 -0.819 -4.370 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.598 -2.123 -4.172 1.00 0.00 C ATOM 139 OH TYR A 12 -8.813 -2.381 -3.581 1.00 0.00 O ATOM 0 H TYR A 12 -3.502 0.126 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.682 -2.439 -4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.814 -0.301 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.675 -1.989 -6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.940 -3.727 -5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.663 0.458 -5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.109 -4.189 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.830 -0.002 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.257 -1.535 -3.363 1.00 0.00 H new ATOM 149 N GLU A 13 -0.908 -0.211 -6.241 1.00 0.00 N ATOM 150 CA GLU A 13 0.323 -0.024 -7.001 1.00 0.00 C ATOM 151 C GLU A 13 1.542 -0.404 -6.165 1.00 0.00 C ATOM 152 O GLU A 13 2.364 -1.221 -6.581 1.00 0.00 O ATOM 153 CB GLU A 13 0.444 1.427 -7.469 1.00 0.00 C ATOM 154 CG GLU A 13 -0.496 1.779 -8.611 1.00 0.00 C ATOM 155 CD GLU A 13 -0.041 1.205 -9.938 1.00 0.00 C ATOM 156 OE1 GLU A 13 -0.107 -0.031 -10.103 1.00 0.00 O ATOM 157 OE2 GLU A 13 0.380 1.991 -10.812 1.00 0.00 O ATOM 0 H GLU A 13 -1.414 0.651 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 13 0.284 -0.677 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.243 2.089 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.471 1.614 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.495 1.408 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.570 2.863 -8.695 1.00 0.00 H new ATOM 164 N VAL A 14 1.652 0.196 -4.984 1.00 0.00 N ATOM 165 CA VAL A 14 2.769 -0.079 -4.088 1.00 0.00 C ATOM 166 C VAL A 14 3.037 -1.576 -3.986 1.00 0.00 C ATOM 167 O VAL A 14 4.181 -2.022 -4.080 1.00 0.00 O ATOM 168 CB VAL A 14 2.509 0.482 -2.678 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.624 0.076 -1.727 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.363 1.996 -2.726 1.00 0.00 C ATOM 0 H VAL A 14 0.981 0.876 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 14 3.643 0.415 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 14 1.575 0.061 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.422 0.482 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.676 -1.011 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.574 0.466 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.180 2.376 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.279 2.438 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.526 2.261 -3.372 1.00 0.00 H new ATOM 180 N LEU A 15 1.974 -2.349 -3.794 1.00 0.00 N ATOM 181 CA LEU A 15 2.093 -3.799 -3.679 1.00 0.00 C ATOM 182 C LEU A 15 2.293 -4.439 -5.049 1.00 0.00 C ATOM 183 O LEU A 15 3.112 -5.342 -5.210 1.00 0.00 O ATOM 184 CB LEU A 15 0.847 -4.381 -3.009 1.00 0.00 C ATOM 185 CG LEU A 15 0.752 -4.197 -1.494 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.675 -4.419 -1.018 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.707 -5.143 -0.781 1.00 0.00 C ATOM 0 H LEU A 15 1.020 -1.997 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 15 2.966 -4.020 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.032 -3.927 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.806 -5.448 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 15 1.039 -3.173 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.723 -4.284 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.336 -3.701 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.990 -5.431 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.626 -4.998 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.451 -6.173 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.729 -4.936 -1.099 1.00 0.00 H new ATOM 199 N GLY A 16 1.539 -3.962 -6.036 1.00 0.00 N ATOM 200 CA GLY A 16 1.650 -4.497 -7.380 1.00 0.00 C ATOM 201 C GLY A 16 0.633 -5.586 -7.656 1.00 0.00 C ATOM 202 O GLY A 16 0.956 -6.609 -8.260 1.00 0.00 O ATOM 0 H GLY A 16 0.853 -3.215 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.518 -3.690 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.654 -4.896 -7.527 1.00 0.00 H new ATOM 206 N VAL A 17 -0.600 -5.369 -7.211 1.00 0.00 N ATOM 207 CA VAL A 17 -1.669 -6.340 -7.413 1.00 0.00 C ATOM 208 C VAL A 17 -2.882 -5.694 -8.072 1.00 0.00 C ATOM 209 O VAL A 17 -2.918 -4.480 -8.272 1.00 0.00 O ATOM 210 CB VAL A 17 -2.103 -6.982 -6.082 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.936 -7.714 -5.437 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.667 -5.928 -5.141 1.00 0.00 C ATOM 0 H VAL A 17 -0.884 -4.529 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.272 -7.115 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.888 -7.709 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.261 -8.161 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.582 -8.497 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.127 -7.009 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.969 -6.399 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.905 -5.175 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.532 -5.453 -5.603 1.00 0.00 H new ATOM 222 N GLN A 18 -3.873 -6.513 -8.407 1.00 0.00 N ATOM 223 CA GLN A 18 -5.089 -6.020 -9.044 1.00 0.00 C ATOM 224 C GLN A 18 -6.167 -5.727 -8.006 1.00 0.00 C ATOM 225 O GLN A 18 -6.161 -6.293 -6.913 1.00 0.00 O ATOM 226 CB GLN A 18 -5.607 -7.040 -10.060 1.00 0.00 C ATOM 227 CG GLN A 18 -4.590 -7.403 -11.130 1.00 0.00 C ATOM 228 CD GLN A 18 -5.199 -8.195 -12.270 1.00 0.00 C ATOM 229 OE1 GLN A 18 -4.761 -9.305 -12.573 1.00 0.00 O ATOM 230 NE2 GLN A 18 -6.217 -7.629 -12.908 1.00 0.00 N ATOM 0 H GLN A 18 -3.858 -7.520 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.847 -5.092 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.906 -7.946 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.500 -6.641 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.143 -6.491 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.785 -7.983 -10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.548 -6.707 -12.624 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.668 -8.116 -13.682 1.00 0.00 H new ATOM 239 N ALA A 19 -7.091 -4.838 -8.355 1.00 0.00 N ATOM 240 CA ALA A 19 -8.176 -4.470 -7.454 1.00 0.00 C ATOM 241 C ALA A 19 -8.998 -5.692 -7.058 1.00 0.00 C ATOM 242 O ALA A 19 -9.387 -5.841 -5.900 1.00 0.00 O ATOM 243 CB ALA A 19 -9.067 -3.420 -8.102 1.00 0.00 C ATOM 0 H ALA A 19 -7.110 -4.359 -9.255 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.737 -4.050 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.873 -3.155 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.477 -2.532 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.490 -3.820 -9.023 1.00 0.00 H new ATOM 249 N SER A 20 -9.260 -6.563 -8.027 1.00 0.00 N ATOM 250 CA SER A 20 -10.040 -7.770 -7.780 1.00 0.00 C ATOM 251 C SER A 20 -9.135 -8.927 -7.366 1.00 0.00 C ATOM 252 O SER A 20 -9.530 -10.090 -7.427 1.00 0.00 O ATOM 253 CB SER A 20 -10.837 -8.152 -9.028 1.00 0.00 C ATOM 254 OG SER A 20 -12.041 -8.815 -8.682 1.00 0.00 O ATOM 0 H SER A 20 -8.944 -6.455 -8.991 1.00 0.00 H new ATOM 0 HA SER A 20 -10.733 -7.564 -6.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.065 -7.256 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.233 -8.798 -9.665 1.00 0.00 H new ATOM 0 HG SER A 20 -12.533 -9.047 -9.497 1.00 0.00 H new ATOM 260 N ALA A 21 -7.919 -8.596 -6.945 1.00 0.00 N ATOM 261 CA ALA A 21 -6.958 -9.606 -6.519 1.00 0.00 C ATOM 262 C ALA A 21 -7.427 -10.310 -5.250 1.00 0.00 C ATOM 263 O ALA A 21 -8.063 -9.701 -4.390 1.00 0.00 O ATOM 264 CB ALA A 21 -5.591 -8.974 -6.299 1.00 0.00 C ATOM 0 H ALA A 21 -7.576 -7.637 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.879 -10.353 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.883 -9.740 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.245 -8.523 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.665 -8.206 -5.529 1.00 0.00 H new ATOM 270 N SER A 22 -7.110 -11.596 -5.141 1.00 0.00 N ATOM 271 CA SER A 22 -7.503 -12.385 -3.979 1.00 0.00 C ATOM 272 C SER A 22 -6.699 -11.976 -2.748 1.00 0.00 C ATOM 273 O SER A 22 -5.642 -11.353 -2.844 1.00 0.00 O ATOM 274 CB SER A 22 -7.307 -13.876 -4.258 1.00 0.00 C ATOM 275 OG SER A 22 -8.478 -14.449 -4.815 1.00 0.00 O ATOM 0 H SER A 22 -6.582 -12.114 -5.843 1.00 0.00 H new ATOM 0 HA SER A 22 -8.558 -12.196 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.470 -14.014 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.051 -14.392 -3.333 1.00 0.00 H new ATOM 0 HG SER A 22 -8.326 -15.402 -4.986 1.00 0.00 H new ATOM 281 N PRO A 23 -7.212 -12.335 -1.562 1.00 0.00 N ATOM 282 CA PRO A 23 -6.560 -12.017 -0.289 1.00 0.00 C ATOM 283 C PRO A 23 -5.274 -12.811 -0.083 1.00 0.00 C ATOM 284 O PRO A 23 -4.543 -12.585 0.881 1.00 0.00 O ATOM 285 CB PRO A 23 -7.606 -12.415 0.755 1.00 0.00 C ATOM 286 CG PRO A 23 -8.436 -13.453 0.083 1.00 0.00 C ATOM 287 CD PRO A 23 -8.469 -13.079 -1.373 1.00 0.00 C ATOM 0 HA PRO A 23 -6.261 -10.970 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.136 -12.807 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.210 -11.559 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.007 -14.445 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.442 -13.480 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.515 -13.960 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.338 -12.466 -1.611 1.00 0.00 H new ATOM 295 N GLU A 24 -5.004 -13.740 -0.995 1.00 0.00 N ATOM 296 CA GLU A 24 -3.806 -14.566 -0.911 1.00 0.00 C ATOM 297 C GLU A 24 -2.649 -13.925 -1.672 1.00 0.00 C ATOM 298 O GLU A 24 -1.522 -13.870 -1.178 1.00 0.00 O ATOM 299 CB GLU A 24 -4.084 -15.964 -1.467 1.00 0.00 C ATOM 300 CG GLU A 24 -2.830 -16.799 -1.671 1.00 0.00 C ATOM 301 CD GLU A 24 -2.206 -16.589 -3.037 1.00 0.00 C ATOM 302 OE1 GLU A 24 -2.704 -17.187 -4.014 1.00 0.00 O ATOM 303 OE2 GLU A 24 -1.220 -15.829 -3.128 1.00 0.00 O ATOM 0 H GLU A 24 -5.598 -13.939 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.526 -14.649 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.754 -16.490 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.606 -15.870 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.101 -16.548 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.076 -17.854 -1.546 1.00 0.00 H new ATOM 310 N ASP A 25 -2.935 -13.443 -2.876 1.00 0.00 N ATOM 311 CA ASP A 25 -1.920 -12.805 -3.706 1.00 0.00 C ATOM 312 C ASP A 25 -1.258 -11.649 -2.962 1.00 0.00 C ATOM 313 O ASP A 25 -0.033 -11.531 -2.943 1.00 0.00 O ATOM 314 CB ASP A 25 -2.540 -12.301 -5.010 1.00 0.00 C ATOM 315 CG ASP A 25 -1.553 -12.311 -6.161 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.243 -13.410 -6.668 1.00 0.00 O ATOM 317 OD2 ASP A 25 -1.092 -11.221 -6.557 1.00 0.00 O ATOM 0 H ASP A 25 -3.862 -13.482 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.157 -13.548 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.398 -12.923 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.913 -11.287 -4.864 1.00 0.00 H new ATOM 322 N ILE A 26 -2.077 -10.798 -2.353 1.00 0.00 N ATOM 323 CA ILE A 26 -1.571 -9.652 -1.608 1.00 0.00 C ATOM 324 C ILE A 26 -0.632 -10.093 -0.491 1.00 0.00 C ATOM 325 O ILE A 26 0.441 -9.518 -0.303 1.00 0.00 O ATOM 326 CB ILE A 26 -2.718 -8.823 -1.001 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.589 -8.229 -2.110 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.163 -7.723 -0.109 1.00 0.00 C ATOM 329 CD1 ILE A 26 -4.988 -7.876 -1.657 1.00 0.00 C ATOM 0 H ILE A 26 -3.094 -10.881 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.022 -9.033 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.338 -9.480 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.105 -7.333 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.651 -8.941 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.986 -7.146 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.581 -8.168 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.523 -7.065 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.548 -7.461 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.490 -8.773 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.936 -7.140 -0.855 1.00 0.00 H new ATOM 341 N LYS A 27 -1.041 -11.119 0.248 1.00 0.00 N ATOM 342 CA LYS A 27 -0.235 -11.642 1.345 1.00 0.00 C ATOM 343 C LYS A 27 1.147 -12.060 0.855 1.00 0.00 C ATOM 344 O LYS A 27 2.165 -11.561 1.335 1.00 0.00 O ATOM 345 CB LYS A 27 -0.938 -12.834 1.998 1.00 0.00 C ATOM 346 CG LYS A 27 -0.482 -13.104 3.421 1.00 0.00 C ATOM 347 CD LYS A 27 -1.361 -14.140 4.102 1.00 0.00 C ATOM 348 CE LYS A 27 -2.646 -13.520 4.629 1.00 0.00 C ATOM 349 NZ LYS A 27 -3.617 -14.555 5.080 1.00 0.00 N ATOM 0 H LYS A 27 -1.927 -11.605 0.107 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.114 -10.849 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.013 -12.656 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.762 -13.724 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.551 -13.451 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.502 -12.176 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.602 -14.935 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.813 -14.599 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.414 -12.854 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.102 -12.910 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.479 -14.092 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.859 -15.176 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.192 -15.121 5.842 1.00 0.00 H new ATOM 363 N LYS A 28 1.177 -12.978 -0.106 1.00 0.00 N ATOM 364 CA LYS A 28 2.434 -13.462 -0.664 1.00 0.00 C ATOM 365 C LYS A 28 3.271 -12.305 -1.202 1.00 0.00 C ATOM 366 O LYS A 28 4.475 -12.233 -0.958 1.00 0.00 O ATOM 367 CB LYS A 28 2.164 -14.472 -1.781 1.00 0.00 C ATOM 368 CG LYS A 28 1.688 -15.824 -1.276 1.00 0.00 C ATOM 369 CD LYS A 28 1.637 -16.850 -2.395 1.00 0.00 C ATOM 370 CE LYS A 28 0.628 -17.949 -2.098 1.00 0.00 C ATOM 371 NZ LYS A 28 1.021 -18.755 -0.909 1.00 0.00 N ATOM 0 H LYS A 28 0.344 -13.402 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 28 2.993 -13.952 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.414 -14.061 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.076 -14.611 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.356 -16.175 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.698 -15.720 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.374 -16.357 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.625 -17.289 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.353 -17.505 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.536 -18.602 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.317 -19.504 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.953 -19.185 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.067 -18.139 -0.072 1.00 0.00 H new ATOM 385 N ALA A 29 2.625 -11.403 -1.932 1.00 0.00 N ATOM 386 CA ALA A 29 3.310 -10.248 -2.501 1.00 0.00 C ATOM 387 C ALA A 29 4.020 -9.443 -1.418 1.00 0.00 C ATOM 388 O ALA A 29 5.159 -9.012 -1.598 1.00 0.00 O ATOM 389 CB ALA A 29 2.323 -9.368 -3.255 1.00 0.00 C ATOM 0 H ALA A 29 1.628 -11.449 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 29 4.064 -10.611 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.848 -8.510 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.865 -9.942 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.549 -9.021 -2.571 1.00 0.00 H new ATOM 395 N TYR A 30 3.340 -9.243 -0.295 1.00 0.00 N ATOM 396 CA TYR A 30 3.905 -8.486 0.816 1.00 0.00 C ATOM 397 C TYR A 30 5.188 -9.138 1.323 1.00 0.00 C ATOM 398 O TYR A 30 6.269 -8.557 1.235 1.00 0.00 O ATOM 399 CB TYR A 30 2.890 -8.378 1.955 1.00 0.00 C ATOM 400 CG TYR A 30 3.525 -8.276 3.324 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.120 -7.094 3.749 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.529 -9.361 4.192 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.702 -6.997 4.998 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.107 -9.272 5.444 1.00 0.00 C ATOM 405 CZ TYR A 30 4.693 -8.088 5.842 1.00 0.00 C ATOM 406 OH TYR A 30 5.270 -7.994 7.088 1.00 0.00 O ATOM 0 H TYR A 30 2.397 -9.594 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 30 4.145 -7.486 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.262 -7.503 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.236 -9.249 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.127 -6.237 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.073 -10.290 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.162 -6.072 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.100 -10.124 6.107 1.00 0.00 H new ATOM 0 HH TYR A 30 5.177 -8.850 7.557 1.00 0.00 H new ATOM 416 N ARG A 31 5.059 -10.350 1.853 1.00 0.00 N ATOM 417 CA ARG A 31 6.206 -11.082 2.374 1.00 0.00 C ATOM 418 C ARG A 31 7.409 -10.941 1.446 1.00 0.00 C ATOM 419 O ARG A 31 8.446 -10.403 1.833 1.00 0.00 O ATOM 420 CB ARG A 31 5.857 -12.561 2.553 1.00 0.00 C ATOM 421 CG ARG A 31 4.647 -12.798 3.442 1.00 0.00 C ATOM 422 CD ARG A 31 4.709 -14.160 4.115 1.00 0.00 C ATOM 423 NE ARG A 31 5.497 -14.128 5.344 1.00 0.00 N ATOM 424 CZ ARG A 31 5.311 -14.966 6.358 1.00 0.00 C ATOM 425 NH1 ARG A 31 4.368 -15.896 6.290 1.00 0.00 N ATOM 426 NH2 ARG A 31 6.068 -14.874 7.444 1.00 0.00 N ATOM 0 H ARG A 31 4.171 -10.845 1.933 1.00 0.00 H new ATOM 0 HA ARG A 31 6.465 -10.657 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.670 -13.003 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.717 -13.080 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.594 -12.018 4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.737 -12.726 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.698 -14.499 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.141 -14.885 3.426 1.00 0.00 H new ATOM 0 HE ARG A 31 6.230 -13.424 5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.783 -15.969 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.228 -16.538 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.794 -14.159 7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.924 -15.518 8.222 1.00 0.00 H new ATOM 440 N LYS A 32 7.263 -11.429 0.219 1.00 0.00 N ATOM 441 CA LYS A 32 8.335 -11.358 -0.767 1.00 0.00 C ATOM 442 C LYS A 32 8.794 -9.917 -0.968 1.00 0.00 C ATOM 443 O LYS A 32 9.991 -9.626 -0.938 1.00 0.00 O ATOM 444 CB LYS A 32 7.870 -11.947 -2.100 1.00 0.00 C ATOM 445 CG LYS A 32 7.298 -13.349 -1.980 1.00 0.00 C ATOM 446 CD LYS A 32 8.365 -14.353 -1.578 1.00 0.00 C ATOM 447 CE LYS A 32 9.057 -14.948 -2.795 1.00 0.00 C ATOM 448 NZ LYS A 32 10.339 -15.614 -2.434 1.00 0.00 N ATOM 0 H LYS A 32 6.411 -11.879 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 32 9.177 -11.941 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.115 -11.291 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.711 -11.965 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.496 -13.354 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.857 -13.646 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.103 -13.866 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.912 -15.151 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.395 -15.670 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.249 -14.161 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.780 -16.006 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.981 -14.920 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.153 -16.382 -1.758 1.00 0.00 H new ATOM 462 N LEU A 33 7.837 -9.019 -1.171 1.00 0.00 N ATOM 463 CA LEU A 33 8.143 -7.607 -1.375 1.00 0.00 C ATOM 464 C LEU A 33 9.093 -7.095 -0.297 1.00 0.00 C ATOM 465 O LEU A 33 10.187 -6.616 -0.597 1.00 0.00 O ATOM 466 CB LEU A 33 6.856 -6.780 -1.372 1.00 0.00 C ATOM 467 CG LEU A 33 6.113 -6.690 -2.705 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.713 -6.134 -2.499 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.890 -5.830 -3.691 1.00 0.00 C ATOM 0 H LEU A 33 6.842 -9.243 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 33 8.632 -7.503 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.179 -7.202 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.098 -5.769 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 33 6.026 -7.694 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.199 -6.077 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.157 -6.788 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.778 -5.137 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.347 -5.777 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.009 -4.826 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.872 -6.270 -3.862 1.00 0.00 H new ATOM 481 N ALA A 34 8.668 -7.200 0.958 1.00 0.00 N ATOM 482 CA ALA A 34 9.483 -6.751 2.080 1.00 0.00 C ATOM 483 C ALA A 34 10.965 -6.995 1.815 1.00 0.00 C ATOM 484 O ALA A 34 11.797 -6.113 2.029 1.00 0.00 O ATOM 485 CB ALA A 34 9.051 -7.453 3.359 1.00 0.00 C ATOM 0 H ALA A 34 7.764 -7.592 1.223 1.00 0.00 H new ATOM 0 HA ALA A 34 9.334 -5.678 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.668 -7.109 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.005 -7.224 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.170 -8.530 3.241 1.00 0.00 H new ATOM 491 N LEU A 35 11.288 -8.196 1.349 1.00 0.00 N ATOM 492 CA LEU A 35 12.671 -8.556 1.055 1.00 0.00 C ATOM 493 C LEU A 35 13.163 -7.845 -0.201 1.00 0.00 C ATOM 494 O LEU A 35 14.309 -7.398 -0.265 1.00 0.00 O ATOM 495 CB LEU A 35 12.798 -10.071 0.881 1.00 0.00 C ATOM 496 CG LEU A 35 14.223 -10.624 0.845 1.00 0.00 C ATOM 497 CD1 LEU A 35 14.219 -12.124 1.096 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.884 -10.307 -0.489 1.00 0.00 C ATOM 0 H LEU A 35 10.611 -8.937 1.167 1.00 0.00 H new ATOM 0 HA LEU A 35 13.290 -8.240 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.261 -10.557 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.296 -10.354 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 35 14.799 -10.145 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.241 -12.501 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.785 -12.328 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.628 -12.620 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.898 -10.708 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.308 -10.759 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.920 -9.227 -0.630 1.00 0.00 H new ATOM 510 N ARG A 36 12.290 -7.743 -1.198 1.00 0.00 N ATOM 511 CA ARG A 36 12.636 -7.085 -2.452 1.00 0.00 C ATOM 512 C ARG A 36 13.042 -5.634 -2.212 1.00 0.00 C ATOM 513 O ARG A 36 14.047 -5.165 -2.745 1.00 0.00 O ATOM 514 CB ARG A 36 11.456 -7.141 -3.424 1.00 0.00 C ATOM 515 CG ARG A 36 11.836 -6.830 -4.863 1.00 0.00 C ATOM 516 CD ARG A 36 11.862 -5.332 -5.121 1.00 0.00 C ATOM 517 NE ARG A 36 12.448 -5.010 -6.419 1.00 0.00 N ATOM 518 CZ ARG A 36 13.006 -3.839 -6.704 1.00 0.00 C ATOM 519 NH1 ARG A 36 13.054 -2.883 -5.786 1.00 0.00 N ATOM 520 NH2 ARG A 36 13.517 -3.622 -7.909 1.00 0.00 N ATOM 0 H ARG A 36 11.338 -8.108 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 36 13.484 -7.614 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.009 -8.134 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.694 -6.434 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.816 -7.255 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.125 -7.304 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.847 -4.939 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.432 -4.838 -4.334 1.00 0.00 H new ATOM 0 HE ARG A 36 12.428 -5.724 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.662 -3.046 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.483 -1.985 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.482 -4.355 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.945 -2.722 -8.127 1.00 0.00 H new ATOM 534 N TRP A 37 12.254 -4.931 -1.407 1.00 0.00 N ATOM 535 CA TRP A 37 12.532 -3.533 -1.096 1.00 0.00 C ATOM 536 C TRP A 37 13.379 -3.414 0.166 1.00 0.00 C ATOM 537 O TRP A 37 13.457 -2.346 0.774 1.00 0.00 O ATOM 538 CB TRP A 37 11.224 -2.758 -0.923 1.00 0.00 C ATOM 539 CG TRP A 37 10.560 -2.415 -2.222 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.433 -2.984 -2.742 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.985 -1.426 -3.166 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.130 -2.408 -3.952 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.067 -1.448 -4.234 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.049 -0.521 -3.212 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.184 -0.603 -5.334 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.164 0.317 -4.304 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.236 0.272 -5.353 1.00 0.00 C ATOM 0 H TRP A 37 11.418 -5.305 -0.958 1.00 0.00 H new ATOM 0 HA TRP A 37 13.092 -3.106 -1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.537 -3.349 -0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.425 -1.839 -0.372 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.863 -3.771 -2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.337 -2.655 -4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.769 -0.478 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.470 -0.637 -6.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.983 1.019 -4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.353 0.941 -6.193 1.00 0.00 H new ATOM 558 N HIS A 38 14.013 -4.516 0.554 1.00 0.00 N ATOM 559 CA HIS A 38 14.856 -4.533 1.745 1.00 0.00 C ATOM 560 C HIS A 38 16.067 -3.623 1.566 1.00 0.00 C ATOM 561 O HIS A 38 16.691 -3.581 0.505 1.00 0.00 O ATOM 562 CB HIS A 38 15.315 -5.960 2.049 1.00 0.00 C ATOM 563 CG HIS A 38 15.665 -6.182 3.488 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.857 -5.769 4.045 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.971 -6.776 4.486 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.882 -6.102 5.323 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.749 -6.714 5.616 1.00 0.00 N ATOM 0 H HIS A 38 13.959 -5.408 0.062 1.00 0.00 H new ATOM 0 HA HIS A 38 14.267 -4.162 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.526 -6.655 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.183 -6.193 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.988 -7.217 4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.691 -5.907 6.011 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.493 -7.081 6.533 1.00 0.00 H new ATOM 575 N PRO A 39 16.408 -2.877 2.627 1.00 0.00 N ATOM 576 CA PRO A 39 17.547 -1.953 2.611 1.00 0.00 C ATOM 577 C PRO A 39 18.885 -2.684 2.571 1.00 0.00 C ATOM 578 O PRO A 39 19.802 -2.280 1.856 1.00 0.00 O ATOM 579 CB PRO A 39 17.397 -1.183 3.926 1.00 0.00 C ATOM 580 CG PRO A 39 16.636 -2.102 4.818 1.00 0.00 C ATOM 581 CD PRO A 39 15.709 -2.876 3.923 1.00 0.00 C ATOM 0 HA PRO A 39 17.544 -1.317 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.369 -0.933 4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.863 -0.244 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.309 -2.771 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.077 -1.543 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.546 -3.888 4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.730 -2.401 3.851 1.00 0.00 H new ATOM 589 N ASP A 40 18.989 -3.760 3.343 1.00 0.00 N ATOM 590 CA ASP A 40 20.215 -4.548 3.394 1.00 0.00 C ATOM 591 C ASP A 40 20.526 -5.159 2.032 1.00 0.00 C ATOM 592 O ASP A 40 21.686 -5.254 1.631 1.00 0.00 O ATOM 593 CB ASP A 40 20.094 -5.651 4.447 1.00 0.00 C ATOM 594 CG ASP A 40 19.974 -5.099 5.853 1.00 0.00 C ATOM 595 OD1 ASP A 40 19.495 -3.955 6.002 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.360 -5.810 6.805 1.00 0.00 O ATOM 0 H ASP A 40 18.240 -4.106 3.942 1.00 0.00 H new ATOM 0 HA ASP A 40 21.034 -3.883 