USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 853 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 Single : A 1 GLY N :NH3+ -109:sc= 0.0656 (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 21:sc= 0.531 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 28:sc= 0.0027 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= -1.89! (180deg=-3.06!) USER MOD Single : A 54 THR OG1 : rot 160:sc= 1.93 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.014) USER MOD Single : A 73 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= -0.508 K(o=-0.51,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 171:sc= -1.75 USER MOD Single : A 85 CYS SG : rot -116:sc= -0.692 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0291) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -5.19 K(o=-5.2,f=-6.6!) USER MOD Single : A 96 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot -83:sc= 0.0433 USER MOD Single : A 112 ASN :FLIP amide:sc= -3.98! C(o=-5.1!,f=-4!) USER MOD Single : A 117 SER OG : rot -56:sc= 0.0102 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.858 -56.528 -19.187 1.00 0.00 N ATOM 2 CA GLY A 1 14.356 -55.992 -17.892 1.00 0.00 C ATOM 3 C GLY A 1 14.377 -57.029 -16.787 1.00 0.00 C ATOM 4 O GLY A 1 14.638 -58.205 -17.036 1.00 0.00 O ATOM 0 H1 GLY A 1 15.786 -56.110 -19.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.950 -57.562 -19.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.188 -56.287 -19.945 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.965 -55.138 -17.596 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.337 -55.627 -18.024 1.00 0.00 H new ATOM 10 N SER A 2 14.103 -56.592 -15.562 1.00 0.00 N ATOM 11 CA SER A 2 14.094 -57.491 -14.414 1.00 0.00 C ATOM 12 C SER A 2 13.472 -56.813 -13.198 1.00 0.00 C ATOM 13 O SER A 2 13.480 -55.588 -13.085 1.00 0.00 O ATOM 14 CB SER A 2 15.515 -57.948 -14.086 1.00 0.00 C ATOM 15 OG SER A 2 16.435 -56.875 -14.192 1.00 0.00 O ATOM 0 H SER A 2 13.884 -55.621 -15.339 1.00 0.00 H new ATOM 0 HA SER A 2 13.491 -58.362 -14.671 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.544 -58.357 -13.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.808 -58.750 -14.764 1.00 0.00 H new ATOM 0 HG SER A 2 17.336 -57.194 -13.975 1.00 0.00 H new ATOM 21 N SER A 3 12.931 -57.619 -12.289 1.00 0.00 N ATOM 22 CA SER A 3 12.305 -57.097 -11.081 1.00 0.00 C ATOM 23 C SER A 3 13.163 -57.388 -9.854 1.00 0.00 C ATOM 24 O SER A 3 13.180 -56.612 -8.899 1.00 0.00 O ATOM 25 CB SER A 3 10.913 -57.706 -10.900 1.00 0.00 C ATOM 26 OG SER A 3 10.969 -59.122 -10.912 1.00 0.00 O ATOM 0 H SER A 3 12.914 -58.636 -12.367 1.00 0.00 H new ATOM 0 HA SER A 3 12.211 -56.016 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.483 -57.364 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.255 -57.358 -11.696 1.00 0.00 H new ATOM 0 HG SER A 3 10.067 -59.486 -10.793 1.00 0.00 H new ATOM 32 N GLY A 4 13.874 -58.510 -9.887 1.00 0.00 N ATOM 33 CA GLY A 4 14.724 -58.883 -8.772 1.00 0.00 C ATOM 34 C GLY A 4 14.879 -60.385 -8.637 1.00 0.00 C ATOM 35 O GLY A 4 15.555 -61.020 -9.444 1.00 0.00 O ATOM 0 H GLY A 4 13.877 -59.168 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.707 -58.430 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.306 -58.480 -7.850 1.00 0.00 H new ATOM 39 N SER A 5 14.250 -60.953 -7.613 1.00 0.00 N ATOM 40 CA SER A 5 14.321 -62.389 -7.374 1.00 0.00 C ATOM 41 C SER A 5 13.110 -62.869 -6.579 1.00 0.00 C ATOM 42 O SER A 5 12.957 -62.539 -5.404 1.00 0.00 O ATOM 43 CB SER A 5 15.608 -62.739 -6.625 1.00 0.00 C ATOM 44 OG SER A 5 16.698 -62.873 -7.520 1.00 0.00 O ATOM 0 H SER A 5 13.685 -60.440 -6.936 1.00 0.00 H new ATOM 0 HA SER A 5 14.322 -62.893 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.828 -61.963 -5.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.470 -63.669 -6.073 1.00 0.00 H new ATOM 0 HG SER A 5 16.496 -62.400 -8.354 1.00 0.00 H new ATOM 50 N SER A 6 12.254 -63.650 -7.232 1.00 0.00 N ATOM 51 CA SER A 6 11.054 -64.178 -6.592 1.00 0.00 C ATOM 52 C SER A 6 10.115 -63.051 -6.170 1.00 0.00 C ATOM 53 O SER A 6 9.135 -62.758 -6.855 1.00 0.00 O ATOM 54 CB SER A 6 11.429 -65.033 -5.378 1.00 0.00 C ATOM 55 OG SER A 6 12.080 -66.228 -5.777 1.00 0.00 O ATOM 0 H SER A 6 12.370 -63.931 -8.206 1.00 0.00 H new ATOM 0 HA SER A 6 10.533 -64.802 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.081 -64.464 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.531 -65.276 -4.809 1.00 0.00 H new ATOM 0 HG SER A 6 12.311 -66.755 -4.984 1.00 0.00 H new ATOM 61 N GLY A 7 10.420 -62.421 -5.040 1.00 0.00 N ATOM 62 CA GLY A 7 9.592 -61.334 -4.550 1.00 0.00 C ATOM 63 C GLY A 7 10.398 -60.090 -4.228 1.00 0.00 C ATOM 64 O GLY A 7 9.976 -58.974 -4.532 1.00 0.00 O ATOM 0 H GLY A 7 11.225 -62.644 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.837 -61.091 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.061 -61.661 -3.656 1.00 0.00 H new ATOM 68 N VAL A 8 11.560 -60.282 -3.612 1.00 0.00 N ATOM 69 CA VAL A 8 12.427 -59.167 -3.248 1.00 0.00 C ATOM 70 C VAL A 8 12.769 -58.313 -4.464 1.00 0.00 C ATOM 71 O VAL A 8 12.462 -58.680 -5.599 1.00 0.00 O ATOM 72 CB VAL A 8 13.734 -59.661 -2.601 1.00 0.00 C ATOM 73 CG1 VAL A 8 13.448 -60.337 -1.268 1.00 0.00 C ATOM 74 CG2 VAL A 8 14.470 -60.605 -3.539 1.00 0.00 C ATOM 0 H VAL A 8 11.923 -61.200 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 8 11.876 -58.563 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 8 14.374 -58.799 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.383 -60.680 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.967 -59.627 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.788 -61.190 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.391 -60.944 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.838 -61.465 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.709 -60.084 -4.466 1.00 0.00 H new ATOM 84 N GLU A 9 13.406 -57.172 -4.220 1.00 0.00 N ATOM 85 CA GLU A 9 13.789 -56.266 -5.294 1.00 0.00 C ATOM 86 C GLU A 9 14.972 -55.397 -4.877 1.00 0.00 C ATOM 87 O GLU A 9 14.804 -54.390 -4.189 1.00 0.00 O ATOM 88 CB GLU A 9 12.605 -55.380 -5.689 1.00 0.00 C ATOM 89 CG GLU A 9 12.916 -54.417 -6.823 1.00 0.00 C ATOM 90 CD GLU A 9 12.329 -53.038 -6.593 1.00 0.00 C ATOM 91 OE1 GLU A 9 12.586 -52.454 -5.520 1.00 0.00 O ATOM 92 OE2 GLU A 9 11.612 -52.542 -7.488 1.00 0.00 O ATOM 0 H GLU A 9 13.667 -56.854 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 9 14.087 -56.867 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.769 -56.015 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.282 -54.810 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.997 -54.333 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.527 -54.823 -7.757 1.00 0.00 H new ATOM 99 N HIS A 10 16.169 -55.795 -5.297 1.00 0.00 N ATOM 100 CA HIS A 10 17.381 -55.054 -4.967 1.00 0.00 C ATOM 101 C HIS A 10 18.059 -54.529 -6.229 1.00 0.00 C ATOM 102 O HIS A 10 18.784 -55.257 -6.905 1.00 0.00 O ATOM 103 CB HIS A 10 18.351 -55.944 -4.185 1.00 0.00 C ATOM 104 CG HIS A 10 18.239 -55.788 -2.700 1.00 0.00 C ATOM 105 ND1 HIS A 10 17.306 -56.442 -1.927 1.00 0.00 N ATOM 106 CD2 HIS A 10 18.971 -55.032 -1.843 1.00 0.00 C ATOM 107 CE1 HIS A 10 17.494 -56.072 -0.654 1.00 0.00 C ATOM 108 NE2 HIS A 10 18.493 -55.217 -0.549 1.00 0.00 N ATOM 0 H HIS A 10 16.325 -56.627 -5.867 1.00 0.00 H new ATOM 0 HA HIS A 10 17.099 -54.203 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 10 18.168 -56.986 -4.448 1.00 0.00 H new ATOM 0 HB3 HIS A 10 19.371 -55.712 -4.491 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.793 -54.389 -2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.905 -56.427 0.178 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.843 -54.781 0.304 1.00 0.00 H new ATOM 116 N GLU A 11 17.817 -53.259 -6.539 1.00 0.00 N ATOM 117 CA GLU A 11 18.404 -52.635 -7.719 1.00 0.00 C ATOM 118 C GLU A 11 18.330 -51.115 -7.626 1.00 0.00 C ATOM 119 O GLU A 11 19.318 -50.419 -7.860 1.00 0.00 O ATOM 120 CB GLU A 11 17.692 -53.117 -8.984 1.00 0.00 C ATOM 121 CG GLU A 11 18.242 -54.422 -9.535 1.00 0.00 C ATOM 122 CD GLU A 11 17.871 -54.644 -10.988 1.00 0.00 C ATOM 123 OE1 GLU A 11 16.725 -54.319 -11.364 1.00 0.00 O ATOM 124 OE2 GLU A 11 18.725 -55.146 -11.749 1.00 0.00 O ATOM 0 H GLU A 11 17.219 -52.642 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 11 19.453 -52.926 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.631 -53.243 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.772 -52.347 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.328 -54.425 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.866 -55.252 -8.937 1.00 0.00 H new ATOM 131 N GLN A 12 17.152 -50.605 -7.283 1.00 0.00 N ATOM 132 CA GLN A 12 16.948 -49.165 -7.159 1.00 0.00 C ATOM 133 C GLN A 12 16.127 -48.837 -5.917 1.00 0.00 C ATOM 134 O GLN A 12 16.508 -47.982 -5.118 1.00 0.00 O ATOM 135 CB GLN A 12 16.250 -48.620 -8.408 1.00 0.00 C ATOM 136 CG GLN A 12 17.212 -48.071 -9.450 1.00 0.00 C ATOM 137 CD GLN A 12 17.554 -46.612 -9.218 1.00 0.00 C ATOM 138 OE1 GLN A 12 17.340 -46.078 -8.130 1.00 0.00 O ATOM 139 NE2 GLN A 12 18.087 -45.959 -10.244 1.00 0.00 N ATOM 0 H GLN A 12 16.324 -51.167 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 12 17.924 -48.690 -7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.655 -49.415 -8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.558 -47.831 -8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.128 -48.661 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.772 -48.184 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.247 -46.442 -11.128 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.337 -44.975 -10.148 1.00 0.00 H new ATOM 148 N GLN A 13 14.998 -49.521 -5.761 1.00 0.00 N ATOM 149 CA GLN A 13 14.123 -49.301 -4.615 1.00 0.00 C ATOM 150 C GLN A 13 13.611 -47.865 -4.588 1.00 0.00 C ATOM 151 O GLN A 13 14.160 -46.987 -5.254 1.00 0.00 O ATOM 152 CB GLN A 13 14.862 -49.618 -3.313 1.00 0.00 C ATOM 153 CG GLN A 13 14.008 -50.350 -2.291 1.00 0.00 C ATOM 154 CD GLN A 13 14.153 -49.779 -0.894 1.00 0.00 C ATOM 155 OE1 GLN A 13 15.197 -49.922 -0.258 1.00 0.00 O ATOM 156 NE2 GLN A 13 13.103 -49.129 -0.409 1.00 0.00 N ATOM 0 H GLN A 13 14.668 -50.232 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 13 13.267 -49.970 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.739 -50.223 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.222 -48.688 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.962 -50.299 -2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.285 -51.404 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.257 -49.034 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.141 -48.724 0.526 1.00 0.00 H new ATOM 165 N VAL A 14 12.556 -47.632 -3.813 1.00 0.00 N ATOM 166 CA VAL A 14 11.970 -46.302 -3.699 1.00 0.00 C ATOM 167 C VAL A 14 11.933 -45.839 -2.247 1.00 0.00 C ATOM 168 O VAL A 14 11.406 -46.533 -1.377 1.00 0.00 O ATOM 169 CB VAL A 14 10.541 -46.266 -4.273 1.00 0.00 C ATOM 170 CG1 VAL A 14 10.574 -46.304 -5.793 1.00 0.00 C ATOM 171 CG2 VAL A 14 9.715 -47.418 -3.722 1.00 0.00 C ATOM 0 H VAL A 14 12.090 -48.347 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 14 12.603 -45.628 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 14 10.070 -45.332 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.555 -46.278 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.126 -45.442 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.064 -47.220 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.709 -47.376 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.182 -48.364 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.662 -47.341 -2.636 1.00 0.00 H new ATOM 181 N THR A 15 12.494 -44.662 -1.992 1.00 0.00 N ATOM 182 CA THR A 15 12.527 -44.105 -0.644 1.00 0.00 C ATOM 183 C THR A 15 11.142 -43.623 -0.221 1.00 0.00 C ATOM 184 O THR A 15 10.518 -44.202 0.667 1.00 0.00 O ATOM 185 CB THR A 15 13.527 -42.949 -0.568 1.00 0.00 C ATOM 186 OG1 THR A 15 13.293 -42.011 -1.606 1.00 0.00 O ATOM 187 CG2 THR A 15 14.969 -43.398 -0.668 1.00 0.00 C ATOM 0 H THR A 15 12.932 -44.075 -2.701 1.00 0.00 H new ATOM 0 HA THR A 15 12.843 -44.893 0.039 1.00 0.00 H new ATOM 0 HB THR A 15 13.372 -42.497 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.942 -41.280 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.625 -42.530 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.195 -44.082 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.127 -43.906 -1.619 1.00 0.00 H new ATOM 195 N GLU A 16 10.669 -42.560 -0.862 1.00 0.00 N ATOM 196 CA GLU A 16 9.357 -42.000 -0.553 1.00 0.00 C ATOM 197 C GLU A 16 9.305 -41.501 0.889 1.00 0.00 C ATOM 198 O GLU A 16 8.398 -41.848 1.647 1.00 0.00 O ATOM 199 CB GLU A 16 8.266 -43.048 -0.785 1.00 0.00 C ATOM 200 CG GLU A 16 6.855 -42.495 -0.662 1.00 0.00 C ATOM 201 CD GLU A 16 5.930 -43.010 -1.747 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.131 -44.155 -2.204 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.006 -42.269 -2.140 1.00 0.00 O ATOM 0 H GLU A 16 11.174 -42.068 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 16 9.183 -41.153 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.393 -43.479 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.394 -43.858 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.448 -42.761 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.890 -41.406 -0.706 1.00 0.00 H new ATOM 210 N SER A 17 10.287 -40.687 1.264 1.00 0.00 N ATOM 211 CA SER A 17 10.356 -40.142 2.616 1.00 0.00 C ATOM 212 C SER A 17 9.410 -38.953 2.780 