USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -130:sc= 0.00445 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.684 K(o=-0.68,f=-0.16) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -3.45! C(o=-12!,f=-13!) USER MOD Set 2.2: A 49 ASN : amide:sc= -8.05! C(o=-12!,f=-28!) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= -0.326 USER MOD Set 3.2: A 36 ASN : amide:sc= 0 X(o=-0.33,f=-0.33) USER MOD Set 4.1: A 18 ASN : amide:sc= -1.73 K(o=-1.7,f=-6.1!) USER MOD Set 4.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0879 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 50:sc= 0.718 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.55) USER MOD Single : A 16 MET CE :methyl -110:sc= -0.328 (180deg=-2.12!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 20:sc= -2.87 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0356 (180deg=-0.693) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.38) USER MOD Single : A 60 SER OG : rot 180:sc= -0.101 USER MOD Single : A 69 TYR OH : rot 30:sc= -0.0378 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -175:sc= -6.01! (180deg=-6.31!) USER MOD Single : A 94 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.16) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.758 X(o=-0.76,f=-0.29) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.68) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.263 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.692 -22.480 -27.015 1.00 0.00 N ATOM 2 CA GLY A 1 -23.621 -21.325 -26.138 1.00 0.00 C ATOM 3 C GLY A 1 -22.397 -20.464 -26.461 1.00 0.00 C ATOM 4 O GLY A 1 -21.791 -20.615 -27.521 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.681 -22.646 -27.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.119 -22.306 -27.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.327 -23.317 -26.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.527 -20.728 -26.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.574 -21.655 -25.100 1.00 0.00 H new ATOM 8 N SER A 2 -22.071 -19.582 -25.528 1.00 0.00 N ATOM 9 CA SER A 2 -20.931 -18.698 -25.701 1.00 0.00 C ATOM 10 C SER A 2 -20.593 -18.015 -24.374 1.00 0.00 C ATOM 11 O SER A 2 -20.956 -16.860 -24.156 1.00 0.00 O ATOM 12 CB SER A 2 -21.205 -17.650 -26.782 1.00 0.00 C ATOM 13 OG SER A 2 -20.212 -16.629 -26.800 1.00 0.00 O ATOM 0 H SER A 2 -22.576 -19.461 -24.650 1.00 0.00 H new ATOM 0 HA SER A 2 -20.079 -19.297 -26.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.243 -18.136 -27.757 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.184 -17.201 -26.612 1.00 0.00 H new ATOM 0 HG SER A 2 -20.422 -15.981 -27.504 1.00 0.00 H new ATOM 19 N SER A 3 -19.902 -18.757 -23.522 1.00 0.00 N ATOM 20 CA SER A 3 -19.511 -18.238 -22.223 1.00 0.00 C ATOM 21 C SER A 3 -20.755 -17.917 -21.392 1.00 0.00 C ATOM 22 O SER A 3 -21.853 -17.795 -21.933 1.00 0.00 O ATOM 23 CB SER A 3 -18.634 -16.992 -22.369 1.00 0.00 C ATOM 24 OG SER A 3 -17.427 -17.269 -23.073 1.00 0.00 O ATOM 0 H SER A 3 -19.603 -19.715 -23.706 1.00 0.00 H new ATOM 0 HA SER A 3 -18.927 -19.002 -21.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.191 -16.216 -22.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.395 -16.599 -21.381 1.00 0.00 H new ATOM 0 HG SER A 3 -16.896 -16.449 -23.147 1.00 0.00 H new ATOM 30 N GLY A 4 -20.541 -17.790 -20.090 1.00 0.00 N ATOM 31 CA GLY A 4 -21.631 -17.486 -19.179 1.00 0.00 C ATOM 32 C GLY A 4 -21.152 -17.501 -17.726 1.00 0.00 C ATOM 33 O GLY A 4 -21.540 -18.373 -16.950 1.00 0.00 O ATOM 0 H GLY A 4 -19.629 -17.892 -19.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.047 -16.507 -19.418 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.432 -18.214 -19.309 1.00 0.00 H new ATOM 37 N SER A 5 -20.316 -16.526 -17.402 1.00 0.00 N ATOM 38 CA SER A 5 -19.779 -16.417 -16.056 1.00 0.00 C ATOM 39 C SER A 5 -18.995 -15.111 -15.910 1.00 0.00 C ATOM 40 O SER A 5 -17.788 -15.079 -16.143 1.00 0.00 O ATOM 41 CB SER A 5 -18.886 -17.613 -15.720 1.00 0.00 C ATOM 42 OG SER A 5 -18.811 -17.845 -14.316 1.00 0.00 O ATOM 0 H SER A 5 -19.997 -15.804 -18.048 1.00 0.00 H new ATOM 0 HA SER A 5 -20.613 -16.413 -15.