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.222 -6.266 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 40 20.966 -6.302 4.389 1.00 0.00 H new ATOM 601 N LYS A 41 19.481 -5.574 1.323 1.00 0.00 N ATOM 602 CA LYS A 41 19.640 -6.177 0.005 1.00 0.00 C ATOM 603 C LYS A 41 20.055 -5.131 -1.025 1.00 0.00 C ATOM 604 O LYS A 41 20.606 -5.463 -2.073 1.00 0.00 O ATOM 605 CB LYS A 41 18.337 -6.850 -0.432 1.00 0.00 C ATOM 606 CG LYS A 41 18.202 -8.284 0.051 1.00 0.00 C ATOM 607 CD LYS A 41 19.086 -9.227 -0.748 1.00 0.00 C ATOM 608 CE LYS A 41 18.334 -9.835 -1.922 1.00 0.00 C ATOM 609 NZ LYS A 41 18.478 -9.016 -3.157 1.00 0.00 N ATOM 0 H LYS A 41 18.514 -5.503 1.640 1.00 0.00 H new ATOM 0 HA LYS A 41 20.426 -6.930 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.494 -6.269 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.277 -6.835 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.469 -8.340 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.162 -8.601 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.959 -8.687 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.453 -10.022 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.706 -10.842 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.278 -9.927 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.341 -9.620 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.765 -8.259 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.429 -8.596 -3.186 1.00 0.00 H new ATOM 623 N ASN A 42 19.787 -3.866 -0.718 1.00 0.00 N ATOM 624 CA ASN A 42 20.133 -2.771 -1.617 1.00 0.00 C ATOM 625 C ASN A 42 21.306 -1.965 -1.066 1.00 0.00 C ATOM 626 O ASN A 42 21.156 -1.141 -0.164 1.00 0.00 O ATOM 627 CB ASN A 42 18.926 -1.856 -1.829 1.00 0.00 C ATOM 628 CG ASN A 42 17.863 -2.494 -2.703 1.00 0.00 C ATOM 629 OD1 ASN A 42 18.051 -2.657 -3.908 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.739 -2.857 -2.097 1.00 0.00 N ATOM 0 H ASN A 42 19.331 -3.574 0.146 1.00 0.00 H new ATOM 0 HA ASN A 42 20.427 -3.200 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.492 -1.601 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.256 -0.923 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.988 -3.291 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.627 -2.702 -1.095 1.00 0.00 H new ATOM 637 N PRO A 43 22.503 -2.207 -1.622 1.00 0.00 N ATOM 638 CA PRO A 43 23.724 -1.514 -1.203 1.00 0.00 C ATOM 639 C PRO A 43 23.724 -0.044 -1.608 1.00 0.00 C ATOM 640 O PRO A 43 23.971 0.837 -0.785 1.00 0.00 O ATOM 641 CB PRO A 43 24.832 -2.271 -1.939 1.00 0.00 C ATOM 642 CG PRO A 43 24.161 -2.860 -3.131 1.00 0.00 C ATOM 643 CD PRO A 43 22.755 -3.177 -2.701 1.00 0.00 C ATOM 0 HA PRO A 43 23.839 -1.510 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.642 -1.602 -2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.269 -3.045 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.165 -2.160 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.679 -3.759 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.047 -3.059 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.664 -4.204 -2.348 1.00 0.00 H new ATOM 651 N ASP A 44 23.446 0.214 -2.882 1.00 0.00 N ATOM 652 CA ASP A 44 23.413 1.578 -3.396 1.00 0.00 C ATOM 653 C ASP A 44 22.523 2.464 -2.529 1.00 0.00 C ATOM 654 O ASP A 44 22.975 3.468 -1.982 1.00 0.00 O ATOM 655 CB ASP A 44 22.911 1.589 -4.841 1.00 0.00 C ATOM 656 CG ASP A 44 23.548 0.501 -5.683 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.785 0.344 -5.612 1.00 0.00 O ATOM 658 OD2 ASP A 44 22.810 -0.194 -6.413 1.00 0.00 O ATOM 0 H ASP A 44 23.240 -0.504 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 44 24.428 1.975 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.828 1.463 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.121 2.561 -5.288 1.00 0.00 H new ATOM 663 N ASN A 45 21.255 2.084 -2.411 1.00 0.00 N ATOM 664 CA ASN A 45 20.301 2.845 -1.612 1.00 0.00 C ATOM 665 C ASN A 45 19.761 2.002 -0.460 1.00 0.00 C ATOM 666 O ASN A 45 19.005 1.054 -0.671 1.00 0.00 O ATOM 667 CB ASN A 45 19.145 3.332 -2.488 1.00 0.00 C ATOM 668 CG ASN A 45 18.456 2.196 -3.220 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.111 1.337 -3.811 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.129 2.189 -3.185 1.00 0.00 N ATOM 0 H ASN A 45 20.864 1.255 -2.858 1.00 0.00 H new ATOM 0 HA ASN A 45 20.821 3.708 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.417 3.855 -1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.521 4.053 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.610 1.451 -3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.628 2.922 -2.682 1.00 0.00 H new ATOM 677 N LYS A 46 20.155 2.355 0.759 1.00 0.00 N ATOM 678 CA LYS A 46 19.711 1.634 1.946 1.00 0.00 C ATOM 679 C LYS A 46 18.462 2.279 2.539 1.00 0.00 C ATOM 680 O LYS A 46 17.427 1.630 2.684 1.00 0.00 O ATOM 681 CB LYS A 46 20.826 1.599 2.993 1.00 0.00 C ATOM 682 CG LYS A 46 21.751 0.402 2.857 1.00 0.00 C ATOM 683 CD LYS A 46 22.914 0.699 1.926 1.00 0.00 C ATOM 684 CE LYS A 46 23.952 -0.413 1.958 1.00 0.00 C ATOM 685 NZ LYS A 46 24.681 -0.453 3.256 1.00 0.00 N ATOM 0 H LYS A 46 20.781 3.137 0.951 1.00 0.00 H new ATOM 0 HA LYS A 46 19.466 0.614 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.415 2.513 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.379 1.591 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.132 0.122 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.189 -0.452 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.544 0.824 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.380 1.642 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.463 -1.372 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.664 -0.269 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.526 -1.052 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.967 0.510 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.059 -0.846 3.991 1.00 0.00 H new ATOM 699 N GLU A 47 18.567 3.560 2.878 1.00 0.00 N ATOM 700 CA GLU A 47 17.445 4.292 3.454 1.00 0.00 C ATOM 701 C GLU A 47 16.222 4.217 2.545 1.00 0.00 C ATOM 702 O GLU A 47 15.180 3.690 2.932 1.00 0.00 O ATOM 703 CB GLU A 47 17.829 5.754 3.692 1.00 0.00 C ATOM 704 CG GLU A 47 16.786 6.538 4.469 1.00 0.00 C ATOM 705 CD GLU A 47 15.719 7.138 3.574 1.00 0.00 C ATOM 706 OE1 GLU A 47 16.076 7.907 2.658 1.00 0.00 O ATOM 707 OE2 GLU A 47 14.526 6.837 3.790 1.00 0.00 O ATOM 0 H GLU A 47 19.417 4.112 2.764 1.00 0.00 H new ATOM 0 HA GLU A 47 17.195 3.830 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.775 5.789 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.994 6.239 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.314 5.882 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.277 7.335 5.027 1.00 0.00 H new ATOM 714 N GLU A 48 16.359 4.748 1.334 1.00 0.00 N ATOM 715 CA GLU A 48 15.264 4.742 0.370 1.00 0.00 C ATOM 716 C GLU A 48 14.478 3.437 0.447 1.00 0.00 C ATOM 717 O GLU A 48 13.260 3.443 0.622 1.00 0.00 O ATOM 718 CB GLU A 48 15.803 4.943 -1.048 1.00 0.00 C ATOM 719 CG GLU A 48 14.733 4.858 -2.123 1.00 0.00 C ATOM 720 CD GLU A 48 15.198 5.417 -3.454 1.00 0.00 C ATOM 721 OE1 GLU A 48 15.585 6.603 -3.496 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.174 4.668 -4.453 1.00 0.00 O ATOM 0 H GLU A 48 17.216 5.187 0.997 1.00 0.00 H new ATOM 0 HA GLU A 48 14.593 5.565 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.290 5.916 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.567 4.191 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.436 3.817 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.848 5.403 -1.794 1.00 0.00 H new ATOM 729 N ALA A 49 15.184 2.319 0.315 1.00 0.00 N ATOM 730 CA ALA A 49 14.554 1.006 0.372 1.00 0.00 C ATOM 731 C ALA A 49 13.757 0.834 1.660 1.00 0.00 C ATOM 732 O ALA A 49 12.587 0.454 1.631 1.00 0.00 O ATOM 733 CB ALA A 49 15.603 -0.089 0.248 1.00 0.00 C ATOM 0 H ALA A 49 16.193 2.296 0.168 1.00 0.00 H new ATOM 0 HA ALA A 49 13.861 0.927 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.118 -1.064 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.125 0.014 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.318 -0.002 1.066 1.00 0.00 H new ATOM 739 N GLU A 50 14.399 1.117 2.790 1.00 0.00 N ATOM 740 CA GLU A 50 13.749 0.992 4.089 1.00 0.00 C ATOM 741 C GLU A 50 12.350 1.601 4.059 1.00 0.00 C ATOM 742 O GLU A 50 11.396 1.020 4.575 1.00 0.00 O ATOM 743 CB GLU A 50 14.590 1.670 5.172 1.00 0.00 C ATOM 744 CG GLU A 50 14.394 1.075 6.557 1.00 0.00 C ATOM 745 CD GLU A 50 13.261 1.734 7.320 1.00 0.00 C ATOM 746 OE1 GLU A 50 13.478 2.835 7.869 1.00 0.00 O ATOM 747 OE2 GLU A 50 12.159 1.150 7.368 1.00 0.00 O ATOM 0 H GLU A 50 15.368 1.434 2.831 1.00 0.00 H new ATOM 0 HA GLU A 50 13.659 -0.069 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.643 1.598 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.341 2.731 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.192 0.008 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.318 1.177 7.126 1.00 0.00 H new ATOM 754 N LYS A 51 12.237 2.777 3.450 1.00 0.00 N ATOM 755 CA LYS A 51 10.957 3.467 3.350 1.00 0.00 C ATOM 756 C LYS A 51 9.908 2.576 2.692 1.00 0.00 C ATOM 757 O LYS A 51 8.834 2.349 3.248 1.00 0.00 O ATOM 758 CB LYS A 51 11.114 4.764 2.553 