1.00 0.00 C ATOM 213 O SER A 17 8.489 -38.994 3.596 1.00 0.00 O ATOM 214 CB SER A 17 11.790 -39.720 2.945 1.00 0.00 C ATOM 215 OG SER A 17 12.482 -40.752 3.627 1.00 0.00 O ATOM 0 H SER A 17 11.046 -40.390 0.651 1.00 0.00 H new ATOM 0 HA SER A 17 10.045 -40.923 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.319 -39.470 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.776 -38.820 3.560 1.00 0.00 H new ATOM 0 HG SER A 17 13.396 -40.458 3.824 1.00 0.00 H new ATOM 221 N PRO A 18 9.626 -37.872 2.009 1.00 0.00 N ATOM 222 CA PRO A 18 8.787 -36.672 2.082 1.00 0.00 C ATOM 223 C PRO A 18 7.423 -36.876 1.431 1.00 0.00 C ATOM 224 O PRO A 18 7.247 -37.767 0.601 1.00 0.00 O ATOM 225 CB PRO A 18 9.598 -35.630 1.311 1.00 0.00 C ATOM 226 CG PRO A 18 10.395 -36.422 0.334 1.00 0.00 C ATOM 227 CD PRO A 18 10.705 -37.732 1.010 1.00 0.00 C ATOM 0 HA PRO A 18 8.568 -36.388 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.948 -34.916 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.243 -35.057 1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.834 -36.582 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.311 -35.897 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.704 -38.559 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.688 -37.717 1.481 1.00 0.00 H new ATOM 235 N SER A 19 6.461 -36.043 1.815 1.00 0.00 N ATOM 236 CA SER A 19 5.111 -36.128 1.270 1.00 0.00 C ATOM 237 C SER A 19 4.385 -34.793 1.402 1.00 0.00 C ATOM 238 O SER A 19 3.212 -34.747 1.776 1.00 0.00 O ATOM 239 CB SER A 19 4.321 -37.228 1.982 1.00 0.00 C ATOM 240 OG SER A 19 4.317 -37.027 3.385 1.00 0.00 O ATOM 0 H SER A 19 6.592 -35.301 2.502 1.00 0.00 H new ATOM 0 HA SER A 19 5.187 -36.374 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.296 -37.242 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.757 -38.200 1.752 1.00 0.00 H new ATOM 0 HG SER A 19 3.804 -37.742 3.816 1.00 0.00 H new ATOM 246 N LEU A 20 5.089 -33.709 1.091 1.00 0.00 N ATOM 247 CA LEU A 20 4.513 -32.372 1.174 1.00 0.00 C ATOM 248 C LEU A 20 4.087 -32.051 2.604 1.00 0.00 C ATOM 249 O LEU A 20 3.056 -31.415 2.828 1.00 0.00 O ATOM 250 CB LEU A 20 3.313 -32.249 0.232 1.00 0.00 C ATOM 251 CG LEU A 20 3.657 -31.844 -1.203 1.00 0.00 C ATOM 252 CD1 LEU A 20 3.778 -33.074 -2.090 1.00 0.00 C ATOM 253 CD2 LEU A 20 2.610 -30.888 -1.753 1.00 0.00 C ATOM 0 H LEU A 20 6.060 -33.731 0.779 1.00 0.00 H new ATOM 0 HA LEU A 20 5.277 -31.656 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.789 -33.205 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.620 -31.516 0.644 1.00 0.00 H new ATOM 0 HG LEU A 20 4.619 -31.331 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.023 -32.767 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.566 -33.723 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.832 -33.615 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.871 -30.611 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.634 -31.374 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.573 -29.993 -1.132 1.00 0.00 H new ATOM 265 N ALA A 21 4.887 -32.494 3.567 1.00 0.00 N ATOM 266 CA ALA A 21 4.594 -32.253 4.974 1.00 0.00 C ATOM 267 C ALA A 21 5.730 -31.494 5.650 1.00 0.00 C ATOM 268 O ALA A 21 6.647 -32.096 6.210 1.00 0.00 O ATOM 269 CB ALA A 21 4.338 -33.571 5.691 1.00 0.00 C ATOM 0 H ALA A 21 5.743 -33.022 3.399 1.00 0.00 H new ATOM 0 HA ALA A 21 3.696 -31.638 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.120 -33.377 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.488 -34.076 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.222 -34.205 5.614 1.00 0.00 H new ATOM 275 N SER A 22 5.664 -30.168 5.594 1.00 0.00 N ATOM 276 CA SER A 22 6.688 -29.325 6.201 1.00 0.00 C ATOM 277 C SER A 22 6.077 -28.043 6.761 1.00 0.00 C ATOM 278 O SER A 22 4.859 -27.866 6.743 1.00 0.00 O ATOM 279 CB SER A 22 7.769 -28.982 5.175 1.00 0.00 C ATOM 280 OG SER A 22 8.837 -29.911 5.229 1.00 0.00 O ATOM 0 H SER A 22 4.912 -29.654 5.135 1.00 0.00 H new ATOM 0 HA SER A 22 7.139 -29.880 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.337 -28.978 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.147 -27.977 5.363 1.00 0.00 H new ATOM 0 HG SER A 22 8.501 -30.778 5.540 1.00 0.00 H new ATOM 286 N VAL A 23 6.931 -27.155 7.258 1.00 0.00 N ATOM 287 CA VAL A 23 6.477 -25.891 7.824 1.00 0.00 C ATOM 288 C VAL A 23 6.950 -24.709 6.978 1.00 0.00 C ATOM 289 O VAL A 23 8.116 -24.319 7.042 1.00 0.00 O ATOM 290 CB VAL A 23 6.982 -25.706 9.269 1.00 0.00 C ATOM 291 CG1 VAL A 23 6.136 -26.518 10.237 1.00 0.00 C ATOM 292 CG2 VAL A 23 8.450 -26.091 9.380 1.00 0.00 C ATOM 0 H VAL A 23 7.942 -27.288 7.280 1.00 0.00 H new ATOM 0 HA VAL A 23 5.387 -25.921 7.829 1.00 0.00 H new ATOM 0 HB VAL A 23 6.888 -24.653 9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.507 -26.375 11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.099 -26.187 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.195 -27.574 9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.786 -25.953 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.575 -27.136 9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.043 -25.461 8.717 1.00 0.00 H new ATOM 302 N PRO A 24 6.050 -24.117 6.170 1.00 0.00 N ATOM 303 CA PRO A 24 6.391 -22.975 5.315 1.00 0.00 C ATOM 304 C PRO A 24 6.690 -21.716 6.121 1.00 0.00 C ATOM 305 O PRO A 24 6.470 -21.676 7.331 1.00 0.00 O ATOM 306 CB PRO A 24 5.136 -22.778 4.461 1.00 0.00 C ATOM 307 CG PRO A 24 4.030 -23.364 5.269 1.00 0.00 C ATOM 308 CD PRO A 24 4.636 -24.511 6.026 1.00 0.00 C ATOM 0 HA PRO A 24 7.293 -23.160 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.959 -21.722 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.230 -23.279 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.610 -22.624 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.217 -23.705 4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.157 -24.650 6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.534 -25.450 5.482 1.00 0.00 H new ATOM 316 N THR A 25 7.193 -20.690 5.443 1.00 0.00 N ATOM 317 CA THR A 25 7.522 -19.430 6.097 1.00 0.00 C ATOM 318 C THR A 25 7.212 -18.246 5.186 1.00 0.00 C ATOM 319 O THR A 25 7.747 -18.142 4.083 1.00 0.00 O ATOM 320 CB THR A 25 8.999 -19.409 6.495 1.00 0.00 C ATOM 321 OG1 THR A 25 9.342 -20.583 7.210 1.00 0.00 O ATOM 322 CG2 THR A 25 9.371 -18.222 7.356 1.00 0.00 C ATOM 0 H THR A 25 7.382 -20.707 4.441 1.00 0.00 H new ATOM 0 HA THR A 25 6.909 -19.344 6.994 1.00 0.00 H new ATOM 0 HB THR A 25 9.550 -19.342 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.291 -20.552 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.432 -18.269 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.165 -17.300 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.785 -18.241 8.275 1.00 0.00 H new ATOM 330 N ALA A 26 6.345 -17.355 5.657 1.00 0.00 N ATOM 331 CA ALA A 26 5.963 -16.178 4.887 1.00 0.00 C ATOM 332 C ALA A 26 6.004 -14.922 5.750 1.00 0.00 C ATOM 333 O ALA A 26 4.973 -14.459 6.237 1.00 0.00 O ATOM 334 CB ALA A 26 4.577 -16.366 4.289 1.00 0.00 C ATOM 0 H ALA A 26 5.894 -17.427 6.569 1.00 0.00 H new ATOM 0 HA ALA A 26 6.682 -16.054 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.304 -15.479 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.579 -17.236 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.853 -16.518 5.089 1.00 0.00 H new ATOM 340 N ASP A 27 7.202 -14.376 5.936 1.00 0.00 N ATOM 341 CA ASP A 27 7.376 -13.174 6.742 1.00 0.00 C ATOM 342 C ASP A 27 7.713 -11.973 5.863 1.00 0.00 C ATOM 343 O ASP A 27 6.994 -10.974 5.859 1.00 0.00 O ATOM 344 CB ASP A 27 8.480 -13.388 7.780 1.00 0.00 C ATOM 345 CG ASP A 27 8.122 -12.802 9.132 1.00 0.00 C ATOM 346 OD1 ASP A 27 6.931 -12.853 9.505 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.033 -12.292 9.818 1.00 0.00 O ATOM 0 H ASP A 27 8.065 -14.747 5.540 1.00 0.00 H new ATOM 0 HA ASP A 27 6.437 -12.971 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.671 -14.456 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.404 -12.933 7.423 1.00 0.00 H new ATOM 352 N GLU A 28 8.812 -12.078 5.121 1.00 0.00 N ATOM 353 CA GLU A 28 9.250 -11.001 4.237 1.00 0.00 C ATOM 354 C GLU A 28 9.731 -9.797 5.040 1.00 0.00 C ATOM 355 O GLU A 28 10.915 -9.464 5.029 1.00 0.00 O ATOM 356 CB GLU A 28 8.116 -10.583 3.296 1.00 0.00 C ATOM 357 CG GLU A 28 7.418 -11.756 2.629 1.00 0.00 C ATOM 358 CD GLU A 28 7.221 -11.549 1.140 1.00 0.00 C ATOM 359 OE1 GLU A 28 8.232 -11.377 0.426 1.00 0.00 O ATOM 360 OE2 GLU A 28 6.056 -11.558 0.687 1.00 0.00 O ATOM 0 H GLU A 28 9.417 -12.899 5.114 1.00 0.00 H new ATOM 0 HA GLU A 28 10.083 -11.375 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.382 -10.006 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.518 -9.924 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.002 -12.662 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.448 -11.913 3.101 1.00 0.00 H new ATOM 367 N LEU A 29 8.803 -9.149 5.739 1.00 0.00 N ATOM 368 CA LEU A 29 9.135 -7.982 6.550 1.00 0.00 C ATOM 369 C LEU A 29 9.533 -8.398 7.962 1.00 0.00 C ATOM 370 O LEU A 29 8.775 -8.209 8.914 1.00 0.00 O ATOM 371 CB LEU A 29 7.946 -7.020 6.603 1.00 0.00 C ATOM 372 CG LEU A 29 7.710 -6.212 5.327 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.443 -5.378 5.451 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.908 -5.322 5.031 1.00 0.00 C ATOM 0 H LEU A 29 7.818 -9.412 5.760 1.00 0.00 H new ATOM 0 HA LEU A 29 9.983 -7.476 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.045 -7.592 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.095 -6.327 7.431 1.00 0.00 H new ATOM 0 HG LEU A 29 7.584 -6.907 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.291 -4.809 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.589 -6.035 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.540 -4.691 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.723 -4.754 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.064 -4.634 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.796 -5.940 4.900 1.00 0.00 H new ATOM 386 N PHE A 30 10.727 -8.968 8.091 1.00 0.00 N ATOM 387 CA PHE A 30 11.228 -9.411 9.387 1.00 0.00 C ATOM 388 C PHE A 30 12.150 -8.364 10.002 1.00 0.00 C ATOM 389 O PHE A 30 12.033 -8.035 11.183 1.00 0.00 O ATOM 390 CB PHE A 30 11.970 -10.741 9.243 1.00 0.00 C ATOM 391 CG PHE A 30 12.987 -10.743 8.135 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.291 -10.343 8.375 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.636 -11.147 6.858 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.229 -10.344 7.359 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.569 -11.150 5.838 1.00 0.00 C ATOM 396 CZ PHE A 30 14.866 -10.748 6.088 1.00 0.00 C ATOM 0 H PHE A 30 11.366 -9.134 7.313 1.00 0.00 H new ATOM 0 HA PHE A 30 10.374 -9.550 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.469 -10.974 10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.245 -11.535 9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.579 -10.027 9.367 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.623 -11.463 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.243 -10.030 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.283 -11.467 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.596 -10.749 5.292 1.00 0.00 H new ATOM 406 N ASP A 31 13.068 -7.843 9.195 1.00 0.00 N ATOM 407 CA ASP A 31 14.012 -6.834 9.660 1.00 0.00 C ATOM 408 C ASP A 31 13.306 -5.506 9.918 1.00 0.00 C ATOM 409 O ASP A 31 13.703 -4.741 10.797 1.00 0.00 O ATOM 410 CB ASP A 31 15.129 -6.640 8.634 1.00 0.00 C ATOM 411 CG ASP A 31 16.489 -6.474 9.284 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.820 -7.278 10.182 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.225 -5.543 8.895 1.00 0.00 O ATOM 0 H ASP A 31 13.178 -8.103 8.215 1.00 0.00 H new ATOM 0 HA ASP A 31 14.446 -7.182 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.153 -7.497 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.911 -5.763 8.025 1.00 0.00 H new ATOM 418 N PHE A 32 12.256 -5.240 9.149 1.00 0.00 N ATOM 419 CA PHE A 32 11.495 -4.005 9.295 1.00 0.00 C ATOM 420 C PHE A 32 10.820 -3.939 10.661 1.00 0.00 C ATOM 421 O PHE A 32 10.055 -4.829 11.030 1.00 0.00 O ATOM 422 CB PHE A 32 10.443 -3.896 8.189 1.00 0.00 C ATOM 423 CG PHE A 32 10.981 -3.335 6.904 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.802 -4.099 6.089 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.665 -2.045 6.509 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.298 -3.586 4.905 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.159 -1.526 5.326 1.00 0.00 C ATOM 428 CZ PHE A 32 11.976 -2.298 4.524 1.00 0.00 C ATOM 0 H PHE A 32 11.912 -5.863 8.418 1.00 0.00 H new ATOM 0 HA PHE A 32 12.189 -3.169 9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.025 -4.884 7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.625 -3.265 8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.057 -5.107 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.025 -1.438 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.936 -4.192 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.906 -0.519 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.363 -1.895 3.600 1.00 0.00 H new ATOM 438 N HIS A 33 11.109 -2.878 11.408 1.00 0.00 N ATOM 439 CA HIS A 33 10.531 -2.695 12.733 1.00 0.00 C ATOM 440 C HIS A 33 9.434 -1.634 12.705 1.00 0.00 C ATOM 441 O HIS A 33 9.394 -0.791 11.809 1.00 0.00 O ATOM 442 CB HIS A 33 11.617 -2.301 13.737 1.00 0.00 C ATOM 443 CG HIS A 33 11.982 -3.401 14.685 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.433 -3.547 15.939 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.863 -4.424 14.540 1.00 0.00 C ATOM 446 CE1 HIS A 33 11.986 -4.628 16.506 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.859 -5.197 15.698 1.00 0.00 N ATOM 0 H HIS A 33 11.741 -2.132 11.117 1.00 0.00 H new ATOM 0 HA HIS A 33 10.088 -3.641 13.044 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.509 -1.991 13.192 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.276 -1.438 14.309 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.470 -4.609 13.666 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.748 -4.987 17.496 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.416 -6.031 15.883 1.00 0.00 H new ATOM 455 N ILE A 34 8.546 -1.683 13.693 1.00 0.00 N ATOM 456 CA ILE A 34 7.450 -0.726 13.783 1.00 0.00 C ATOM 457 C ILE A 34 7.943 0.629 14.278 1.00 0.00 C ATOM 458 O ILE A 34 8.744 0.708 15.210 1.00 0.00 O ATOM 459 CB ILE A 34 6.341 -1.230 14.725 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.964 -2.672 14.382 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.121 -0.323 14.641 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.460 -2.845 12.967 1.00 0.00 C ATOM 0 H ILE A 34 8.564 -2.375 14.442 1.00 0.00 H new ATOM 0 HA ILE A 34 7.042 -0.617 12.778 1.00 0.00 H new ATOM 0 HB ILE A 34 6.717 -1.207 15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.834 -3.311 14.