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.272 -18.504 -16.215 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.884 -17.439 -16.113 1.00 0.00 H new ATOM 0 HG SER A 5 -18.233 -18.617 -14.142 1.00 0.00 H new ATOM 48 N SER A 6 -19.713 -14.067 -15.524 1.00 0.00 N ATOM 49 CA SER A 6 -19.099 -12.762 -15.344 1.00 0.00 C ATOM 50 C SER A 6 -19.958 -11.903 -14.414 1.00 0.00 C ATOM 51 O SER A 6 -21.180 -12.042 -14.387 1.00 0.00 O ATOM 52 CB SER A 6 -18.903 -12.056 -16.687 1.00 0.00 C ATOM 53 OG SER A 6 -17.834 -11.114 -16.644 1.00 0.00 O ATOM 0 H SER A 6 -20.714 -14.098 -15.331 1.00 0.00 H new ATOM 0 HA SER A 6 -18.117 -12.905 -14.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.702 -12.797 -17.460 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.825 -11.546 -16.966 1.00 0.00 H new ATOM 0 HG SER A 6 -17.740 -10.686 -17.521 1.00 0.00 H new ATOM 59 N GLY A 7 -19.286 -11.035 -13.673 1.00 0.00 N ATOM 60 CA GLY A 7 -19.972 -10.154 -12.744 1.00 0.00 C ATOM 61 C GLY A 7 -19.795 -10.634 -11.301 1.00 0.00 C ATOM 62 O GLY A 7 -20.762 -11.030 -10.652 1.00 0.00 O ATOM 0 H GLY A 7 -18.272 -10.923 -13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.584 -9.140 -12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.033 -10.115 -12.990 1.00 0.00 H new ATOM 66 N MET A 8 -18.554 -10.581 -10.842 1.00 0.00 N ATOM 67 CA MET A 8 -18.238 -11.006 -9.489 1.00 0.00 C ATOM 68 C MET A 8 -17.373 -9.964 -8.776 1.00 0.00 C ATOM 69 O MET A 8 -16.213 -9.765 -9.133 1.00 0.00 O ATOM 70 CB MET A 8 -17.495 -12.342 -9.533 1.00 0.00 C ATOM 71 CG MET A 8 -17.363 -12.943 -8.132 1.00 0.00 C ATOM 72 SD MET A 8 -16.545 -14.527 -8.220 1.00 0.00 S ATOM 73 CE MET A 8 -15.134 -14.206 -7.176 1.00 0.00 C ATOM 0 H MET A 8 -17.755 -10.250 -11.383 1.00 0.00 H new ATOM 0 HA MET A 8 -19.171 -11.118 -8.936 1.00 0.00 H new ATOM 0 HB2 MET A 8 -18.028 -13.037 -10.182 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.505 -12.197 -9.965 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.797 -12.268 -7.490 1.00 0.00 H new ATOM 0 HG3 MET A 8 -18.349 -13.059 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.512 -15.099 -7.121 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.553 -13.384 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.475 -13.939 -6.176 1.00 0.00 H new ATOM 83 N SER A 9 -17.971 -9.327 -7.779 1.00 0.00 N ATOM 84 CA SER A 9 -17.270 -8.311 -7.013 1.00 0.00 C ATOM 85 C SER A 9 -17.942 -8.127 -5.651 1.00 0.00 C ATOM 86 O SER A 9 -18.787 -7.248 -5.485 1.00 0.00 O ATOM 87 CB SER A 9 -17.229 -6.982 -7.768 1.00 0.00 C ATOM 88 OG SER A 9 -18.535 -6.491 -8.057 1.00 0.00 O ATOM 0 H SER A 9 -18.933 -9.495 -7.485 1.00 0.00 H new ATOM 0 HA SER A 9 -16.243 -8.644 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.688 -6.245 -7.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.676 -7.111 -8.698 1.00 0.00 H new ATOM 0 HG SER A 9 -19.077 -6.504 -7.241 1.00 0.00 H new ATOM 94 N SER A 10 -17.543 -8.970 -4.710 1.00 0.00 N ATOM 95 CA SER A 10 -18.096 -8.911 -3.368 1.00 0.00 C ATOM 96 C SER A 10 -17.175 -9.643 -2.390 1.00 0.00 C ATOM 97 O SER A 10 -16.801 -10.791 -2.624 1.00 0.00 O ATOM 98 CB SER A 10 -19.502 -9.514 -3.325 1.00 0.00 C ATOM 99 OG SER A 10 -20.341 -8.842 -2.389 1.00 0.00 O ATOM 0 H SER A 10 -16.843 -9.698 -4.851 1.00 0.00 H new ATOM 0 HA SER A 10 -18.169 -7.864 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.950 -9.461 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.436 -10.569 -3.061 1.00 0.00 H new ATOM 0 HG SER A 10 -21.230 -9.254 -2.392 1.00 0.00 H new ATOM 105 N HIS A 11 -16.835 -8.948 -1.314 1.00 0.00 N ATOM 106 CA HIS A 11 -15.964 -9.517 -0.299 1.00 0.00 C ATOM 107 C HIS A 11 -14.614 -9.874 -0.923 1.00 0.00 C ATOM 108 O HIS A 11 -14.522 -10.095 -2.129 1.00 0.00 O ATOM 109 CB HIS A 11 -16.635 -10.711 0.384 1.00 0.00 C ATOM 110 CG HIS A 11 -17.211 -10.395 1.744 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.568 -9.580 2.660 1.00 0.00 N ATOM 112 CD2 HIS A 11 -18.375 -10.793 2.333 1.00 0.00 C ATOM 113 CE1 HIS