1.00 0.00 C ATOM 759 CG LYS A 51 9.792 5.427 2.204 1.00 0.00 C ATOM 760 CD LYS A 51 9.066 5.911 3.449 1.00 0.00 C ATOM 761 CE LYS A 51 9.687 7.187 3.996 1.00 0.00 C ATOM 762 NZ LYS A 51 9.098 8.403 3.371 1.00 0.00 N ATOM 0 H LYS A 51 13.017 3.272 3.018 1.00 0.00 H new ATOM 0 HA LYS A 51 10.622 3.707 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.721 5.463 3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.659 4.552 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.971 6.269 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.161 4.721 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.016 6.088 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.095 5.134 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.542 7.227 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.762 7.172 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.548 9.251 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.258 8.378 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.076 8.431 3.561 1.00 0.00 H new ATOM 776 N LYS A 52 10.227 2.073 1.504 1.00 0.00 N ATOM 777 CA LYS A 52 9.315 1.205 0.770 1.00 0.00 C ATOM 778 C LYS A 52 8.829 0.058 1.651 1.00 0.00 C ATOM 779 O LYS A 52 7.662 -0.331 1.593 1.00 0.00 O ATOM 780 CB LYS A 52 10.002 0.648 -0.479 1.00 0.00 C ATOM 781 CG LYS A 52 10.104 1.650 -1.615 1.00 0.00 C ATOM 782 CD LYS A 52 8.808 1.734 -2.403 1.00 0.00 C ATOM 783 CE LYS A 52 9.046 2.245 -3.816 1.00 0.00 C ATOM 784 NZ LYS A 52 7.822 2.861 -4.397 1.00 0.00 N ATOM 0 H LYS A 52 11.112 2.252 1.029 1.00 0.00 H new ATOM 0 HA LYS A 52 8.452 1.798 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.004 0.310 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.453 -0.227 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.351 2.633 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.918 1.364 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.342 0.749 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.111 2.395 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.852 2.979 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.373 1.421 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.026 3.196 -5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.060 2.154 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.524 3.664 -3.807 1.00 0.00 H new ATOM 798 N PHE A 53 9.731 -0.479 2.466 1.00 0.00 N ATOM 799 CA PHE A 53 9.394 -1.581 3.359 1.00 0.00 C ATOM 800 C PHE A 53 8.221 -1.210 4.262 1.00 0.00 C ATOM 801 O PHE A 53 7.348 -2.035 4.537 1.00 0.00 O ATOM 802 CB PHE A 53 10.606 -1.965 4.211 1.00 0.00 C ATOM 803 CG PHE A 53 10.501 -3.334 4.820 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.494 -3.629 5.724 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.411 -4.325 4.488 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.395 -4.888 6.287 1.00 0.00 C ATOM 807 CE2 PHE A 53 11.316 -5.586 5.047 1.00 0.00 C ATOM 808 CZ PHE A 53 10.308 -5.867 5.948 1.00 0.00 C ATOM 0 H PHE A 53 10.701 -0.169 2.526 1.00 0.00 H new ATOM 0 HA PHE A 53 9.104 -2.435 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.503 -1.918 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.728 -1.230 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.778 -2.867 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.203 -4.110 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.605 -5.105 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 53 12.030 -6.351 4.779 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.234 -6.851 6.387 1.00 0.00 H new ATOM 818 N LYS A 54 8.207 0.036 4.722 1.00 0.00 N ATOM 819 CA LYS A 54 7.142 0.519 5.593 1.00 0.00 C ATOM 820 C LYS A 54 5.823 0.622 4.835 1.00 0.00 C ATOM 821 O LYS A 54 4.754 0.368 5.391 1.00 0.00 O ATOM 822 CB LYS A 54 7.514 1.883 6.179 1.00 0.00 C ATOM 823 CG LYS A 54 6.649 2.295 7.358 1.00 0.00 C ATOM 824 CD LYS A 54 6.962 1.469 8.594 1.00 0.00 C ATOM 825 CE LYS A 54 6.420 2.126 9.855 1.00 0.00 C ATOM 826 NZ LYS A 54 6.880 1.425 11.086 1.00 0.00 N ATOM 0 H LYS A 54 8.922 0.731 4.506 1.00 0.00 H new ATOM 0 HA LYS A 54 7.018 -0.197 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.557 1.861 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.433 2.639 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.808 3.351 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.597 2.178 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.531 0.474 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.041 1.341 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.740 3.167 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.330 2.129 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.490 1.902 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.553 0.438 11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.919 1.445 11.129 1.00 0.00 H new ATOM 840 N LEU A 55 5.905 0.996 3.563 1.00 0.00 N ATOM 841 CA LEU A 55 4.717 1.131 2.727 1.00 0.00 C ATOM 842 C LEU A 55 4.072 -0.228 2.474 1.00 0.00 C ATOM 843 O LEU A 55 2.889 -0.427 2.750 1.00 0.00 O ATOM 844 CB LEU A 55 5.078 1.793 1.396 1.00 0.00 C ATOM 845 CG LEU A 55 5.229 3.314 1.423 1.00 0.00 C ATOM 846 CD1 LEU A 55 6.141 3.780 0.298 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.868 3.987 1.321 1.00 0.00 C ATOM 0 H LEU A 55 6.782 1.211 3.088 1.00 0.00 H new ATOM 0 HA LEU A 55 4.001 1.760 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.013 1.361 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.310 1.537 0.666 1.00 0.00 H new ATOM 0 HG LEU A 55 5.683 3.598 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.237 4.865 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.125 3.325 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.716 3.484 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.995 5.069 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.387 3.696 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.246 3.678 2.161 1.00 0.00 H new ATOM 859 N VAL A 56 4.858 -1.162 1.948 1.00 0.00 N ATOM 860 CA VAL A 56 4.365 -2.503 1.660 1.00 0.00 C ATOM 861 C VAL A 56 3.758 -3.144 2.903 1.00 0.00 C ATOM 862 O VAL A 56 2.894 -4.016 2.806 1.00 0.00 O ATOM 863 CB VAL A 56 5.488 -3.411 1.125 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.531 -3.663 2.203 1.00 0.00 C ATOM 865 CG2 VAL A 56 4.914 -4.723 0.612 1.00 0.00 C ATOM 0 H VAL A 56 5.839 -1.014 1.713 1.00 0.00 H new ATOM 0 HA VAL A 56 3.596 -2.400 0.895 1.00 0.00 H new ATOM 0 HB VAL A 56 5.975 -2.903 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.316 -4.306 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.964 -2.714 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.061 -4.149 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.722 -5.352 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.400 -5.237 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.208 -4.521 -0.194 1.00 0.00 H new ATOM 875 N SER A 57 4.214 -2.705 4.072 1.00 0.00 N ATOM 876 CA SER A 57 3.718 -3.237 5.335 1.00 0.00 C ATOM 877 C SER A 57 2.391 -2.588 5.715 1.00 0.00 C ATOM 878 O SER A 57 1.507 -3.238 6.272 1.00 0.00 O ATOM 879 CB SER A 57 4.745 -3.012 6.446 1.00 0.00 C ATOM 880 OG SER A 57 4.546 -1.759 7.078 1.00 0.00 O ATOM 0 H SER A 57 4.927 -1.982 4.170 1.00 0.00 H new ATOM 0 HA SER A 57 3.556 -4.308 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.669 -3.811 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.751 -3.057 6.030 1.00 0.00 H new ATOM 0 HG SER A 57 4.776 -1.038 6.455 1.00 0.00 H new ATOM 886 N GLU A 58 2.260 -1.301 5.408 1.00 0.00 N ATOM 887 CA GLU A 58 1.041 -0.563 5.718 1.00 0.00 C ATOM 888 C GLU A 58 -0.075 -0.921 4.740 1.00 0.00 C ATOM 889 O GLU A 58 -1.177 -1.290 5.147 1.00 0.00 O ATOM 890 CB GLU A 58 1.306 0.943 5.676 1.00 0.00 C ATOM 891 CG GLU A 58 0.084 1.786 6.004 1.00 0.00 C ATOM 892 CD GLU A 58 -0.438 1.535 7.405 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.384 1.271 8.307 1.00 0.00 O ATOM 894 OE2 GLU A 58 -1.670 1.604 7.600 1.00 0.00 O ATOM 0 H GLU A 58 2.982 -0.749 4.946 1.00 0.00 H new ATOM 0 HA GLU A 58 0.724 -0.841 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.102 1.183 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.667 1.212 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.336 2.841 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.705 1.572 5.283 1.00 0.00 H new ATOM 901 N ALA A 59 0.218 -0.809 3.449 1.00 0.00 N ATOM 902 CA ALA A 59 -0.758 -1.122 2.413 1.00 0.00 C ATOM 903 C ALA A 59 -1.226 -2.570 2.519 1.00 0.00 C ATOM 904 O ALA A 59 -2.418 -2.857 2.409 1.00 0.00 O ATOM 905 CB ALA A 59 -0.171 -0.854 1.036 1.00 0.00 C ATOM 0 H ALA A 59 1.125 -0.503 3.095 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.624 -0.476 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.911 -1.092 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.106 0.197 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.713 -1.475 0.890 1.00 0.00 H new ATOM 911 N TYR A 60 -0.280 -3.477 2.732 1.00 0.00 N ATOM 912 CA TYR A 60 -0.595 -4.896 2.849 1.00 0.00 C ATOM 913 C TYR A 60 -1.779 -5.116 3.785 1.00 0.00 C ATOM 914 O TYR A 60 -2.673 -5.911 3.496 1.00 0.00 O ATOM 915 CB TYR A 60 0.622 -5.670 3.359 1.00 0.00 C ATOM 916 CG TYR A 60 0.266 -6.930 4.116 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.669 -7.825 3.611 