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.196 -3.013 15.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.346 -0.693 15.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.400 0.690 14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.742 -0.316 13.619 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.212 -3.892 12.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.570 -2.232 12.820 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.234 -2.535 12.265 1.00 0.00 H new ATOM 474 N GLY A 35 7.461 1.695 13.647 1.00 0.00 N ATOM 475 CA GLY A 35 7.865 3.033 14.038 1.00 0.00 C ATOM 476 C GLY A 35 9.143 3.477 13.355 1.00 0.00 C ATOM 477 O GLY A 35 9.972 4.160 13.957 1.00 0.00 O ATOM 0 H GLY A 35 6.798 1.656 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.066 3.735 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.004 3.066 15.119 1.00 0.00 H new ATOM 481 N ASP A 36 9.303 3.089 12.094 1.00 0.00 N ATOM 482 CA ASP A 36 10.490 3.451 11.328 1.00 0.00 C ATOM 483 C ASP A 36 10.106 3.991 9.954 1.00 0.00 C ATOM 484 O ASP A 36 9.001 3.752 9.468 1.00 0.00 O ATOM 485 CB ASP A 36 11.411 2.240 11.173 1.00 0.00 C ATOM 486 CG ASP A 36 12.853 2.639 10.925 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.145 3.160 9.828 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.691 2.431 11.828 1.00 0.00 O ATOM 0 H ASP A 36 8.626 2.524 11.581 1.00 0.00 H new ATOM 0 HA ASP A 36 11.019 4.234 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.356 1.627 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.060 1.623 10.346 1.00 0.00 H new ATOM 493 N ARG A 37 11.026 4.724 9.334 1.00 0.00 N ATOM 494 CA ARG A 37 10.783 5.298 8.017 1.00 0.00 C ATOM 495 C ARG A 37 10.811 4.220 6.938 1.00 0.00 C ATOM 496 O ARG A 37 11.636 3.308 6.979 1.00 0.00 O ATOM 497 CB ARG A 37 11.827 6.373 7.705 1.00 0.00 C ATOM 498 CG ARG A 37 11.600 7.677 8.453 1.00 0.00 C ATOM 499 CD ARG A 37 12.914 8.359 8.798 1.00 0.00 C ATOM 500 NE ARG A 37 12.906 8.911 10.151 1.00 0.00 N ATOM 501 CZ ARG A 37 12.992 8.171 11.254 1.00 0.00 C ATOM 502 NH1 ARG A 37 13.093 6.850 11.169 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.978 8.753 12.446 1.00 0.00 N ATOM 0 H ARG A 37 11.945 4.934 9.723 1.00 0.00 H new ATOM 0 HA ARG A 37 9.793 5.753 8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.817 5.989 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.822 6.573 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.991 8.345 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.040 7.480 9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.730 7.642 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.107 9.158 8.082 1.00 0.00 H new ATOM 0 HE ARG A 37 12.830 9.923 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.105 6.397 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.159 6.288 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.901 9.768 12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.044 8.186 13.291 1.00 0.00 H new ATOM 517 N VAL A 38 9.902 4.330 5.975 1.00 0.00 N ATOM 518 CA VAL A 38 9.822 3.364 4.886 1.00 0.00 C ATOM 519 C VAL A 38 9.231 3.999 3.631 1.00 0.00 C ATOM 520 O VAL A 38 8.390 4.894 3.713 1.00 0.00 O ATOM 521 CB VAL A 38 8.969 2.144 5.280 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.708 1.278 6.287 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.624 2.590 5.834 1.00 0.00 C ATOM 0 H VAL A 38 9.211 5.078 5.927 1.00 0.00 H new ATOM 0 HA VAL A 38 10.840 3.035 4.679 1.00 0.00 H new ATOM 0 HB VAL A 38 8.788 1.546 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.089 0.421 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.643 0.928 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.922 1.863 7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.035 1.715 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.782 3.211 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.091 3.164 5.076 1.00 0.00 H new ATOM 533 N LEU A 39 9.677 3.527 2.472 1.00 0.00 N ATOM 534 CA LEU A 39 9.193 4.047 1.198 1.00 0.00 C ATOM 535 C LEU A 39 8.328 3.014 0.483 1.00 0.00 C ATOM 536 O LEU A 39 8.747 1.876 0.276 1.00 0.00 O ATOM 537 CB LEU A 39 10.372 4.445 0.307 1.00 0.00 C ATOM 538 CG LEU A 39 10.076 5.556 -0.702 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.512 6.780 0.002 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.333 5.917 -1.479 1.00 0.00 C ATOM 0 H LEU A 39 10.373 2.786 2.388 1.00 0.00 H new ATOM 0 HA LEU A 39 8.584 4.928 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.197 4.764 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.711 3.563 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 39 9.328 5.192 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.308 7.560 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.588 6.512 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.236 7.147 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.105 6.709 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.102 6.262 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.694 5.039 -2.015 1.00 0.00 H new ATOM 552 N ILE A 40 7.118 3.419 0.112 1.00 0.00 N ATOM 553 CA ILE A 40 6.193 2.528 -0.579 1.00 0.00 C ATOM 554 C ILE A 40 6.422 2.557 -2.086 1.00 0.00 C ATOM 555 O ILE A 40 6.185 3.572 -2.741 1.00 0.00 O ATOM 556 CB ILE A 40 4.728 2.903 -0.287 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.512 3.076 1.218 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.788 1.844 -0.844 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.188 3.719 1.568 1.00 0.00 C ATOM 0 H ILE A 40 6.755 4.358 0.278 1.00 0.00 H new ATOM 0 HA ILE A 40 6.385 1.522 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 40 4.507 3.851 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.572 2.100 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.321 3.683 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.757 2.124 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.926 1.766 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.007 0.882 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.103 3.810 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.133 4.709 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.373 3.102 1.191 1.00 0.00 H new ATOM 571 N GLY A 41 6.885 1.436 -2.631 1.00 0.00 N ATOM 572 CA GLY A 41 7.139 1.353 -4.057 1.00 0.00 C ATOM 573 C GLY A 41 8.142 2.386 -4.533 1.00 0.00 C ATOM 574 O GLY A 41 8.175 2.727 -5.715 1.00 0.00 O ATOM 0 H GLY A 41 7.089 0.583 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.507 0.356 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.202 1.486 -4.597 1.00 0.00 H new ATOM 578 N ASN A 42 8.964 2.882 -3.614 1.00 0.00 N ATOM 579 CA ASN A 42 9.974 3.881 -3.949 1.00 0.00 C ATOM 580 C ASN A 42 9.333 5.115 -4.580 1.00 0.00 C ATOM 581 O ASN A 42 9.709 5.531 -5.678 1.00 0.00 O ATOM 582 CB ASN A 42 11.013 3.284 -4.900 1.00 0.00 C ATOM 583 CG ASN A 42 12.169 2.639 -4.162 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.193 1.425 -3.961 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.137 3.450 -3.752 1.00 0.00 N ATOM 0 H ASN A 42 8.951 2.609 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 42 10.469 4.186 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.533 2.542 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.395 4.067 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.940 3.072 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.078 4.451 -3.940 1.00 0.00 H new ATOM 592 N VAL A 43 8.364 5.695 -3.880 1.00 0.00 N ATOM 593 CA VAL A 43 7.672 6.881 -4.372 1.00 0.00 C ATOM 594 C VAL A 43 6.805 7.502 -3.280 1.00 0.00 C ATOM 595 O VAL A 43 6.787 8.720 -3.107 1.00 0.00 O ATOM 596 CB VAL A 43 6.789 6.550 -5.592 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.715 5.538 -5.221 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.166 7.816 -6.162 1.00 0.00 C ATOM 0 H VAL A 43 8.040 5.364 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 43 8.438 7.595 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 43 7.421 6.106 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.104 5.319 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.186 4.620 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.085 5.949 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.547 7.561 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.550 8.293 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.954 8.501 -6.473 1.00 0.00 H new ATOM 608 N GLN A 44 6.088 6.656 -2.549 1.00 0.00 N ATOM 609 CA GLN A 44 5.218 7.122 -1.474 1.00 0.00 C ATOM 610 C GLN A 44 5.884 6.934 -0.112 1.00 0.00 C ATOM 611 O GLN A 44 5.883 5.833 0.439 1.00 0.00 O ATOM 612 CB GLN A 44 3.886 6.371 -1.510 1.00 0.00 C ATOM 613 CG GLN A 44 2.813 7.074 -2.324 1.00 0.00 C ATOM 614 CD GLN A 44 1.411 6.746 -1.847 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.209 5.809 -1.076 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.433 7.520 -2.306 1.00 0.00 N ATOM 0 H GLN A 44 6.091 5.645 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 44 5.034 8.186 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.051 5.376 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.527 6.237 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.969 8.151 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.912 6.790 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.646 8.287 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.531 7.347 -2.020 1.00 0.00 H new ATOM 625 N PRO A 45 6.465 8.009 0.453 1.00 0.00 N ATOM 626 CA PRO A 45 7.132 7.949 1.756 1.00 0.00 C ATOM 627 C PRO A 45 6.142 7.835 2.909 1.00 0.00 C ATOM 628 O PRO A 45 4.994 8.266 2.798 1.00 0.00 O ATOM 629 CB PRO A 45 7.886 9.278 1.825 1.00 0.00 C ATOM 630 CG PRO A 45 7.091 10.205 0.974 1.00 0.00 C ATOM 631 CD PRO A 45 6.517 9.362 -0.134 1.00 0.00 C ATOM 0 HA PRO A 45 7.774 7.073 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.955 9.642 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.906 9.175 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.299 10.682 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.718 11.002 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.527 9.709 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.144 9.389 -1.025 1.00 0.00 H new ATOM 639 N GLY A 46 6.592 7.254 4.015 1.00 0.00 N ATOM 640 CA GLY A 46 5.731 7.095 5.172 1.00 0.00 C ATOM 641 C GLY A 46 6.431 6.405 6.327 1.00 0.00 C ATOM 642 O GLY A 46 7.648 6.222 6.303 1.00 0.00 O ATOM 0 H GLY A 46 7.538 6.890 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.380 8.074 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.850 6.519 4.889 1.00 0.00 H new ATOM 646 N ILE A 47 5.660 6.023 7.340 1.00 0.00 N ATOM 647 CA ILE A 47 6.212 5.350 8.510 1.00 0.00 C ATOM 648 C ILE A 47 5.551 3.993 8.724 1.00 0.00 C ATOM 649 O ILE A 47 4.324 3.884 8.745 1.00 0.00 O ATOM 650 CB ILE A 47 6.036 6.201 9.784 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.486 7.643 9.530 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.814 5.590 10.940 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.408 8.669 9.807 1.00 0.00 C ATOM 0 H ILE A 47 4.651 6.168 7.374 1.00 0.00 H new ATOM 0 HA ILE A 47 7.276 5.208 8.321 1.00 0.00 H new ATOM 0 HB ILE A 47 4.979 6.215 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.353 7.860 10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.809 7.737 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.680 6.202 11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.447 4.582 11.