A 11 -17.320 -9.499 3.748 1.00 0.00 C ATOM 114 NE2 HIS A 11 -18.439 -10.252 3.544 1.00 0.00 N ATOM 0 H HIS A 11 -17.147 -7.996 -1.123 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.780 -8.780 0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.432 -11.084 -0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.906 -11.515 0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -19.119 -11.439 1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.088 -8.936 4.640 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -19.200 -10.379 4.212 1.00 0.00 H new ATOM 122 N VAL A 12 -13.598 -9.917 -0.073 1.00 0.00 N ATOM 123 CA VAL A 12 -12.257 -10.243 -0.525 1.00 0.00 C ATOM 124 C VAL A 12 -11.919 -11.678 -0.116 1.00 0.00 C ATOM 125 O VAL A 12 -12.275 -12.116 0.977 1.00 0.00 O ATOM 126 CB VAL A 12 -11.259 -9.217 0.015 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.847 -9.501 -0.501 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.694 -7.792 -0.333 1.00 0.00 C ATOM 0 H VAL A 12 -13.677 -9.731 0.927 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.198 -10.193 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.243 -9.306 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.157 -8.757 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.535 -10.495 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.841 -9.454 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.967 -7.083 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.754 -7.684 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.672 -7.593 0.106 1.00 0.00 H new ATOM 138 N PRO A 13 -11.218 -12.389 -1.039 1.00 0.00 N ATOM 139 CA PRO A 13 -10.829 -13.766 -0.786 1.00 0.00 C ATOM 140 C PRO A 13 -9.662 -13.832 0.202 1.00 0.00 C ATOM 141 O PRO A 13 -9.252 -12.812 0.754 1.00 0.00 O ATOM 142 CB PRO A 13 -10.484 -14.335 -2.152 1.00 0.00 C ATOM 143 CG PRO A 13 -10.245 -13.136 -3.055 1.00 0.00 C ATOM 144 CD PRO A 13 -10.780 -11.904 -2.344 1.00 0.00 C ATOM 0 HA PRO A 13 -11.622 -14.348 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.597 -14.967 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.295 -14.955 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.182 -13.023 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.748 -13.273 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.010 -11.139 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.605 -11.455 -2.897 1.00 0.00 H new ATOM 152 N ALA A 14 -9.160 -15.043 0.395 1.00 0.00 N ATOM 153 CA ALA A 14 -8.049 -15.256 1.306 1.00 0.00 C ATOM 154 C ALA A 14 -6.777 -15.526 0.499 1.00 0.00 C ATOM 155 O ALA A 14 -5.732 -15.838 1.067 1.00 0.00 O ATOM 156 CB ALA A 14 -8.385 -16.402 2.263 1.00 0.00 C ATOM 0 H ALA A 14 -9.503 -15.887 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.874 -14.366 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.551 -16.562 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.279 -16.149 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.565 -17.312 1.691 1.00 0.00 H new ATOM 162 N ASP A 15 -6.909 -15.395 -0.813 1.00 0.00 N ATOM 163 CA ASP A 15 -5.783 -15.621 -1.704 1.00 0.00 C ATOM 164 C ASP A 15 -5.280 -14.276 -2.233 1.00 0.00 C ATOM 165 O ASP A 15 -4.126 -14.159 -2.643 1.00 0.00 O ATOM 166 CB ASP A 15 -6.193 -16.477 -2.903 1.00 0.00 C ATOM 167 CG ASP A 15 -5.111 -17.428 -3.419 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.992 -18.525 -2.831 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.428 -17.037 -4.390 1.00 0.00 O ATOM 0 H ASP A 15 -7.778 -15.135 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.006 -16.138 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.070 -17.063 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.493 -15.816 -3.716 1.00 0.00 H new ATOM 174 N MET A 16 -6.171 -13.295 -2.207 1.00 0.00 N ATOM 175 CA MET A 16 -5.831 -11.964 -2.679 1.00 0.00 C ATOM 176 C MET A 16 -5.681 -10.989 -1.509 1.00 0.00 C ATOM 177 O MET A 16 -6.041 -11.311 -0.378 1.00 0.00 O ATOM 178 CB MET A 16 -6.925 -11.463 -3.624 1.00 0.00 C ATOM 179 CG MET A 16 -6.989 -12.318 -4.892 1.00 0.00 C ATOM 180 SD