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.863 -7.223 5.335 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.998 -8.977 4.299 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.540 -8.373 6.030 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.391 -9.247 5.508 1.00 0.00 C ATOM 922 OH TYR A 60 -0.715 -10.393 6.197 1.00 0.00 O ATOM 0 H TYR A 60 0.711 -3.255 2.827 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.864 -5.265 1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.256 -5.932 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.209 -5.020 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.147 -7.617 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.592 -6.541 5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.727 -9.663 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.014 -8.586 6.977 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.197 -10.432 7.028 1.00 0.00 H new ATOM 932 N GLU A 61 -1.778 -4.404 4.908 1.00 0.00 N ATOM 933 CA GLU A 61 -2.852 -4.521 5.887 1.00 0.00 C ATOM 934 C GLU A 61 -4.097 -3.770 5.422 1.00 0.00 C ATOM 935 O GLU A 61 -5.202 -4.312 5.433 1.00 0.00 O ATOM 936 CB GLU A 61 -2.396 -3.982 7.245 1.00 0.00 C ATOM 937 CG GLU A 61 -1.383 -4.873 7.944 1.00 0.00 C ATOM 938 CD GLU A 61 -2.032 -6.028 8.681 1.00 0.00 C ATOM 939 OE1 GLU A 61 -2.747 -5.772 9.673 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.824 -7.187 8.266 1.00 0.00 O ATOM 0 H GLU A 61 -1.046 -3.741 5.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.102 -5.577 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.962 -2.992 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.267 -3.861 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.681 -5.265 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.805 -4.276 8.649 1.00 0.00 H new ATOM 947 N VAL A 62 -3.908 -2.519 5.014 1.00 0.00 N ATOM 948 CA VAL A 62 -5.014 -1.693 4.544 1.00 0.00 C ATOM 949 C VAL A 62 -5.958 -2.494 3.654 1.00 0.00 C ATOM 950 O VAL A 62 -7.172 -2.282 3.669 1.00 0.00 O ATOM 951 CB VAL A 62 -4.506 -0.467 3.762 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.669 0.286 3.135 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.697 0.446 4.670 1.00 0.00 C ATOM 0 H VAL A 62 -3.000 -2.055 4.999 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.553 -1.353 5.428 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.854 -0.814 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.291 1.149 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.203 -0.373 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.349 0.623 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.346 1.307 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.323 0.787 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.841 -0.100 5.066 1.00 0.00 H new ATOM 963 N LEU A 63 -5.395 -3.415 2.881 1.00 0.00 N ATOM 964 CA LEU A 63 -6.187 -4.250 1.984 1.00 0.00 C ATOM 965 C LEU A 63 -6.586 -5.555 2.665 1.00 0.00 C ATOM 966 O LEU A 63 -7.711 -6.029 2.509 1.00 0.00 O ATOM 967 CB LEU A 63 -5.401 -4.548 0.706 1.00 0.00 C ATOM 968 CG LEU A 63 -4.956 -3.332 -0.107 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.916 -3.734 -1.142 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.152 -2.672 -0.778 1.00 0.00 C ATOM 0 H LEU A 63 -4.393 -3.603 2.857 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.095 -3.704 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.516 -5.125 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.014 -5.183 0.066 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.503 -2.610 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.611 -2.856 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.048 -4.160 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.343 -4.474 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.816 -1.808 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.635 -3.386 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.863 -2.348 -0.018 1.00 0.00 H new ATOM 982 N SER A 64 -5.658 -6.129 3.423 1.00 0.00 N ATOM 983 CA SER A 64 -5.912 -7.380 4.127 1.00 0.00 C ATOM 984 C SER A 64 -7.202 -7.295 4.937 1.00 0.00 C ATOM 985 O SER A 64 -7.988 -8.243 4.975 1.00 0.00 O ATOM 986 CB SER A 64 -4.739 -7.718 5.050 1.00 0.00 C ATOM 987 OG SER A 64 -4.736 -9.095 5.387 1.00 0.00 O ATOM 0 H SER A 64 -4.723 -5.747 3.565 1.00 0.00 H new ATOM 0 HA SER A 64 -6.021 -8.170 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.800 -7.458 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.802 -7.118 5.958 1.00 0.00 H new ATOM 0 HG SER A 64 -3.976 -9.286 5.976 1.00 0.00 H new ATOM 993 N ASP A 65 -7.414 -6.154 5.582 1.00 0.00 N ATOM 994 CA ASP A 65 -8.610 -5.943 6.391 1.00 0.00 C ATOM 995 C ASP A 65 -9.802 -5.578 5.512 1.00 0.00 C ATOM 996 O ASP A 65 -9.669 -4.821 4.551 1.00 0.00 O ATOM 997 CB ASP A 65 -8.365 -4.842 7.424 1.00 0.00 C ATOM 998 CG ASP A 65 -7.599 -5.342 8.633 1.00 0.00 C ATOM 999 OD1 ASP A 65 -6.351 -5.328 8.592 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.248 -5.747 9.620 1.00 0.00 O ATOM 0 H ASP A 65 -6.774 -5.360 5.561 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.837 -6.874 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.811 -4.027 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.322 -4.432 7.748 1.00 0.00 H new ATOM 1005 N SER A 66 -10.967 -6.121 5.849 1.00 0.00 N ATOM 1006 CA SER A 66 -12.183 -5.856 5.089 1.00 0.00 C ATOM 1007 C SER A 66 -12.662 -4.425 5.311 1.00 0.00 C ATOM 1008 O SER A 66 -13.125 -3.761 4.383 1.00 0.00 O ATOM 1009 CB SER A 66 -13.283 -6.842 5.486 1.00 0.00 C ATOM 1010 OG SER A 66 -14.482 -6.581 4.777 1.00 0.00 O ATOM 0 H SER A 66 -11.095 -6.747 6.644 1.00 0.00 H new ATOM 0 HA SER A 66 -11.955 -5.984 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.952 -7.861 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.468 -6.773 6.558 1.00 0.00 H new ATOM 0 HG SER A 66 -15.169 -7.226 5.047 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.548 -3.956 6.549 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.968 -2.603 6.896 1.00 0.00 C ATOM 1018 C LYS A 67 -12.130 -1.566 6.155 1.00 0.00 C ATOM 1019 O LYS A 67 -12.667 -0.663 5.512 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.851 -2.383 8.406 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.454 -2.626 8.951 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.428 -2.563 10.468 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.300 -1.131 10.964 1.00 0.00 C ATOM 1024 NZ LYS A 67 -11.131 -1.069 12.442 1.00 0.00 N ATOM 0 H LYS A 67 -12.168 -4.493 7.329 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.009 -2.484 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.150 -1.361 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.551 -3.045 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.098 -3.602 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.769 -1.882 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.340 -3.007 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.594 -3.155 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.447 -0.654 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.187 -0.566 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.047 -0.076 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.956 -1.501 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.271 -1.586 12.715 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.812 -1.702 6.246 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.899 -0.779 5.582 1.00 0.00 C ATOM 1040 C LYS A 68 -9.970 -0.940 4.067 1.00 0.00 C ATOM 1041 O LYS A 68 -10.028 0.045 3.331 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.465 -1.012 6.064 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.107 -0.223 7.312 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.940 -0.851 8.053 1.00 0.00 C ATOM 1045 CE LYS A 68 -7.415 -1.859 9.089 1.00 0.00 C ATOM 1046 NZ LYS A 68 -6.297 -2.342 9.946 1.00 0.00 N ATOM 0 H LYS A 68 -10.351 -2.443 6.774 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.200 0.237 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.326 -2.074 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.774 -0.745 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.855 0.801 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.973 -0.172 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.278 -1.344 7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.357 -0.071 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.182 -1.402 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.879 -2.707 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.080 -3.331 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.455 -1.754 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.574 -2.279 10.946 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.965 -2.188 3.608 1.00 0.00 N ATOM 1061 CA ARG A 69 -10.029 -2.477 2.181 1.00 0.00 C ATOM 1062 C ARG A 69 -11.202 -1.749 1.530 1.00 0.00 C ATOM 1063 O ARG A 69 -11.020 -0.975 0.590 1.00 0.00 O ATOM 1064 CB ARG A 69 -10.158 -3.983 1.949 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.197 -4.373 0.481 1.00 0.00 C ATOM 1066 CD ARG A 69 -8.798 -4.501 -0.100 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.788 -5.272 -1.340 