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.873 5.548 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.796 9.668 9.606 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.549 8.477 9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.102 8.602 10.851 1.00 0.00 H new ATOM 665 N LEU A 48 6.371 2.959 8.883 1.00 0.00 N ATOM 666 CA LEU A 48 5.865 1.608 9.096 1.00 0.00 C ATOM 667 C LEU A 48 5.109 1.511 10.417 1.00 0.00 C ATOM 668 O LEU A 48 5.711 1.524 11.490 1.00 0.00 O ATOM 669 CB LEU A 48 7.016 0.601 9.079 1.00 0.00 C ATOM 670 CG LEU A 48 6.600 -0.863 9.236 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.730 -1.299 8.067 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.826 -1.755 9.352 1.00 0.00 C ATOM 0 H LEU A 48 7.388 3.031 8.868 1.00 0.00 H new ATOM 0 HA LEU A 48 5.175 1.374 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.559 0.709 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.711 0.853 9.880 1.00 0.00 H new ATOM 0 HG LEU A 48 6.017 -0.959 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.444 -2.343 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.834 -0.679 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.288 -1.188 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.512 -2.793 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.435 -1.655 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.411 -1.458 10.222 1.00 0.00 H new ATOM 684 N ARG A 49 3.786 1.415 10.329 1.00 0.00 N ATOM 685 CA ARG A 49 2.947 1.316 11.517 1.00 0.00 C ATOM 686 C ARG A 49 2.552 -0.132 11.786 1.00 0.00 C ATOM 687 O ARG A 49 2.492 -0.567 12.935 1.00 0.00 O ATOM 688 CB ARG A 49 1.692 2.177 11.352 1.00 0.00 C ATOM 689 CG ARG A 49 1.991 3.644 11.099 1.00 0.00 C ATOM 690 CD ARG A 49 2.453 4.347 12.364 1.00 0.00 C ATOM 691 NE ARG A 49 1.330 4.763 13.201 1.00 0.00 N ATOM 692 CZ ARG A 49 1.418 5.688 14.155 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.574 6.294 14.396 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.347 6.008 14.868 1.00 0.00 N ATOM 0 H ARG A 49 3.273 1.404 9.448 1.00 0.00 H new ATOM 0 HA ARG A 49 3.521 1.680 12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.100 1.787 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.080 2.089 12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.760 3.732 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.098 4.137 10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.102 3.681 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.049 5.220 12.097 1.00 0.00 H new ATOM 0 HE ARG A 49 0.425 4.319 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.400 6.052 13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.636 7.002 15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.544 5.546 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.414 6.716 15.599 1.00 0.00 H new ATOM 708 N PHE A 50 2.280 -0.873 10.717 1.00 0.00 N ATOM 709 CA PHE A 50 1.890 -2.273 10.835 1.00 0.00 C ATOM 710 C PHE A 50 2.576 -3.120 9.769 1.00 0.00 C ATOM 711 O PHE A 50 3.081 -2.595 8.776 1.00 0.00 O ATOM 712 CB PHE A 50 0.371 -2.411 10.716 1.00 0.00 C ATOM 713 CG PHE A 50 -0.119 -3.824 10.862 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.018 -4.485 12.076 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.682 -4.490 9.785 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.468 -5.784 12.213 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.134 -5.790 9.916 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.026 -6.437 11.132 1.00 0.00 C ATOM 0 H PHE A 50 2.323 -0.527 9.758 1.00 0.00 H new ATOM 0 HA PHE A 50 2.205 -2.632 11.815 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.102 -1.791 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.054 -2.024 9.747 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.418 -3.979 12.925 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.769 -3.988 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.383 -6.288 13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.571 -6.299 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.378 -7.453 11.237 1.00 0.00 H new ATOM 728 N LYS A 51 2.592 -4.432 9.980 1.00 0.00 N ATOM 729 CA LYS A 51 3.217 -5.352 9.036 1.00 0.00 C ATOM 730 C LYS A 51 2.902 -6.799 9.397 1.00 0.00 C ATOM 731 O LYS A 51 3.496 -7.363 10.317 1.00 0.00 O ATOM 732 CB LYS A 51 4.731 -5.138 9.011 1.00 0.00 C ATOM 733 CG LYS A 51 5.354 -5.044 10.395 1.00 0.00 C ATOM 734 CD LYS A 51 6.458 -6.072 10.584 1.00 0.00 C ATOM 735 CE LYS A 51 6.921 -6.133 12.031 1.00 0.00 C ATOM 736 NZ LYS A 51 5.780 -6.304 12.972 1.00 0.00 N ATOM 0 H LYS A 51 2.179 -4.882 10.797 1.00 0.00 H new ATOM 0 HA LYS A 51 2.812 -5.148 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.197 -5.959 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.952 -4.224 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.759 -4.043 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.584 -5.193 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.100 -7.054 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.302 -5.823 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.620 -6.960 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.462 -5.219 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.749 -5.499 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.890 -6.347 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.903 -7.186 13.510 1.00 0.00 H new ATOM 750 N GLY A 52 1.965 -7.396 8.668 1.00 0.00 N ATOM 751 CA GLY A 52 1.588 -8.772 8.928 1.00 0.00 C ATOM 752 C GLY A 52 0.293 -9.159 8.243 1.00 0.00 C ATOM 753 O GLY A 52 -0.274 -8.373 7.483 1.00 0.00 O ATOM 0 H GLY A 52 1.460 -6.951 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.386 -9.434 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.485 -8.920 10.003 1.00 0.00 H new ATOM 757 N GLU A 53 -0.179 -10.372 8.511 1.00 0.00 N ATOM 758 CA GLU A 53 -1.416 -10.861 7.915 1.00 0.00 C ATOM 759 C GLU A 53 -2.618 -10.088 8.450 1.00 0.00 C ATOM 760 O GLU A 53 -2.543 -9.456 9.503 1.00 0.00 O ATOM 761 CB GLU A 53 -1.588 -12.355 8.197 1.00 0.00 C ATOM 762 CG GLU A 53 -0.675 -13.239 7.364 1.00 0.00 C ATOM 763 CD GLU A 53 -0.757 -14.700 7.761 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.231 -15.053 8.838 1.00 0.00 O ATOM 765 OE2 GLU A 53 -1.348 -15.491 6.996 1.00 0.00 O ATOM 0 H GLU A 53 0.277 -11.035 9.138 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.357 -10.708 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.396 -12.542 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.624 -12.635 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.938 -13.137 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.354 -12.895 7.470 1.00 0.00 H new ATOM 772 N THR A 54 -3.725 -10.144 7.716 1.00 0.00 N ATOM 773 CA THR A 54 -4.944 -9.448 8.116 1.00 0.00 C ATOM 774 C THR A 54 -6.110 -10.423 8.241 1.00 0.00 C ATOM 775 O THR A 54 -5.940 -11.633 8.095 1.00 0.00 O ATOM 776 CB THR A 54 -5.284 -8.354 7.104 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.486 -8.908 5.816 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.212 -7.293 6.985 1.00 0.00 C ATOM 0 H THR A 54 -3.803 -10.664 6.842 1.00 0.00 H new ATOM 0 HA THR A 54 -4.771 -8.991 9.090 1.00 0.00 H new ATOM 0 HB THR A 54 -6.194 -7.886 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.001 -8.280 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.517 -6.548 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.068 -6.811 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.277 -7.754 6.667 1.00 0.00 H new ATOM 786 N SER A 55 -7.296 -9.887 8.515 1.00 0.00 N ATOM 787 CA SER A 55 -8.492 -10.710 8.661 1.00 0.00 C ATOM 788 C SER A 55 -9.409 -10.558 7.452 1.00 0.00 C ATOM 789 O SER A 55 -10.628 -10.681 7.567 1.00 0.00 O ATOM 790 CB SER A 55 -9.244 -10.329 9.937 1.00 0.00 C ATOM 791 OG SER A 55 -8.842 -11.141 11.027 1.00 0.00 O ATOM 0 H SER A 55 -7.454 -8.887 8.640 1.00 0.00 H new ATOM 0 HA SER A 55 -8.180 -11.752 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.059 -9.281 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.317 -10.435 9.776 1.00 0.00 H new ATOM 0 HG SER A 55 -9.336 -10.877 11.831 1.00 0.00 H new ATOM 797 N PHE A 56 -8.816 -10.293 6.292 1.00 0.00 N ATOM 798 CA PHE A 56 -9.583 -10.127 5.063 1.00 0.00 C ATOM 799 C PHE A 56 -8.844 -10.731 3.873 1.00 0.00 C ATOM 800 O PHE A 56 -9.435 -11.441 3.059 1.00 0.00 O ATOM 801 CB PHE A 56 -9.864 -8.644 4.806 1.00 0.00 C ATOM 802 CG PHE A 56 -8.624 -7.817 4.612 1.00 0.00 C ATOM 803 CD1 PHE A 56 -8.046 -7.694 3.359 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.039 -7.163 5.685 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.907 -6.934 3.178 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.899 -6.400 5.509 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.332 -6.285 4.254 1.00 0.00 C ATOM 0 H PHE A 56 -7.808 -10.189 6.178 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.530 -10.653 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.494 -8.551 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.431 -8.240 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.491 -8.198 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.478 -7.250 6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.466 -6.847 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.452 -5.894 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.442 -5.689 4.115 1.00 0.00 H new ATOM 817 N ALA A 57 -7.550 -10.446 3.775 1.00 0.00 N ATOM 818 CA ALA A 57 -6.733 -10.962 2.683 1.00 0.00 C ATOM 819 C ALA A 57 -5.414 -11.522 3.202 1.00 0.00 C ATOM 820 O ALA A 57 -4.660 -10.829 3.885 1.00 0.00 O ATOM 821 CB ALA A 57 -6.478 -9.870 1.655 1.00 0.00 C ATOM 0 H ALA A 57 -7.044 -9.860 4.439 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.279 -11.775 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.867 -10.268 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.429 -9.519 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.955 -9.039 2.129 1.00 0.00 H new ATOM 827 N LYS A 58 -5.142 -12.781 2.873 1.00 0.00 N ATOM 828 CA LYS A 58 -3.912 -13.435 3.305 1.00 0.00 C ATOM 829 C LYS A 58 -2.686 -12.689 2.789 1.00 0.00 C ATOM 830 O LYS A 58 -2.770 -11.930 1.822 1.00 0.00 O ATOM 831 CB LYS A 58 -3.883 -14.885 2.816 1.00 0.00 C ATOM 832 CG LYS A 58 -3.015 -15.798 3.668 1.00 0.00 C ATOM 833 CD LYS A 58 -1.761 -16.232 2.926 1.00 0.00 C ATOM 834 CE LYS A 58 -0.676 -16.694 3.885 1.00 0.00 C ATOM 835 NZ LYS A 58 0.505 -17.244 3.165 1.00 0.00 N ATOM 0 H LYS A 58 -5.756 -13.368 2.309 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.889 -13.424 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.901 -15.275 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.519 -14.906 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.735 -15.282 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.589 -16.678 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.006 -17.040 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.388 -15.403 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.363 -15.857 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.081 -17.455 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.222 -17.548 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.212 -18.059 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.908 -16.510 2.548 1.00 0.00 H new ATOM 849 N GLY A 59 -1.548 -12.908 3.439 1.00 0.00 N ATOM 850 CA GLY A 59 -0.321 -12.251 3.032 1.00 0.00 C ATOM 851 C GLY A 59 0.041 -11.086 3.932 1.00 0.00 C ATOM 852 O GLY A 59 -0.799 -10.586 4.680 1.00 0.00 O ATOM 0 H GLY A 59 -1.454 -13.530 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.493 -12.975 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.426 -11.895 2.007 1.00 0.00 H new ATOM 856 N PHE A 60 1.295 -10.652 3.859 1.00 0.00 N ATOM 857 CA PHE A 60 1.768 -9.538 4.672 1.00 0.00 C ATOM 858 C PHE A 60 1.193 -8.216 4.171 1.00 0.00 C ATOM 859 O PHE A 60 1.154 -7.962 2.967 1.00 0.00 O ATOM 860 CB PHE A 60 3.298 -9.484 4.658 1.00 0.00 C ATOM 861 CG PHE A 60 3.927 -9.939 5.944 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.768 -11.244 6.384 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.679 -9.064 6.712 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.345 -11.667 7.567 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.258 -9.481 7.895 1.00 0.00 C ATOM 866 CZ PHE A 60 5.092 -10.783 8.322 1.00 0.00 C ATOM 0 H PHE A 60 2.002 -11.055 3.245 1.00 0.00 H new ATOM 0 HA PHE A 60 1.427 -9.695 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.668 -10.105 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.615 -8.462 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.187 -11.938 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.814 -8.045 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.212 -12.686 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.840 -8.789 8.485 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.546 -11.111 9.246 1.00 0.00 H new ATOM 876 N TRP A 61 0.749 -7.379 5.103 1.00 0.00 N ATOM 877 CA TRP A 61 0.177 -6.083 4.757 1.00 0.00 C ATOM 878 C TRP A 61 0.780 -4.978 5.616 1.00 0.00 C ATOM 879 O TRP A 61 0.334 -4.736 6.737 1.00 0.00 O ATOM 880 CB TRP A 61 -1.342 -6.109 4.931 1.00 0.00 C ATOM 881 CG TRP A 61 -2.052 -6.875 3.856 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.694 -8.072 3.990 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.190 -6.496 2.481 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.225 -8.460 2.784 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.929 -7.510 1.842 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.763 -5.398 1.729 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.249 -7.457 0.488 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.081 -5.347 0.384 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.817 -6.371 -0.224 1.00 0.00 C ATOM 0 H TRP A 61 0.774 -7.575 6.104 1.00 0.00 H new ATOM 0 HA TRP A 61 0.412 -5.877 3.713 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.582 -6.549 5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.716 -5.085 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.773 -8.632 4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.754 -9.316 2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.195 -4.604 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.818 -8.245 