MET A 16 -7.337 -11.287 -6.306 1.00 0.00 S ATOM 181 CE MET A 16 -5.693 -10.697 -6.673 1.00 0.00 C ATOM 0 H MET A 16 -7.127 -13.396 -1.867 1.00 0.00 H new ATOM 0 HA MET A 16 -4.879 -12.018 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.889 -11.488 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.732 -10.424 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.043 -12.840 -5.036 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.761 -13.080 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.625 -9.636 -6.433 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.966 -11.251 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.482 -10.843 -7.732 1.00 0.00 H new ATOM 191 N ILE A 17 -5.148 -9.817 -1.822 1.00 0.00 N ATOM 192 CA ILE A 17 -4.946 -8.793 -0.811 1.00 0.00 C ATOM 193 C ILE A 17 -5.605 -7.491 -1.271 1.00 0.00 C ATOM 194 O ILE A 17 -5.286 -6.973 -2.340 1.00 0.00 O ATOM 195 CB ILE A 17 -3.458 -8.648 -0.486 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.877 -9.967 0.026 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.221 -7.498 0.495 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.536 -10.273 -0.645 1.00 0.00 C ATOM 0 H ILE A 17 -4.850 -9.554 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.427 -9.080 0.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.930 -8.400 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.743 -9.914 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.579 -10.778 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.155 -7.416 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.575 -6.566 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.763 -7.692 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.145 -11.216 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.678 -10.349 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.829 -9.472 -0.427 1.00 0.00 H new ATOM 210 N ASN A 18 -6.513 -7.000 -0.440 1.00 0.00 N ATOM 211 CA ASN A 18 -7.220 -5.768 -0.748 1.00 0.00 C ATOM 212 C ASN A 18 -6.331 -4.573 -0.396 1.00 0.00 C ATOM 213 O ASN A 18 -5.953 -4.396 0.761 1.00 0.00 O ATOM 214 CB ASN A 18 -8.509 -5.655 0.068 1.00 0.00 C ATOM 215 CG ASN A 18 -9.471 -4.646 -0.564 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.201 -4.056 -1.597 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.605 -4.484 0.111 1.00 0.00 N ATOM 0 H ASN A 18 -6.775 -7.433 0.446 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.465 -5.776 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.990 -6.631 0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.273 -5.349 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.313 -3.834 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.767 -5.010 0.970 1.00 0.00 H new ATOM 224 N LEU A 19 -6.023 -3.785 -1.415 1.00 0.00 N ATOM 225 CA LEU A 19 -5.186 -2.612 -1.228 1.00 0.00 C ATOM 226 C LEU A 19 -6.024 -1.352 -1.452 1.00 0.00 C ATOM 227 O LEU A 19 -6.684 -1.216 -2.481 1.00 0.00 O ATOM 228 CB LEU A 19 -3.945 -2.692 -2.119 1.00 0.00 C ATOM 229 CG LEU A 19 -2.777 -3.516 -1.571 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.042 -2.756 -0.465 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.250 -4.894 -1.103 1.00 0.00 C ATOM 0 H LEU A 19 -6.338 -3.936 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.813 -2.569 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.239 -3.111 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.592 -1.678 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.064 -3.678 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.217 -3.363 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.652 -1.820 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.733 -2.543 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.401 -5.459 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.994 -4.775 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.693 -5.431 -1.942 1.00 0.00 H new ATOM 243 N ARG A 20 -5.970 -0.462 -0.472 1.00 0.00 N ATOM 244 CA ARG A 20 -6.716 0.782 -0.550 1.00 0.00 C ATOM 245 C ARG A 20 -5.830 1.898 -1.108 1.00 0.00 C ATOM 