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.738 -6.599 -1.381 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -8.693 -7.298 -0.256 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.732 -7.228 -2.549 1.00 0.00 N ATOM 0 H ARG A 69 -9.917 -3.014 4.204 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.105 -2.123 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.320 -4.489 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.066 -4.340 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.726 -5.319 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.758 -3.626 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.391 -3.507 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.145 -4.980 0.630 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.821 -4.764 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.697 -6.817 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.655 -8.317 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.766 -6.693 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.694 -8.247 -2.579 1.00 0.00 H new ATOM 1084 N SER A 70 -12.404 -2.003 2.037 1.00 0.00 N ATOM 1085 CA SER A 70 -13.607 -1.376 1.503 1.00 0.00 C ATOM 1086 C SER A 70 -13.551 0.139 1.674 1.00 0.00 C ATOM 1087 O SER A 70 -13.857 0.892 0.748 1.00 0.00 O ATOM 1088 CB SER A 70 -14.850 -1.933 2.199 1.00 0.00 C ATOM 1089 OG SER A 70 -15.343 -3.077 1.524 1.00 0.00 O ATOM 0 H SER A 70 -12.571 -2.639 2.817 1.00 0.00 H new ATOM 0 HA SER A 70 -13.663 -1.603 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.608 -2.191 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.624 -1.167 2.236 1.00 0.00 H new ATOM 0 HG SER A 70 -16.136 -3.415 1.990 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.158 0.580 2.864 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.061 2.006 3.158 1.00 0.00 C ATOM 1097 C LEU A 71 -12.161 2.710 2.148 1.00 0.00 C ATOM 1098 O LEU A 71 -12.475 3.804 1.678 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.523 2.219 4.574 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.569 2.274 5.688 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.977 1.783 7.000 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.112 3.687 5.841 1.00 0.00 C ATOM 0 H LEU A 71 -12.901 -0.029 3.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.060 2.436 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.823 1.415 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.956 3.150 4.589 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.395 1.617 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.736 1.829 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.638 0.754 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.132 2.414 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.855 3.707 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.296 4.366 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.575 4.002 4.906 1.00 0.00 H new ATOM 1114 N TYR A 72 -11.042 2.075 1.817 1.00 0.00 N ATOM 1115 CA TYR A 72 -10.096 2.641 0.863 1.00 0.00 C ATOM 1116 C TYR A 72 -10.752 2.842 -0.500 1.00 0.00 C ATOM 1117 O TYR A 72 -10.484 3.825 -1.191 1.00 0.00 O ATOM 1118 CB TYR A 72 -8.874 1.731 0.724 1.00 0.00 C ATOM 1119 CG TYR A 72 -7.880 2.207 -0.311 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -7.381 3.503 -0.281 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.439 1.359 -1.320 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.473 3.941 -1.225 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.531 1.788 -2.268 1.00 0.00 C ATOM 1124 CZ TYR A 72 -6.051 3.080 -2.217 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.146 3.513 -3.159 1.00 0.00 O ATOM 0 H TYR A 72 -10.768 1.168 2.195 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.776 3.613 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.374 1.658 1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.207 0.727 0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.709 4.180 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.813 0.347 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.095 4.952 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.199 1.116 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.952 2.785 -3.786 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.612 1.903 -0.880 1.00 0.00 N ATOM 1136 CA ASP A 73 -12.308 1.977 -2.159 1.00 0.00 C ATOM 1137 C ASP A 73 -13.308 3.129 -2.168 1.00 0.00 C ATOM 1138 O ASP A 73 -13.214 4.038 -2.993 1.00 0.00 O ATOM 1139 CB ASP A 73 -13.027 0.658 -2.449 1.00 0.00 C ATOM 1140 CG ASP A 73 -14.138 0.817 -3.469 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -15.233 1.278 -3.086 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -13.912 0.479 -4.650 1.00 0.00 O ATOM 0 H ASP A 73 -11.844 1.082 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.567 2.157 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.305 -0.074 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.442 0.262 -1.522 1.00 0.00 H new ATOM 1147 N ARG A 74 -14.264 3.083 -1.247 1.00 0.00 N ATOM 1148 CA ARG A 74 -15.283 4.121 -1.151 1.00 0.00 C ATOM 1149 C ARG A 74 -14.643 5.496 -0.983 1.00 0.00 C ATOM 1150 O ARG A 74 -15.040 6.460 -1.639 1.00 0.00 O ATOM 1151 CB ARG A 74 -16.222 3.837 0.024 1.00 0.00 C ATOM 1152 CG ARG A 74 -15.514 3.774 1.367 1.00 0.00 C ATOM 1153 CD ARG A 74 -16.465 3.359 2.479 1.00 0.00 C ATOM 1154 NE ARG A 74 -17.504 4.359 2.712 1.00 0.00 N ATOM 1155 CZ ARG A 74 -18.666 4.375 2.069 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -18.936 3.451 1.159 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -19.560 5.318 2.337 1.00 0.00 N ATOM 0 H ARG A 74 -14.354 2.338 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.859 4.117 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.987 4.612 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.735 2.891 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.687 3.066 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.084 4.748 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.929 2.407 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.901 3.201 3.398 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.327 5.085 3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.251 2.725 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.829 3.466 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.355 6.031 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.452 5.330 1.843 1.00 0.00 H new ATOM 1171 N ALA A 75 -13.653 5.579 -0.102 1.00 0.00 N ATOM 1172 CA ALA A 75 -12.957 6.835 0.150 1.00 0.00 C ATOM 1173 C ALA A 75 -12.093 7.233 -1.041 1.00 0.00 C ATOM 1174 O ALA A 75 -12.040 8.402 -1.420 1.00 0.00 O ATOM 1175 CB ALA A 75 -12.108 6.725 1.408 1.00 0.00 C ATOM 0 H ALA A 75 -13.314 4.791 0.450 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.706 7.613 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.594 7.670 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.748 6.496 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.373 5.930 1.282 1.00 0.00 H new ATOM 1181 N GLY A 76 -11.415 6.251 -1.629 1.00 0.00 N ATOM 1182 CA GLY A 76 -10.561 6.520 -2.771 1.00 0.00 C ATOM 1183 C GLY A 76 -11.111 7.617 -3.661 1.00 0.00 C ATOM 1184 O GLY A 76 -10.825 8.797 -3.452 1.00 0.00 O ATOM 0 H GLY A 76 -11.442 5.275 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.569 6.804 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.443 5.607 -3.355 1.00 0.00 H new ATOM 1188 N CYS A 77 -11.901 7.229 -4.656 1.00 0.00 N ATOM 1189 CA CYS A 77 -12.490 8.189 -5.583 1.00 0.00 C ATOM 1190 C CYS A 77 -13.844 8.675 -5.074 1.00 0.00 C ATOM 1191 O CYS A 77 -14.046 9.871 -4.864 1.00 0.00 O ATOM 1192 CB CYS A 77 -12.648 7.560 -6.968 1.00 0.00 C ATOM 1193 SG CYS A 77 -11.092 7.022 -7.716 1.00 0.00 S ATOM 0 H CYS A 77 -12.148 6.257 -4.842 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.820 9.046 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -13.318 6.703 -6.892 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -13.127 8.281 -7.630 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.329 6.502 -8.884 1.00 0.00 H new ATOM 1199 N ASP A 78 -14.767 7.740 -4.881 1.00 0.00 N ATOM 1200 CA ASP A 78 -16.102 8.073 -4.398 1.00 0.00 C ATOM 1201 C ASP A 78 -16.767 6.858 -3.757 1.00 0.00 C ATOM 1202 O ASP A 78 -16.508 5.720 -4.146 1.00 0.00 O ATOM 1203 CB ASP A 78 -16.967 8.597 -5.545 1.00 0.00 C ATOM 1204 CG ASP A 78 -16.436 9.893 -6.126 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -16.749 10.965 -5.568 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -15.707 9.834 -7.138 1.00 0.00 O ATOM 0 H ASP A 78 -14.616 6.746 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.004 8.852 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.018 7.844 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.985 8.753 -5.187 1.00 0.00 H new ATOM 1211 N SER A 79 -17.624 7.110 -2.772 1.00 0.00 N ATOM 1212 CA SER A 79 -18.322 6.037 -2.074 1.00 0.00 C ATOM 1213 C SER A 79 -19.636 5.699 -2.772 1.00 0.00 C ATOM 1214 O SER A 79 -20.189 6.517 -3.507 1.00 0.00 O ATOM 1215 CB SER A 79 -18.590 6.435 -0.621 1.00 0.00 C ATOM 1216 OG SER A 79 -19.622 7.402 -0.540 1.00 0.00 O ATOM 0 H SER A 79 -17.851 8.047 -2.440 1.00 0.00 H new ATOM 0 HA SER A 79 -17.685 5.152 