0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.756 -4.503 -0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.049 -6.303 -1.277 1.00 0.00 H new ATOM 900 N ALA A 62 1.798 -4.309 5.083 1.00 0.00 N ATOM 901 CA ALA A 62 2.464 -3.230 5.802 1.00 0.00 C ATOM 902 C ALA A 62 1.621 -1.959 5.790 1.00 0.00 C ATOM 903 O ALA A 62 1.244 -1.463 4.729 1.00 0.00 O ATOM 904 CB ALA A 62 3.835 -2.964 5.200 1.00 0.00 C ATOM 0 H ALA A 62 2.179 -4.496 4.156 1.00 0.00 H new ATOM 0 HA ALA A 62 2.589 -3.540 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.322 -2.156 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.443 -3.866 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.724 -2.679 4.154 1.00 0.00 H new ATOM 910 N GLY A 63 1.331 -1.436 6.977 1.00 0.00 N ATOM 911 CA GLY A 63 0.536 -0.226 7.078 1.00 0.00 C ATOM 912 C GLY A 63 1.391 1.016 7.238 1.00 0.00 C ATOM 913 O GLY A 63 1.654 1.458 8.357 1.00 0.00 O ATOM 0 H GLY A 63 1.632 -1.828 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.083 -0.125 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.141 -0.309 7.928 1.00 0.00 H new ATOM 917 N VAL A 64 1.826 1.579 6.116 1.00 0.00 N ATOM 918 CA VAL A 64 2.658 2.776 6.134 1.00 0.00 C ATOM 919 C VAL A 64 1.813 4.030 6.335 1.00 0.00 C ATOM 920 O VAL A 64 0.724 4.153 5.776 1.00 0.00 O ATOM 921 CB VAL A 64 3.464 2.921 4.830 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.482 4.045 4.951 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.148 1.609 4.477 1.00 0.00 C ATOM 0 H VAL A 64 1.616 1.225 5.183 1.00 0.00 H new ATOM 0 HA VAL A 64 3.349 2.667 6.970 1.00 0.00 H new ATOM 0 HB VAL A 64 2.774 3.174 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.041 4.131 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.966 4.984 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.170 3.827 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.713 1.730 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.826 1.324 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.396 0.831 4.343 1.00 0.00 H new ATOM 933 N GLU A 65 2.324 4.959 7.136 1.00 0.00 N ATOM 934 CA GLU A 65 1.618 6.204 7.410 1.00 0.00 C ATOM 935 C GLU A 65 2.224 7.357 6.617 1.00 0.00 C ATOM 936 O GLU A 65 3.251 7.916 7.002 1.00 0.00 O ATOM 937 CB GLU A 65 1.659 6.520 8.907 1.00 0.00 C ATOM 938 CG GLU A 65 0.730 7.652 9.315 1.00 0.00 C ATOM 939 CD GLU A 65 1.479 8.914 9.695 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.315 9.374 8.887 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.232 9.443 10.798 1.00 0.00 O ATOM 0 H GLU A 65 3.225 4.873 7.607 1.00 0.00 H new ATOM 0 HA GLU A 65 0.580 6.080 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.393 5.623 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.680 6.780 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.049 7.872 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.119 7.329 10.158 1.00 0.00 H new ATOM 948 N LEU A 66 1.582 7.706 5.508 1.00 0.00 N ATOM 949 CA LEU A 66 2.058 8.792 4.659 1.00 0.00 C ATOM 950 C LEU A 66 2.006 10.125 5.398 1.00 0.00 C ATOM 951 O LEU A 66 1.001 10.458 6.027 1.00 0.00 O ATOM 952 CB LEU A 66 1.223 8.871 3.380 1.00 0.00 C ATOM 953 CG LEU A 66 1.066 7.551 2.626 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.063 7.700 1.492 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.410 7.079 2.092 1.00 0.00 C ATOM 0 H LEU A 66 0.731 7.253 5.176 1.00 0.00 H new ATOM 0 HA LEU A 66 3.095 8.585 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.232 9.246 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.679 9.601 2.712 1.00 0.00 H new ATOM 0 HG LEU A 66 0.689 6.800 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.036 6.750 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.905 7.992 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.410 8.465 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.279 6.138 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.815 7.829 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.100 6.932 2.923 1.00 0.00 H new ATOM 967 N ASP A 67 3.094 10.884 5.316 1.00 0.00 N ATOM 968 CA ASP A 67 3.172 12.182 5.977 1.00 0.00 C ATOM 969 C ASP A 67 2.078 13.117 5.470 1.00 0.00 C ATOM 970 O ASP A 67 1.596 13.979 6.203 1.00 0.00 O ATOM 971 CB ASP A 67 4.546 12.814 5.747 1.00 0.00 C ATOM 972 CG ASP A 67 4.911 13.812 6.827 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.586 13.556 8.006 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.523 14.849 6.496 1.00 0.00 O ATOM 0 H ASP A 67 3.933 10.623 4.799 1.00 0.00 H new ATOM 0 HA ASP A 67 3.026 12.027 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.302 12.030 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.556 13.312 4.777 1.00 0.00 H new ATOM 979 N LYS A 68 1.690 12.937 4.211 1.00 0.00 N ATOM 980 CA LYS A 68 0.652 13.762 3.605 1.00 0.00 C ATOM 981 C LYS A 68 -0.558 12.915 3.218 1.00 0.00 C ATOM 982 O LYS A 68 -0.472 11.689 3.155 1.00 0.00 O ATOM 983 CB LYS A 68 1.200 14.483 2.371 1.00 0.00 C ATOM 984 CG LYS A 68 1.750 15.869 2.671 1.00 0.00 C ATOM 985 CD LYS A 68 2.964 16.185 1.814 1.00 0.00 C ATOM 986 CE LYS A 68 3.556 17.541 2.163 1.00 0.00 C ATOM 987 NZ LYS A 68 4.849 17.780 1.466 1.00 0.00 N ATOM 0 H LYS A 68 2.079 12.227 3.591 1.00 0.00 H new ATOM 0 HA LYS A 68 0.336 14.503 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.989 13.876 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.407 14.569 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.975 16.615 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.021 15.934 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.719 15.411 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.681 16.171 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.849 18.326 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.708 17.604 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.219 18.715 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.533 17.046 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.700 17.746 0.437 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.706 13.561 2.952 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.936 12.860 2.570 1.00 0.00 C ATOM 1003 C PRO A 69 -2.844 12.248 1.176 1.00 0.00 C ATOM 1004 O PRO A 69 -3.413 12.770 0.218 1.00 0.00 O ATOM 1005 CB PRO A 69 -3.999 13.961 2.605 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.245 15.224 2.373 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.895 15.024 3.004 1.00 0.00 C ATOM 0 HA PRO A 69 -3.151 12.022 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.756 13.805 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.518 13.980 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.150 15.431 1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.762 16.074 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.113 15.550 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.871 15.396 4.028 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.122 11.136 1.071 1.00 0.00 N ATOM 1016 CA GLU A 70 -1.954 10.450 -0.205 1.00 0.00 C ATOM 1017 C GLU A 70 -2.463 9.010 -0.138 1.00 0.00 C ATOM 1018 O GLU A 70 -2.445 8.292 -1.138 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.481 10.460 -0.621 1.00 0.00 C ATOM 1020 CG GLU A 70 0.116 11.854 -0.711 1.00 0.00 C ATOM 1021 CD GLU A 70 0.931 12.060 -1.973 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.343 12.003 -3.074 1.00 0.00 O ATOM 1023 OE2 GLU A 70 2.154 12.282 -1.861 1.00 0.00 O ATOM 0 H GLU A 70 -1.644 10.691 1.855 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.545 10.985 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.094 9.873 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.382 9.968 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.686 12.591 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.749 12.031 0.159 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.916 8.590 1.042 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.418 7.238 1.202 1.00 0.00 C ATOM 1032 C GLY A 71 -4.914 7.143 0.979 1.00 0.00 C ATOM 1033 O GLY A 71 -5.498 7.966 0.275 1.00 0.00 O ATOM 0 H GLY A 71 -2.944 9.161 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.907 6.579 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.180 6.882 2.204 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.536 6.132 1.580 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.973 5.931 1.444 1.00 0.00 C ATOM 1039 C ASN A 72 -7.521 5.123 2.616 1.00 0.00 C ATOM 1040 O ASN A 72 -8.477 4.362 2.466 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.288 5.218 0.127 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.639 3.851 0.041 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.280 2.829 0.291 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.360 3.823 -0.315 1.00 0.00 N ATOM 0 H ASN A 72 -5.067 5.441 2.165 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.453 6.909 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.368 5.112 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.947 5.832 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.871 2.931 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.867 4.693 -0.513 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.909 5.295 3.784 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.335 4.584 4.983 1.00 0.00 C ATOM 1053 C ASN A 73 -6.964 5.367 6.238 1.00 0.00 C ATOM 1054 O ASN A 73 -6.299 6.400 6.163 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.699 3.193 5.029 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.228 2.279 3.943 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.437 2.079 3.817 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.324 1.717 3.149 1.00 0.00 N ATOM 0 H ASN A 73 -6.116 5.921 3.925 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.419 4.479 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.618 3.287 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.888 2.742 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.621 1.092 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.332 1.910 3.289 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.398 4.869 7.392 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.110 5.525 8.662 1.00 0.00 C ATOM 1067 C ASN A 74 -6.614 4.517 9.695 1.00 0.00 C ATOM 1068 O ASN A 74 -6.832 4.686 10.895 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.358 6.238 9.186 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.562 5.320 9.258 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.844 4.573 8.321 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.280 5.372 10.374 1.00 0.00 N ATOM 0 H ASN A 74 -7.949 4.015 7.473 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.324 6.261 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.153 6.642 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.588 7.084 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.102 4.777 10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.009 6.006 11.125 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.946 3.471 9.221 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.430 2.454 10.118 1.00 0.00 C ATOM 1081 C GLY A 75 -6.362 1.265 10.247 1.00 0.00 C ATOM 1082 O GLY A 75 -5.923 0.150 10.525 1.00 0.00 O ATOM 0 H GLY A 75 -5.753 3.309 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.460 2.113 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.267 2.892 11.103 1.00 0.00 H new ATOM 1086 N THR A 76 -7.655 1.504 10.048 1.00 0.00 N ATOM 1087 CA THR A 76 -8.651 0.443 10.146 1.00 0.00 C ATOM 1088 C THR A 76 -9.071 -0.038 8.761 1.00 0.00 C ATOM 1089 O THR A 76 -9.724 0.687 8.011 1.00 0.00 O ATOM 1090 CB THR A 76 -9.875 0.936 10.918 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.489 1.523 12.148 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.870 -0.161 11.225 1.00 0.00 C ATOM 0 H THR A 76 -8.037 2.422 9.818 1.00 0.00 H new ATOM 0 HA THR A 76 -8.203 -0.394 10.682 1.00 0.00 H new ATOM 0 HB THR A 76 -10.354 1.666 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.286 1.834 12.