246 O ARG A 20 -4.923 2.375 -0.427 1.00 0.00 O ATOM 247 CB ARG A 20 -7.239 1.197 0.827 1.00 0.00 C ATOM 248 CG ARG A 20 -8.497 2.058 0.698 1.00 0.00 C ATOM 249 CD ARG A 20 -9.240 2.147 2.033 1.00 0.00 C ATOM 250 NE ARG A 20 -10.630 1.666 1.872 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.526 1.612 2.866 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.184 2.009 4.100 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.766 1.162 2.628 1.00 0.00 N ATOM 0 H ARG A 20 -5.421 -0.578 0.380 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.564 0.619 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.461 0.309 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.467 1.751 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.224 3.058 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.155 1.635 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.725 1.550 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.242 3.177 2.389 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.924 1.356 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.241 2.352 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.867 1.968 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.028 0.860 1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.448 1.121 3.385 1.00 0.00 H new ATOM 267 N LEU A 21 -6.123 2.281 -2.342 1.00 0.00 N ATOM 268 CA LEU A 21 -5.365 3.332 -3.000 1.00 0.00 C ATOM 269 C LEU A 21 -5.971 4.691 -2.644 1.00 0.00 C ATOM 270 O LEU A 21 -7.097 4.993 -3.034 1.00 0.00 O ATOM 271 CB LEU A 21 -5.281 3.070 -4.505 1.00 0.00 C ATOM 272 CG LEU A 21 -4.330 1.952 -4.939 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.875 2.420 -4.889 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.555 0.688 -4.108 1.00 0.00 C ATOM 0 H LEU A 21 -6.875 1.882 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.335 3.339 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.280 2.831 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.974 3.993 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.551 1.699 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.220 1.607 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.743 3.270 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.623 2.717 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.867 -0.091 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.378 0.908 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.581 0.344 -4.239 1.00 0.00 H new ATOM 286 N ILE A 22 -5.196 5.474 -1.908 1.00 0.00 N ATOM 287 CA ILE A 22 -5.642 6.794 -1.496 1.00 0.00 C ATOM 288 C ILE A 22 -4.846 7.857 -2.256 1.00 0.00 C ATOM 289 O ILE A 22 -3.636 7.981 -2.072 1.00 0.00 O ATOM 290 CB ILE A 22 -5.562 6.936 0.025 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.181 5.723 0.722 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.197 8.249 0.487 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.687 5.609 2.166 1.00 0.00 C ATOM 0 H ILE A 22 -4.262 5.220 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.692 6.938 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.511 6.969 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.268 5.808 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.927 4.815 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.127 8.325 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.672 9.088 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.245 8.271 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.142 4.739 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.603 5.500 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.964 6.508 2.717 1.00 0.00 H new ATOM 305 N LEU A 23 -5.558 8.597 -3.094 1.00 0.00 N ATOM 306 CA LEU A 23 -4.933 9.646 -3.882 1.00 0.00 C ATOM 307 C LEU A 23 -5.330 11.010 -3.315 1.00 0.00 C ATOM 308 O LEU A 23 -6.070 11.087 -2.336 1.00 0.00 O ATOM 309 CB LEU A 23 -5.270 9.474 -5.364 1.00 0.00 C ATOM 310 CG LEU A 23 -4.124 9.729 -6.346 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.107 8.587 -6.311 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.658 9.978 -7.759 