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.868 5.553 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.678 6.833 -0.175 1.00 0.00 H new ATOM 0 HG SER A 79 -19.776 7.639 0.399 1.00 0.00 H new ATOM 1222 N TRP A 80 -20.129 4.489 -2.536 1.00 0.00 N ATOM 1223 CA TRP A 80 -21.379 4.042 -3.142 1.00 0.00 C ATOM 1224 C TRP A 80 -22.485 5.071 -2.931 1.00 0.00 C ATOM 1225 O TRP A 80 -23.107 5.531 -3.888 1.00 0.00 O ATOM 1226 CB TRP A 80 -21.801 2.694 -2.555 1.00 0.00 C ATOM 1227 CG TRP A 80 -22.582 1.847 -3.513 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -22.111 0.800 -4.253 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -23.971 1.977 -3.836 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -23.124 0.272 -5.017 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -24.275 0.975 -4.778 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -24.987 2.841 -3.419 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -25.552 0.817 -5.309 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -26.254 2.682 -3.948 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -26.528 1.676 -4.884 1.00 0.00 C ATOM 0 H TRP A 80 -19.683 3.800 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 80 -21.214 3.928 -4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -20.911 2.148 -2.241 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -22.401 2.867 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -21.093 0.440 -4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -23.033 -0.516 -5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -24.786 3.618 -2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -25.765 0.043 -6.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -27.047 3.345 -3.634 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -27.529 1.577 -5.277 1.00 0.00 H new ATOM 1246 N ARG A 81 -22.724 5.427 -1.673 1.00 0.00 N ATOM 1247 CA ARG A 81 -23.756 6.400 -1.337 1.00 0.00 C ATOM 1248 C ARG A 81 -23.803 7.521 -2.372 1.00 0.00 C ATOM 1249 O ARG A 81 -24.850 7.796 -2.956 1.00 0.00 O ATOM 1250 CB ARG A 81 -23.501 6.986 0.053 1.00 0.00 C ATOM 1251 CG ARG A 81 -23.673 5.979 1.179 1.00 0.00 C ATOM 1252 CD ARG A 81 -24.024 6.664 2.490 1.00 0.00 C ATOM 1253 NE ARG A 81 -24.320 5.701 3.548 1.00 0.00 N ATOM 1254 CZ ARG A 81 -25.073 5.981 4.606 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -25.603 7.188 4.746 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -25.297 5.052 5.527 1.00 0.00 N ATOM 0 H ARG A 81 -22.217 5.056 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 81 -24.718 5.887 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -22.489 7.389 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -24.182 7.821 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -24.457 5.269 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -22.753 5.407 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -23.195 7.300 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -24.886 7.314 2.340 1.00 0.00 H new ATOM 0 HE ARG A 81 -23.927 4.763 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -25.433 7.905 4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -26.181 7.400 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.891 4.122 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -25.875 5.268 6.339 1.00 0.00 H new ATOM 1270 N ALA A 82 -22.661 8.165 -2.591 1.00 0.00 N ATOM 1271 CA ALA A 82 -22.571 9.254 -3.556 1.00 0.00 C ATOM 1272 C ALA A 82 -23.468 10.420 -3.152 1.00 0.00 C ATOM 1273 O ALA A 82 -24.134 11.023 -3.992 1.00 0.00 O ATOM 1274 CB ALA A 82 -22.941 8.759 -4.946 1.00 0.00 C ATOM 0 H ALA A 82 -21.786 7.951 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 82 -21.541 9.609 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -22.870 9.583 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -22.258 7.963 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -23.961 8.376 -4.936 1.00 0.00 H new ATOM 1280 N GLY A 83 -23.480 10.731 -1.859 1.00 0.00 N ATOM 1281 CA GLY A 83 -24.298 11.823 -1.367 1.00 0.00 C ATOM 1282 C GLY A 83 -23.886 12.278 0.019 1.00 0.00 C ATOM 1283 O GLY A 83 -24.728 12.448 0.900 1.00 0.00 O ATOM 0 H GLY A 83 -22.938 10.246 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -24.229 12.664 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -25.342 11.511 -1.348 1.00 0.00 H new ATOM 1287 N GLY A 84 -22.585 12.473 0.214 1.00 0.00 N ATOM 1288 CA GLY A 84 -22.086 12.907 1.506 1.00 0.00 C ATOM 1289 C GLY A 84 -21.781 14.391 1.541 1.00 0.00 C ATOM 1290 O GLY A 84 -22.664 15.219 1.322 1.00 0.00 O ATOM 0 H GLY A 84 -21.868 12.338 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -22.823 12.673 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.183 12.348 1.750 1.00 0.00 H new ATOM 1294 N GLY A 85 -20.525 14.729 1.819 1.00 0.00 N ATOM 1295 CA GLY A 85 -20.129 16.124 1.879 1.00 0.00 C ATOM 1296 C GLY A 85 -18.683 16.299 2.297 1.00 0.00 C ATOM 1297 O GLY A 85 -18.332 16.071 3.455 1.00 0.00 O ATOM 0 H GLY A 85 -19.776 14.062 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -20.280 16.583 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.774 16.651 2.582 1.00 0.00 H new ATOM 1301 N ALA A 86 -17.840 16.702 1.352 1.00 0.00 N ATOM 1302 CA ALA A 86 -16.423 16.907 1.629 1.00 0.00 C ATOM 1303 C ALA A 86 -16.176 18.284 2.234 1.00 0.00 C ATOM 1304 O ALA A 86 -16.560 19.303 1.661 1.00 0.00 O ATOM 1305 CB ALA A 86 -15.607 16.733 0.357 1.00 0.00 C ATOM 0 H ALA A 86 -18.113 16.893 0.388 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.108 16.158 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -14.551 16.889 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.751 15.725 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -15.933 17.460 -0.387 1.00 0.00 H new ATOM 1311 N SER A 87 -15.532 18.308 3.397 1.00 0.00 N ATOM 1312 CA SER A 87 -15.237 19.560 4.082 1.00 0.00 C ATOM 1313 C SER A 87 -13.988 20.217 3.502 1.00 0.00 C ATOM 1314 O SER A 87 -13.063 19.536 3.061 1.00 0.00 O ATOM 1315 CB SER A 87 -15.048 19.314 5.580 1.00 0.00 C ATOM 1316 OG SER A 87 -13.870 18.566 5.830 1.00 0.00 O ATOM 0 H SER A 87 -15.205 17.474 3.884 1.00 0.00 H new ATOM 0 HA SER A 87 -16.082 20.233 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.995 20.268 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 87 -15.912 18.780 5.976 1.00 0.00 H new ATOM 0 HG SER A 87 -13.771 18.424 6.795 1.00 0.00 H new ATOM 1322 N GLY A 88 -13.969 21.546 3.505 1.00 0.00 N ATOM 1323 CA GLY A 88 -12.831 22.274 2.976 1.00 0.00 C ATOM 1324 C GLY A 88 -13.236 23.554 2.274 1.00 0.00 C ATOM 1325 O GLY A 88 -13.116 23.684 1.055 1.00 0.00 O ATOM 0 H GLY A 88 -14.722 22.132 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.145 22.511 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.289 21.636 2.278 1.00 0.00 H new ATOM 1329 N PRO A 89 -13.729 24.529 3.051 1.00 0.00 N ATOM 1330 CA PRO A 89 -14.165 25.823 2.517 1.00 0.00 C ATOM 1331 C PRO A 89 -12.996 26.671 2.027 1.00 0.00 C ATOM 1332 O PRO A 89 -11.854 26.468 2.439 1.00 0.00 O ATOM 1333 CB PRO A 89 -14.845 26.491 3.715 1.00 0.00 C ATOM 1334 CG PRO A 89 -14.214 25.860 4.909 1.00 0.00 C ATOM 1335 CD PRO A 89 -13.900 24.444 4.511 1.00 0.00 C ATOM 0 HA PRO A 89 -14.816 25.708 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.689 27.570 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -15.922 26.325 3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.309 26.393 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.888 25.884 5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -12.997 24.080 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.706 23.762 4.782 1.00 0.00 H new ATOM 1343 N SER A 90 -13.289 27.622 1.146 1.00 0.00 N ATOM 1344 CA SER A 90 -12.262 28.499 0.597 1.00 0.00 C ATOM 1345 C SER A 90 -12.000 29.678 1.529 1.00 0.00 C ATOM 1346 O SER A 90 -12.802 30.609 1.612 1.00 0.00 O ATOM 1347 CB SER A 90 -12.680 29.009 -0.783 1.00 0.00 C ATOM 1348 OG SER A 90 -11.564 29.502 -1.504 1.00 0.00 O ATOM 0 H SER A 90 -14.230 27.805 0.797 1.00 0.00 H new ATOM 0 HA SER A 90 -11.342 27.923 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.152 28.203 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.423 29.799 -0.673 1.00 0.00 H new ATOM 0 HG SER A 90 -11.857 29.820 -2.383 1.00 0.00 H new ATOM 1354 N SER A 91 -10.871 29.631 2.230 1.00 0.00 N ATOM 1355 CA SER A 91 -10.504 30.693 3.159 1.00 0.00 C ATOM 1356 C SER A 91 -10.295 32.013 2.422 1.00 0.00 C ATOM 1357 O SER A 91 -10.471 33.089 2.991 1.00 0.00 O ATOM 1358 CB SER A 91 -9.232 30.315 3.922 1.00 0.00 C ATOM 1359 OG SER A 91 -8.107 30.299 3.060 1.00 0.00 O ATOM 0 H SER A 91 -10.195 28.869 2.172 1.00 0.00 H new ATOM 0 HA SER A 91 -11.322 30.819 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.064 31.026 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.357 29.334 4.381 1.00 0.00 H new ATOM 0 HG SER A 91 -7.307 30.057 3.571 1.00 0.00 H new ATOM 1365 N GLY A 92 -9.919 31.920 1.150 1.00 0.00 N ATOM 1366 CA GLY A 92 -9.692 33.112 0.355 1.00 0.00 C ATOM 1367 C GLY A 92 -9.291 32.790 -1.071 1.00 0.00 C ATOM 1368 O GLY A 92 -9.304 33.663 -1.939 1.00 0.00 O ATOM 0 H GLY A 92 -9.768 31.040 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.598 33.717 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.912 33.713 0.822 1.00 0.00 H new TER 1372 GLY A 92