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.714 0.257 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.225 -0.601 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.389 -0.930 11.829 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.690 -1.268 8.427 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.027 -1.846 7.132 1.00 0.00 C ATOM 1102 C TYR A 77 -10.243 -2.759 7.245 1.00 0.00 C ATOM 1103 O TYR A 77 -10.167 -3.843 7.822 1.00 0.00 O ATOM 1104 CB TYR A 77 -7.836 -2.629 6.573 1.00 0.00 C ATOM 1105 CG TYR A 77 -7.949 -2.929 5.096 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -8.848 -3.881 4.628 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.157 -2.264 4.169 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -8.953 -4.159 3.278 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.257 -2.536 2.818 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.156 -3.484 2.379 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.259 -3.758 1.034 1.00 0.00 O ATOM 0 H TYR A 77 -8.148 -1.882 9.035 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.269 -1.031 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.923 -2.061 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.740 -3.567 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.474 -4.411 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.451 -1.521 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.656 -4.901 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.634 -2.009 2.110 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.629 -3.196 0.536 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.365 -2.313 6.688 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.598 -3.090 6.726 1.00 0.00 C ATOM 1123 C ASP A 78 -13.042 -3.335 8.164 1.00 0.00 C ATOM 1124 O ASP A 78 -13.650 -4.361 8.470 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.407 -4.425 6.004 1.00 0.00 C ATOM 1126 CG ASP A 78 -12.657 -4.317 4.512 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -12.485 -3.210 3.960 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.027 -5.339 3.897 1.00 0.00 O ATOM 0 H ASP A 78 -11.445 -1.418 6.205 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.374 -2.518 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.392 -4.785 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.084 -5.165 6.430 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.736 -2.386 9.043 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.111 -2.518 10.438 1.00 0.00 C ATOM 1135 C GLY A 79 -11.958 -2.976 11.309 1.00 0.00 C ATOM 1136 O GLY A 79 -11.883 -2.625 12.486 1.00 0.00 O ATOM 0 H GLY A 79 -12.235 -1.528 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.480 -1.560 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.932 -3.230 10.524 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.057 -3.762 10.729 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.902 -4.269 11.460 1.00 0.00 C ATOM 1142 C ILE A 80 -8.877 -3.167 11.701 1.00 0.00 C ATOM 1143 O ILE A 80 -8.228 -2.694 10.769 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.224 -5.430 10.706 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.267 -6.459 10.267 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.164 -6.082 11.580 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.072 -7.031 11.412 1.00 0.00 C ATOM 0 H ILE A 80 -11.105 -4.062 9.755 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.271 -4.635 12.418 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.737 -5.031 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.946 -5.993 9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.765 -7.273 9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.694 -6.900 11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.408 -5.343 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.628 -6.471 12.486 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.791 -7.753 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.403 -7.526 12.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.603 -6.227 11.921 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.735 -2.764 12.960 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.788 -1.717 13.324 1.00 0.00 C ATOM 1161 C ALA A 81 -6.369 -2.268 13.412 1.00 0.00 C ATOM 1162 O ALA A 81 -6.160 -3.413 13.815 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.190 -1.078 14.645 1.00 0.00 C ATOM 0 H ALA A 81 -9.263 -3.147 13.744 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.807 -0.956 12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.474 -0.298 14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.184 -0.641 14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.200 -1.836 15.428 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.396 -1.446 13.034 1.00 0.00 N ATOM 1170 CA TYR A 82 -3.996 -1.850 13.070 1.00 0.00 C ATOM 1171 C TYR A 82 -3.132 -0.760 13.697 1.00 0.00 C ATOM 1172 O TYR A 82 -2.320 -1.031 14.581 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.497 -2.164 11.659 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.183 -3.352 11.025 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.872 -4.649 11.416 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.144 -3.178 10.036 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.498 -5.737 10.839 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.774 -4.261 9.456 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.448 -5.538 9.860 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.074 -6.620 9.285 1.00 0.00 O ATOM 0 H TYR A 82 -5.552 -0.495 12.699 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.918 -2.748 13.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.646 -1.289 11.027 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.424 -2.352 11.695 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.129 -4.809 12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.402 -2.179 9.716 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.244 -6.739 11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.519 -4.108 8.689 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.813 -6.309 8.722 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.314 0.472 13.233 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.550 1.602 13.750 1.00 0.00 C ATOM 1192 C PHE A 83 -3.398 2.870 13.770 1.00 0.00 C ATOM 1193 O PHE A 83 -4.577 2.846 13.415 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.297 1.827 12.903 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.568 1.857 11.426 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.719 0.679 10.712 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.673 3.064 10.752 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -1.970 0.704 9.352 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.922 3.094 9.393 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.071 1.913 8.692 1.00 0.00 C ATOM 0 H PHE A 83 -3.983 0.713 12.501 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.253 1.369 14.773 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.833 2.768 13.198 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.578 1.036 13.116 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.640 -0.269 11.223 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.559 3.991 11.295 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.087 -0.221 8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.000 4.041 8.879 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.266 1.935 7.630 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.789 3.975 14.187 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.488 5.253 14.255 1.00 0.00 C ATOM 1212 C GLU A 84 -2.922 6.236 13.234 1.00 0.00 C ATOM 1213 O GLU A 84 -1.711 6.302 13.026 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.381 5.842 15.663 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.298 7.031 15.897 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.078 7.679 17.249 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.688 6.962 18.195 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.295 8.903 17.364 1.00 0.00 O ATOM 0 H GLU A 84 -1.813 4.011 14.483 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.538 5.079 14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.614 5.065 16.391 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.350 6.148 15.842 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.135 7.771 15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.335 6.706 15.818 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.808 6.999 12.602 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.397 7.981 11.603 1.00 0.00 C ATOM 1227 C CYS A 85 -4.585 8.822 11.147 1.00 0.00 C ATOM 1228 O CYS A 85 -5.697 8.668 11.650 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.761 7.280 10.401 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.802 6.005 9.653 1.00 0.00 S ATOM 0 H CYS A 85 -4.814 6.957 12.763 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.661 8.643 12.060 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.520 8.027 9.644 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.820 6.828 10.714 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.233 4.844 9.790 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.342 9.712 10.190 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.392 10.579 9.666 1.00 0.00 C ATOM 1238 C LYS A 86 -6.455 9.764 8.935 1.00 0.00 C ATOM 1239 O LYS A 86 -6.396 8.536 8.901 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.796 11.625 8.722 1.00 0.00 C ATOM 1241 CG LYS A 86 -3.933 12.660 9.424 1.00 0.00 C ATOM 1242 CD LYS A 86 -2.548 12.113 9.736 1.00 0.00 C ATOM 1243 CE LYS A 86 -1.519 13.227 9.837 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.850 14.194 10.919 1.00 0.00 N ATOM 0 H LYS A 86 -3.427 9.852 9.761 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.863 11.087 10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.197 11.119 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.606 12.134 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.842 13.546 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.418 12.973 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.578 11.558 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.250 11.410 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.535 12.796 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.460 13.754 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.098 14.909 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.753 14.662 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.931 13.688 11.824 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.427 10.459 8.350 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.504 9.802 7.621 1.00 0.00 C ATOM 1260 C GLU A 87 -7.984 9.159 6.338 1.00 0.00 C ATOM 1261 O GLU A 87 -8.430 8.079 5.950 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.611 10.806 7.292 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.010 10.285 7.580 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.425 10.498 9.023 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.598 10.244 9.923 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.578 10.921 9.252 1.00 0.00 O ATOM 0 H GLU A 87 -7.489 11.477 8.368 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.912 9.017 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.446 11.717 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.543 11.077 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.722 10.785 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.053 9.221 7.346 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.042 9.829 5.682 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.468 9.318 4.442 1.00 0.00 C ATOM 1275 C LYS A 88 -4.954 9.518 4.410 1.00 0.00 C ATOM 1276 O LYS A 88 -4.431 10.246 3.566 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.111 10.006 3.236 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.616 9.805 3.150 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.369 11.107 3.371 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.014 12.142 2.317 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.995 13.263 2.285 1.00 0.00 N ATOM 0 H LYS A 88 -6.661 10.724 5.987 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.672 8.248 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.898 11.074 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.650 9.627 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.874 9.397 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.929 9.073 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.442 10.916 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.136 11.500 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.018 12.537 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.976 11.665 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.717 13.947 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.941 12.890 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.013 13.735 3.211 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.255 8.863 5.330 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.802 8.964 5.403 1.00 0.00 C ATOM 1297 C HIS A 89 -2.163 7.578 5.391 1.00 0.00 C ATOM 1298 O HIS A 89 -1.166 7.349 4.705 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.381 9.722 6.662 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.243 11.198 6.451 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.109 11.916 6.762 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.125 12.095 5.942 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.334 13.198 6.442 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.543 13.359 5.939 1.00 0.00 N ATOM 0 H HIS A 89 -4.671 8.256 6.036 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.457 9.514 4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.115 9.542 7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.431 9.323 7.016 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.251 11.539 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.121 11.864 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.619 13.996 6.578 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.744 6.658 6.154 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.220 5.308 6.216 1.00 0.00 C ATOM 1314 C GLY A 90 -2.651 4.467 5.030 1.00 0.00 C ATOM 1315 O GLY A 90 -3.799 4.544 4.592 1.00 0.00 O ATOM 0 H GLY A 90 -3.569 6.824 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.131 5.345 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.557 4.832 7.137 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.729 3.664 4.508 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.022 2.809 3.366 1.00 0.00 C ATOM 1321 C ILE A 91 -1.374 1.438 3.526 1.00 0.00 C ATOM 1322 O ILE A 91 -0.187 1.334 3.834 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.541 3.450 2.048 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.948 2.586 0.853 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.033 3.653 2.073 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.996 3.346 -0.455 1.00 0.00 C ATOM 0 H ILE A 91 -0.774 3.588 4.858 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.105 2.690 3.326 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.017 4.425 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.245 1.758 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.928 2.151 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.289 4.106 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.232 4.308 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.462 2.690 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.292 2.670 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.720 4.157 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.011 3.759 -0.672 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.162 0.389 3.315 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.666 -0.976 3.436 1.00 0.00 C ATOM 1340 C PHE A 92 -1.106 -1.471 2.107 1.00 0.00 C ATOM 1341 O PHE A 92 -1.849 -1.672 1.145 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.783 -1.907 3.910 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.401 -1.490 5.214 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.309 -0.443 5.262 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.075 -2.144 6.392 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.880 -0.058 6.460 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.643 -1.763 7.593 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.546 -0.719 7.627 1.00 0.00 C ATOM 0 H PHE A 92 -3.147 0.459 3.059 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.862 -0.980 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.559 -1.947 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.384 -2.916 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.573 0.077 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.369 -2.961 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.586 0.759 6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.381 -2.281 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.991 -0.419 8.564 1.00 0.00 H new ATOM 1358 N ALA A 93 0.208 -1.667 2.059 1.00 0.00 N ATOM 1359 CA ALA A 93 0.866 -2.141 0.848 1.00 0.00 C ATOM 1360 C ALA A 93 1.661 -3.416 1.119 1.00 0.00 C ATOM 1361 O ALA A 93 2.224 -3.586 2.201 1.00 0.00 O ATOM 1362 CB ALA A 93 1.777 -1.060 0.285 1.00 0.00 C ATOM 0 H ALA A 93 0.837 -1.505 2.845 1.00 0.00 H new ATOM 0 HA ALA A 93 0.096 -2.372 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.262 -1.428 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.187 -0.175 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.535 -0.802 1.024 1.00 0.00 H new ATOM 1368 N PRO A 94 1.718 -4.335 0.139 1.00 0.00 N ATOM 1369 CA PRO A 94 2.450 -5.597 0.283 1.00 0.00 C ATOM 1370 C PRO A 94 3.895 -5.381 0.725 1.00 0.00 C ATOM 1371 O PRO A 94 4.445 -4.292 0.560 1.00 0.00 O ATOM 1372 CB PRO A 94 2.406 -6.199 -1.124 1.00 0.00 C ATOM 1373 CG PRO A 94 1.199 -5.599 -1.756 1.00 0.00 C ATOM 1374 CD PRO A 94 1.076 -4.214 -1.184 1.00 0.00 C ATOM 0 HA PRO A 94 2.010 -6.237 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.308 -5.958 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.334 -7.286 -1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.303 -5.565 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.310 -6.191 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.578 -3.475 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.034 -3.905 -1.099 1.00 0.00 H new ATOM 1382 N PRO A 95 4.531 -6.419 1.293 1.00 0.00 N ATOM 1383 CA PRO A 95 5.920 -6.336 1.759 1.00 0.00 C ATOM 1384 C PRO A 95 6.896 -6.073 0.618 1.00 0.00 C ATOM 1385 O PRO A 95 7.952 -5.471 0.817 1.00 0.00 O ATOM 1386 CB PRO A 95 6.180 -7.714 2.378 1.00 0.00 C ATOM 1387 CG PRO A 95 5.159 -8.611 1.768 1.00 0.00 C ATOM 1388 CD PRO A 95 3.951 -7.753 1.525 1.00 0.00 C ATOM 0 HA PRO A 95 6.064 -5.511 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.190 -8.060 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.081 -7.684 3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.525 -9.043 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.921 -9.441 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.377 -8.098 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.276 -7.756 2.381 1.00 0.00 H new ATOM 1396 N GLN A 96 6.536 -6.528 -0.578 1.00 0.00 N ATOM 1397 CA GLN A 96 7.379 -6.340 -1.753 1.00 0.00 C ATOM 1398 C GLN A 96 7.544 -4.858 -2.076 1.00 0.00 C ATOM 1399 O GLN A 96 8.554 -4.446 -2.646 1.00 0.00 O ATOM 1400 CB GLN A 96 6.783 -7.074 -2.955 1.00 0.00 C ATOM 1401 CG GLN A 96 5.324 -6.735 -3.212 1.00 0.00 C ATOM 1402 CD GLN A 96 5.016 -6.560 -4.686 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.488 -5.620 -5.324 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.218 -7.469 -5.236 1.00 0.00 N ATOM 0 H GLN A 96 5.666 -7.029 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 96 8.363 -6.755 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.366 -6.832 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.875 -8.148 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.694 -7.526 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.069 -5.818 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.849 -8.233 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.975 -7.403 -6.224 1.00 0.00 H new ATOM 1413 N LYS A 97 6.545 -4.061 -1.708 1.00 0.00 N ATOM 1414 CA LYS A 97 6.581 -2.625 -1.960 1.00 0.00 C ATOM 1415 C LYS A 97 7.040 -1.865 -0.719 1.00 0.00 C ATOM 1416 O LYS A 97 6.626 -0.729 -0.487 1.00 0.00 O ATOM 1417 CB LYS A 97 5.200 -2.130 -2.395 1.00 0.00 C ATOM 1418 CG LYS A 97 4.628 -2.887 -3.583 1.00 0.00 C ATOM 1419 CD LYS A 97 4.360 -1.962 -4.760 1.00 0.00 C ATOM 1420 CE LYS A 97 2.896 -1.557 -4.829 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.600 -0.395 -3.947 1.00 0.00 N ATOM 0 H LYS A 97 5.702 -4.385 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 97 7.296 -2.439 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.511 -2.216 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.265 -1.071 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.324 -3.670 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.702 -3.380 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.981 -1.071 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.645 -2.459 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.636 -1.307 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.271 -2.402 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.592 -0.150 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.824 -0.641 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.177 0.419 -4.240 1.00 0.00 H new ATOM 1435 N ILE A 98 7.897 -2.500 0.075 1.00 0.00 N ATOM 1436 CA ILE A 98 8.411 -1.882 1.291 1.00 0.00 C ATOM 1437 C ILE A 98 9.933 -1.796 1.262 1.00 0.00 C ATOM 1438 O ILE A 98 10.620 -2.808 1.126 1.00 0.00 O ATOM 1439 CB ILE A 98 7.977 -2.664 2.546 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.478 -2.962 2.497 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.327 -1.881 3.804 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.618 -1.725 2.361 1.00 0.00 C ATOM 0 H ILE A 98 8.249 -3.441 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 98 7.993 -0.876 1.336 1.00 0.00 H new ATOM 0 HB ILE A 98 8.514 -3.612 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.276 -3.629 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.192 -3.495 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.015 -2.445 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.404 -1.716 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.813 -0.920 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.567 -2.014 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.791 -1.066 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.876 -1.202 1.440 1.00 0.00 H new ATOM 1454 N SER A 99 10.454 -0.581 1.393 1.00 0.00 N ATOM 1455 CA SER A 99 11.896 -0.361 1.383 1.00 0.00 C ATOM 1456 C SER A 99 12.282 0.759 2.343 1.00 0.00 C ATOM 1457 O SER A 99 11.443 1.573 2.731 1.00 0.00 O ATOM 1458 CB SER A 99 12.371 -0.023 -0.031 1.00 0.00 C ATOM 1459 OG SER A 99 11.508 -0.581 -1.007 1.00 0.00 O ATOM 0 H SER A 99 9.899 0.267 1.507 1.00 0.00 H new ATOM 0 HA SER A 99 12.381 -1.280 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.413 1.059 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.383 -0.400 -0.178 1.00 0.00 H new ATOM 0 HG SER A 99 11.833 -0.349 -1.902 1.00 0.00 H new ATOM 1465 N HIS A 100 13.555 0.796 2.721 1.00 0.00 N ATOM 1466 CA HIS A 100 14.050 1.818 3.636 1.00 0.00 C ATOM 1467 C HIS A 100 14.308 3.127 2.898 1.00 0.00 C ATOM 1468 O HIS A 100 14.993 3.151 1.875 1.00 0.00 O ATOM 1469 CB HIS A 100 15.333 1.342 4.319 1.00 0.00 C ATOM 1470 CG HIS A 100 15.099 0.319 5.386 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.104 -1.040 5.160 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.849 0.477 6.711 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.861 -1.651 6.329 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.700 -0.775 7.301 1.00 0.00 N ATOM 0 H HIS A 100 14.262 0.131 2.408 1.00 0.00 H new ATOM 0 HA HIS A 100 13.287 1.993 4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.002 0.924 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.842 2.201 4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.777 1.424 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.805 -2.722 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.506 -0.974 8.283 1.00 0.00 H new ATOM 1482 N ILE A 101 13.753 4.215 3.422 1.00 0.00 N ATOM 1483 CA ILE A 101 13.922 5.528 2.811 1.00 0.00 C ATOM 1484 C ILE A 101 15.386 5.969 2.857 1.00 0.00 C ATOM 1485 O ILE A 101 16.021 5.919 3.910 1.00 0.00 O ATOM 1486 CB ILE A 101 13.053 6.590 3.513 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.600 6.120 3.596 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.142 7.921 2.777 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.679 7.113 4.272 1.00 0.00 C ATOM 0 H ILE A 101 13.183 4.213 4.268 1.00 0.00 H new ATOM 0 HA ILE A 101 13.603 5.440 1.772 1.00 0.00 H new ATOM 0 HB ILE A 101 13.429 6.731 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.232 5.924 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.563 5.175 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.523 8.660 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.177 8.262 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.790 7.795 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.666 6.712 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.022 7.291 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.686 8.051 3.717 1.00 0.00 H new ATOM 1501 N PRO A 102 15.944 6.408 1.714 1.00 0.00 N ATOM 1502 CA PRO A 102 17.338 6.856 1.639 1.00 0.00 C ATOM 1503 C PRO A 102 17.662 7.919 2.682 1.00 0.00 C ATOM 1504 O PRO A 102 16.838 8.784 2.978 1.00 0.00 O ATOM 1505 CB PRO A 102 17.453 7.440 0.229 1.00 0.00 C ATOM 1506 CG PRO A 102 16.390 6.752 -0.555 1.00 0.00 C ATOM 1507 CD PRO A 102 15.263 6.503 0.408 1.00 0.00 C ATOM 0 HA PRO A 102 18.036 6.042 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.304 8.520 0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.440 7.256 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.060 7.369 -1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.759 5.816 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.535 7.314 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.724 5.586 0.168 1.00 0.00 H new ATOM 1515 N GLU A 103 18.868 7.848 3.235 1.00 0.00 N ATOM 1516 CA GLU A 103 19.304 8.806 4.245 1.00 0.00 C ATOM 1517 C GLU A 103 19.317 10.225 3.682 1.00 0.00 C ATOM 1518 O GLU A 103 19.164 11.197 4.421 1.00 0.00 O ATOM 1519 CB GLU A 103 20.696 8.436 4.763 1.00 0.00 C ATOM 1520 CG GLU A 103 20.670 7.546 5.995 1.00 0.00 C ATOM 1521 CD GLU A 103 20.416 8.325 7.271 1.00 0.00 C ATOM 1522 OE1 GLU A 103 19.457 9.125 7.298 1.00 0.00 O ATOM 1523 OE2 GLU A 103 21.176 8.134 8.245 1.00 0.00 O ATOM 0 H GLU A 103 19.561 7.137 3.001 1.00 0.00 H new ATOM 0 HA GLU A 103 18.595 8.770 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.247 7.929 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.242 9.350 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.895 6.789 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.621 7.019 6.078 1.00 0.00 H new ATOM 1530 N ASN A 104 19.505 10.335 2.370 1.00 0.00 N ATOM 1531 CA ASN A 104 19.540 11.635 1.710 1.00 0.00 C ATOM 1532 C ASN A 104 18.184 11.972 1.095 1.00 0.00 C ATOM 1533 O ASN A 104 18.107 12.647 0.070 1.00 0.00 O ATOM 1534 CB ASN A 104 20.620 11.651 0.627 1.00 0.00 C ATOM 1535 CG ASN A 104 21.961 12.122 1.154 1.00 0.00 C ATOM 1536 OD1 ASN A 104 22.219 13.323 1.244 1.00 0.00 O ATOM 1537 ND2 ASN A 104 22.824 11.177 1.506 1.00 0.00 N ATOM 0 H ASN A 104 19.635 9.540 1.744 1.00 0.00 H new ATOM 0 HA ASN A 104 19.775 12.389 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 104 20.728 10.649 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 104 20.304 12.302 -0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 104 23.742 11.434 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 104 22.569 10.194 1.415 1.00 0.00 H new ATOM 1544 N PHE A 105 17.117 11.498 1.730 1.00 0.00 N ATOM 1545 CA PHE A 105 15.765 11.751 1.246 1.00 0.00 C ATOM 1546 C PHE A 105 15.026 12.710 2.173 1.00 0.00 C ATOM 1547 O PHE A 105 14.176 13.484 1.731 1.00 0.00 O ATOM 1548 CB PHE A 105 14.989 10.437 1.128 1.00 0.00 C ATOM 1549 CG PHE A 105 13.736 10.553 0.307 1.00 0.00 C ATOM 1550 CD1 PHE A 105 13.803 10.629 -1.075 1.00 0.00 C ATOM 1551 CD2 PHE A 105 12.493 10.585 0.918 1.00 0.00 C ATOM 1552 CE1 PHE A 105 12.652 10.736 -1.832 1.00 0.00 C ATOM 1553 CE2 PHE A 105 11.338 10.691 0.165 1.00 0.00 C ATOM 1554 CZ PHE A 105 11.418 10.767 -1.212 1.00 0.00 C ATOM 0 H PHE A 105 17.163 10.937 2.581 1.00 0.00 H new ATOM 0 HA PHE A 105 15.839 12.211 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.636 9.681 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 105 14.728 10.087 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 105 14.765 10.604 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.425 10.527 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.717 10.795 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.375 10.714 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.518 10.850 -1.803 1.00 0.00 H new ATOM 1564 N ASP A 106 15.353 12.654 3.459 1.00 0.00 N ATOM 1565 CA ASP A 106 14.720 13.518 4.448 1.00 0.00 C ATOM 1566 C ASP A 106 15.637 14.679 4.820 1.00 0.00 C ATOM 1567 O ASP A 106 16.374 14.610 5.804 1.00 0.00 O ATOM 1568 CB ASP A 106 14.354 12.716 5.698 1.00 0.00 C ATOM 1569 CG ASP A 106 12.855 12.543 5.855 1.00 0.00 C ATOM 1570 OD1 ASP A 106 12.178 12.281 4.840 1.00 0.00 O ATOM 1571 OD2 ASP A 106 12.360 12.669 6.995 1.00 0.00 O ATOM 0 H ASP A 106 16.053 12.019 3.841 1.00 0.00 H new ATOM 0 HA ASP A 106 13.809 13.925 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.827 11.735 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.753 13.219 6.579 1.00 0.00 H new ATOM 1576 N ASP A 107 15.585 15.746 4.029 1.00 0.00 N ATOM 1577 CA ASP A 107 16.411 16.922 4.276 1.00 0.00 C ATOM 1578 C ASP A 107 15.699 17.902 5.203 1.00 0.00 C ATOM 1579 O ASP A 107 16.334 18.597 5.995 1.00 0.00 O ATOM 1580 CB ASP A 107 16.760 17.612 2.957 1.00 0.00 C ATOM 1581 CG ASP A 107 17.323 16.647 1.932 1.00 0.00 C ATOM 1582 OD1 ASP A 107 17.944 15.643 2.339 1.00 0.00 O ATOM 1583 OD2 ASP A 107 17.144 16.896 0.721 1.00 0.00 O ATOM 0 H ASP A 107 14.979 15.820 3.212 1.00 0.00 H new ATOM 0 HA ASP A 107 17.330 16.594 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.867 18.088 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 107 17.486 18.403 3.145 1.00 0.00 H new ATOM 1588 N TYR A 108 14.374 17.951 5.099 1.00 0.00 N ATOM 1589 CA TYR A 108 13.575 18.846 5.928 1.00 0.00 C ATOM 1590 C TYR A 108 13.477 18.319 7.357 1.00 0.00 C ATOM 1591 O TYR A 108 13.926 17.213 7.654 1.00 0.00 O ATOM 1592 CB TYR A 108 12.176 19.012 5.336 1.00 0.00 C ATOM 1593 CG TYR A 108 11.490 17.701 5.024 1.00 0.00 C ATOM 1594 CD1 TYR A 108 10.924 16.934 6.036 1.00 0.00 C ATOM 1595 CD2 TYR A 108 11.407 17.230 3.720 1.00 0.00 C ATOM 1596 CE1 TYR A 108 10.295 15.735 5.756 1.00 0.00 C ATOM 1597 CE2 TYR A 108 10.780 16.032 3.432 1.00 0.00 C ATOM 1598 CZ TYR A 108 10.226 15.289 4.453 1.00 0.00 C ATOM 1599 OH TYR A 108 9.601 14.096 4.169 1.00 0.00 O ATOM 0 H TYR A 108 13.832 17.382 4.449 1.00 0.00 H new ATOM 0 HA TYR A 108 14.068 19.818 5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 108 11.560 19.577 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 108 12.245 19.603 4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 108 10.976 17.280 7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 108 11.839 17.809 2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.860 15.151 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.724 15.680 2.413 1.00 0.00 H new ATOM 0 HH TYR A 108 10.224 13.355 4.325 1.00 0.00 H new ATOM 1609 N VAL A 109 12.883 19.120 8.236 1.00 0.00 N ATOM 1610 CA VAL A 109 12.725 18.736 9.633 1.00 0.00 C ATOM 1611 C VAL A 109 11.438 17.944 9.843 1.00 0.00 C ATOM 1612 O VAL A 109 10.340 18.469 9.668 1.00 0.00 O ATOM 1613 CB VAL A 109 12.714 19.967 10.558 1.00 0.00 C ATOM 1614 CG1 VAL A 109 14.050 20.693 10.497 1.00 0.00 C ATOM 1615 CG2 VAL A 109 11.571 20.904 10.193 1.00 0.00 C ATOM 0 H VAL A 109 12.504 20.038 8.005 1.00 0.00 H new ATOM 0 HA VAL A 109 13.580 18.110 9.887 1.00 0.00 H new ATOM 0 HB VAL A 109 12.558 19.626 11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 109 14.023 21.560 11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.845 20.019 10.815 1.00 0.00 H new ATOM 0 HG13 VAL A 109 14.240 21.021 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.581 21.767 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.690 21.239 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.622 20.378 10.296 1.00 0.00 H new ATOM 1625 N ASP A 110 11.583 16.677 10.219 1.00 0.00 N ATOM 1626 CA ASP A 110 10.432 15.813 10.453 1.00 0.00 C ATOM 1627 C ASP A 110 10.841 14.555 11.211 1.00 0.00 C ATOM 1628 O ASP A 110 11.692 13.791 10.754 1.00 0.00 O ATOM 1629 CB ASP A 110 9.776 15.432 9.125 1.00 0.00 C ATOM 1630 CG ASP A 110 8.276 15.247 9.253 1.00 0.00 C ATOM 1631 OD1 ASP A 110 7.844 14.536 10.185 1.00 0.00 O ATOM 1632 OD2 ASP A 110 7.535 15.812 8.422 1.00 0.00 O ATOM 0 H ASP A 110 12.486 16.226 10.368 1.00 0.00 H new ATOM 0 HA ASP A 110 9.714 16.363 11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.982 16.206 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.223 14.510 8.754 1.00 0.00 H new ATOM 1637 N ILE A 111 10.229 14.345 12.372 1.00 0.00 N ATOM 1638 CA ILE A 111 10.530 13.178 13.194 1.00 0.00 C ATOM 1639 C ILE A 111 9.254 12.447 13.598 1.00 0.00 C ATOM 1640 O ILE A 111 8.314 13.054 14.111 1.00 0.00 O ATOM 1641 CB ILE A 111 11.305 13.573 14.466 1.00 0.00 C ATOM 1642 CG1 ILE A 111 12.481 14.489 14.112 1.00 0.00 C ATOM 1643 CG2 ILE A 111 11.792 12.330 15.197 1.00 0.00 C ATOM 1644 CD1 ILE A 111 12.321 15.902 14.629 1.00 0.00 C ATOM 0 H ILE A 111 9.522 14.967 12.765 1.00 0.00 H new ATOM 0 HA ILE A 111 11.150 12.516 12.589 1.00 0.00 H new ATOM 0 HB ILE A 111 10.633 14.119 15.128 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.398 14.063 14.519 1.00 0.00 H new ATOM 0 HG13 ILE A 111 12.596 14.518 13.028 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.338 12.625 16.093 1.00 0.00 H new ATOM 0 HG22 ILE A 111 10.937 11.715 15.479 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.451 11.758 14.543 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.189 16.495 14.342 1.00 0.00 H new ATOM 0 HD12 ILE A 111 11.422 16.346 14.202 1.00 0.00 H new ATOM 0 HD13 ILE A 111 12.237 15.884 15.716 1.00 0.00 H new ATOM 1656 N ASN A 112 9.227 11.139 13.361 1.00 0.00 N ATOM 1657 CA ASN A 112 8.065 10.326 13.700 1.00 0.00 C ATOM 1658 C ASN A 112 8.489 9.035 14.396 1.00 0.00 C ATOM 1659 O ASN A 112 8.770 8.031 13.743 1.00 0.00 O ATOM 1660 CB ASN A 112 7.260 9.999 12.442 1.00 0.00 C ATOM 1661 CG ASN A 112 5.768 9.971 12.701 1.00 0.00 C ATOM 1662 OD1 ASN A 112 5.206 8.771 12.794 1.00 0.00 O flip ATOM 1663 ND2 ASN A 112 5.125 11.015 12.819 1.00 0.00 N flip ATOM 0 H ASN A 112 9.996 10.620 12.936 1.00 0.00 H new ATOM 0 HA ASN A 112 7.439 10.899 14.384 1.00 0.00 H new ATOM 0 HB2 ASN A 112 7.478 10.739 11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.577 9.031 12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 112 5.597 11.916 12.740 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.121 10.978 12.995 1.00 0.00 H new ATOM 1670 N GLU A 113 8.530 9.071 15.724 1.00 0.00 N ATOM 1671 CA GLU A 113 8.918 7.904 16.508 1.00 0.00 C ATOM 1672 C GLU A 113 8.109 7.823 17.799 1.00 0.00 C ATOM 1673 O GLU A 113 8.594 8.187 18.870 1.00 0.00 O ATOM 1674 CB GLU A 113 10.413 7.954 16.830 1.00 0.00 C ATOM 1675 CG GLU A 113 11.069 6.583 16.883 1.00 0.00 C ATOM 1676 CD GLU A 113 12.234 6.455 15.919 1.00 0.00 C ATOM 1677 OE1 GLU A 113 11.985 6.225 14.717 1.00 0.00 O ATOM 1678 OE2 GLU A 113 13.392 6.585 16.368 1.00 0.00 O ATOM 0 H GLU A 113 8.300 9.895 16.279 1.00 0.00 H new ATOM 0 HA GLU A 113 8.711 7.013 15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.918 8.561 16.079 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.553 8.452 17.789 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.419 6.391 17.897 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.326 5.820 16.652 1.00 0.00 H new ATOM 1685 N ASP A 114 6.874 7.345 17.688 1.00 0.00 N ATOM 1686 CA ASP A 114 5.998 7.217 18.847 1.00 0.00 C ATOM 1687 C ASP A 114 5.829 5.753 19.243 1.00 0.00 C ATOM 1688 O ASP A 114 5.201 4.975 18.525 1.00 0.00 O ATOM 1689 CB ASP A 114 4.631 7.838 18.551 1.00 0.00 C ATOM 1690 CG ASP A 114 4.733 9.302 18.170 1.00 0.00 C ATOM 1691 OD1 ASP A 114 5.732 9.679 17.523 1.00 0.00 O ATOM 1692 OD2 ASP A 114 3.812 10.071 18.518 1.00 0.00 O ATOM 0 H ASP A 114 6.457 7.040 16.808 1.00 0.00 H new ATOM 0 HA ASP A 114 6.459 7.749 19.679 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.152 7.287 17.742 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.991 7.737 19.428 1.00 0.00 H new ATOM 1697 N GLU A 115 6.395 5.387 20.387 1.00 0.00 N ATOM 1698 CA GLU A 115 6.307 4.017 20.878 1.00 0.00 C ATOM 1699 C GLU A 115 6.120 3.990 22.392 1.00 0.00 C ATOM 1700 O GLU A 115 5.062 3.609 22.891 1.00 0.00 O ATOM 1701 CB GLU A 115 7.564 3.233 20.492 1.00 0.00 C ATOM 1702 CG GLU A 115 7.279 1.809 20.045 1.00 0.00 C ATOM 1703 CD GLU A 115 8.237 1.334 18.970 1.00 0.00 C ATOM 1704 OE1 GLU A 115 9.395 1.801 18.958 1.00 0.00 O ATOM 1705 OE2 GLU A 115 7.828 0.495 18.139 1.00 0.00 O ATOM 0 H GLU A 115 6.919 6.019 20.992 1.00 0.00 H new ATOM 0 HA GLU A 115 5.438 3.548 20.416 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.079 3.761 19.689 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.243 3.208 21.344 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.344 1.142 20.905 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.258 1.747 19.670 1.00 0.00 H new ATOM 1712 N ASP A 116 7.156 4.400 23.118 1.00 0.00 N ATOM 1713 CA ASP A 116 7.107 4.423 24.574 1.00 0.00 C ATOM 1714 C ASP A 116 7.610 5.757 25.116 1.00 0.00 C ATOM 1715 O ASP A 116 8.325 6.487 24.428 1.00 0.00 O ATOM 1716 CB ASP A 116 7.941 3.277 25.152 1.00 0.00 C ATOM 1717 CG ASP A 116 7.345 1.918 24.848 1.00 0.00 C ATOM 1718 OD1 ASP A 116 6.348 1.547 25.501 1.00 0.00 O ATOM 1719 OD2 ASP A 116 7.876 1.224 23.954 1.00 0.00 O ATOM 0 H ASP A 116 8.039 4.721 22.721 1.00 0.00 H new ATOM 0 HA ASP A 116 6.068 4.297 24.879 1.00 0.00 H new ATOM 0 HB2 ASP A 116 8.952 3.326 24.746 1.00 0.00 H new ATOM 0 HB3 ASP A 116 8.024 3.401 26.232 1.00 0.00 H new ATOM 1724 N SER A 117 7.234 6.069 26.351 1.00 0.00 N ATOM 1725 CA SER A 117 7.648 7.315 26.986 1.00 0.00 C ATOM 1726 C SER A 117 8.765 7.068 27.994 1.00 0.00 C ATOM 1727 O SER A 117 8.837 7.728 29.030 1.00 0.00 O ATOM 1728 CB SER A 117 6.457 7.978 27.679 1.00 0.00 C ATOM 1729 OG SER A 117 6.666 9.372 27.830 1.00 0.00 O ATOM 0 H SER A 117 6.643 5.476 26.933 1.00 0.00 H new ATOM 0 HA SER A 117 8.025 7.981 26.210 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.551 7.804 27.098 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.301 7.522 28.657 1.00 0.00 H new ATOM 0 HG SER A 117 7.504 9.527 28.313 1.00 0.00 H new ATOM 1735 N GLY A 118 9.636 6.114 27.682 1.00 0.00 N ATOM 1736 CA GLY A 118 10.738 5.798 28.572 1.00 0.00 C ATOM 1737 C GLY A 118 11.811 4.964 27.895 1.00 0.00 C ATOM 1738 O GLY A 118 12.081 3.838 28.315 1.00 0.00 O ATOM 0 H GLY A 118 9.599 5.555 26.830 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.180 6.724 28.940 1.00 0.00 H new ATOM 0 HA3 GLY A 118 10.357 5.259 29.440 1.00 0.00 H new ATOM 1742 N PRO A 119 12.445 5.494 26.835 1.00 0.00 N ATOM 1743 CA PRO A 119 13.497 4.779 26.106 1.00 0.00 C ATOM 1744 C PRO A 119 14.592 4.259 27.030 1.00 0.00 C ATOM 1745 O PRO A 119 14.895 4.871 28.055 1.00 0.00 O ATOM 1746 CB PRO A 119 14.057 5.839 25.156 1.00 0.00 C ATOM 1747 CG PRO A 119 12.940 6.806 24.965 1.00 0.00 C ATOM 1748 CD PRO A 119 12.188 6.830 26.267 1.00 0.00 C ATOM 0 HA PRO A 119 13.111 3.895 25.598 1.00 0.00 H new ATOM 0 HB2 PRO A 119 14.934 6.327 25.580 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.365 5.398 24.208 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.320 7.797 24.715 1.00 0.00 H new ATOM 0 HG3 PRO A 119 12.292 6.497 24.145 1.00 0.00 H new ATOM 0 HD2 PRO A 119 12.548 7.622 26.924 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.123 7.003 26.113 1.00 0.00 H new ATOM 1756 N SER A 120 15.185 3.128 26.662 1.00 0.00 N ATOM 1757 CA SER A 120 16.248 2.527 27.459 1.00 0.00 C ATOM 1758 C SER A 120 17.330 1.933 26.563 1.00 0.00 C ATOM 1759 O SER A 120 17.162 0.848 26.007 1.00 0.00 O ATOM 1760 CB SER A 120 15.676 1.443 28.376 1.00 0.00 C ATOM 1761 OG SER A 120 15.331 1.976 29.642 1.00 0.00 O ATOM 0 H SER A 120 14.947 2.609 25.817 1.00 0.00 H new ATOM 0 HA SER A 120 16.697 3.310 28.070 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.795 0.998 27.913 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.408 0.645 28.501 1.00 0.00 H new ATOM 0 HG SER A 120 14.967 1.264 30.208 1.00 0.00 H new ATOM 1767 N SER A 121 18.440 2.650 26.430 1.00 0.00 N ATOM 1768 CA SER A 121 19.552 2.194 25.602 1.00 0.00 C ATOM 1769 C SER A 121 20.742 1.788 26.466 1.00 0.00 C ATOM 1770 O SER A 121 21.382 2.632 27.092 1.00 0.00 O ATOM 1771 CB SER A 121 19.967 3.290 24.621 1.00 0.00 C ATOM 1772 OG SER A 121 20.768 2.763 23.576 1.00 0.00 O ATOM 0 H SER A 121 18.595 3.550 26.885 1.00 0.00 H new ATOM 0 HA SER A 121 19.221 1.321 25.040 1.00 0.00 H new ATOM 0 HB2 SER A 121 19.079 3.761 24.200 1.00 0.00 H new ATOM 0 HB3 SER A 121 20.519 4.066 25.151 1.00 0.00 H new ATOM 0 HG SER A 121 21.019 3.484 22.961 1.00 0.00 H new ATOM 1778 N GLY A 122 21.033 0.492 26.492 1.00 0.00 N ATOM 1779 CA GLY A 122 22.146 -0.003 27.281 1.00 0.00 C ATOM 1780 C GLY A 122 23.109 -0.840 26.463 1.00 0.00 C ATOM 1781 O GLY A 122 24.335 -0.645 26.607 1.00 0.00 O ATOM 1782 OXT GLY A 122 22.639 -1.691 25.679 1.00 0.00 O ATOM 0 H GLY A 122 20.518 -0.225 25.981 1.00 0.00 H new ATOM 0 HA2 GLY A 122 22.682 0.840 27.717 1.00 0.00 H new ATOM 0 HA3 GLY A 122 21.763 -0.600 28.109 1.00 0.00 H new TER 1786 GLY A 122