1.00 0.00 C ATOM 0 H LEU A 23 -6.561 8.491 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.847 9.577 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.635 8.458 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.090 10.148 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.602 10.634 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.303 8.794 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.693 8.499 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.599 7.653 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.824 10.156 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.219 9.106 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.313 10.849 -7.752 1.00 0.00 H new ATOM 324 N VAL A 24 -4.820 12.052 -3.954 1.00 0.00 N ATOM 325 CA VAL A 24 -5.112 13.409 -3.525 1.00 0.00 C ATOM 326 C VAL A 24 -6.614 13.547 -3.270 1.00 0.00 C ATOM 327 O VAL A 24 -7.387 12.646 -3.593 1.00 0.00 O ATOM 328 CB VAL A 24 -4.587 14.409 -4.558 1.00 0.00 C ATOM 329 CG1 VAL A 24 -5.697 14.839 -5.519 1.00 0.00 C ATOM 330 CG2 VAL A 24 -3.953 15.622 -3.874 1.00 0.00 C ATOM 0 H VAL A 24 -4.206 11.984 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.601 13.631 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.813 13.911 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.297 15.549 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.083 13.965 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.503 15.309 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.588 16.317 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.698 16.120 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.121 15.295 -3.251 1.00 0.00 H new ATOM 340 N SER A 25 -6.983 14.681 -2.693 1.00 0.00 N ATOM 341 CA SER A 25 -8.379 14.948 -2.391 1.00 0.00 C ATOM 342 C SER A 25 -8.818 14.126 -1.177 1.00 0.00 C ATOM 343 O SER A 25 -9.255 14.683 -0.171 1.00 0.00 O ATOM 344 CB SER A 25 -9.272 14.636 -3.593 1.00 0.00 C ATOM 345 OG SER A 25 -10.116 15.734 -3.930 1.00 0.00 O ATOM 0 H SER A 25 -6.339 15.426 -2.426 1.00 0.00 H new ATOM 0 HA SER A 25 -8.482 16.008 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.650 14.381 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.885 13.762 -3.372 1.00 0.00 H new ATOM 0 HG SER A 25 -10.669 15.496 -4.703 1.00 0.00 H new ATOM 351 N GLY A 26 -8.686 12.815 -1.311 1.00 0.00 N ATOM 352 CA GLY A 26 -9.064 11.911 -0.238 1.00 0.00 C ATOM 353 C GLY A 26 -9.699 10.635 -0.793 1.00 0.00 C ATOM 354 O GLY A 26 -9.351 9.531 -0.376 1.00 0.00 O ATOM 0 H GLY A 26 -8.322 12.357 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.185 11.656 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.766 12.409 0.431 1.00 0.00 H new ATOM 358 N LYS A 27 -10.619 10.828 -1.727 1.00 0.00 N ATOM 359 CA LYS A 27 -11.306 9.706 -2.344 1.00 0.00 C ATOM 360 C LYS A 27 -10.306 8.576 -2.594 1.00 0.00 C ATOM 361 O LYS A 27 -9.322 8.760 -3.309 1.00 0.00 O ATOM 362 CB LYS A 27 -12.049 10.160 -3.603 1.00 0.00 C ATOM 363 CG LYS A 27 -13.477 10.595 -3.270 1.00 0.00 C ATOM 364 CD LYS A 27 -14.485 9.510 -3.655 1.00 0.00 C ATOM 365 CE LYS A 27 -15.293 9.924 -4.886 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.735 9.671 -4.669 1.00 0.00 N ATOM 0 H LYS A 27 -10.905 11.745 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.071 9.312 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.512 10.987 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.073 9.347 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.557 10.809 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.712 11.519 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.960 8.576 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.159 9.322 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.131 10.981 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.948 9.369 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.269 9.958 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.887 8.658 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.064 10.220 -3.849 1.00 0.00 H new ATOM 380 N THR A 28 -10.592 7.432 -1.990 1.00 0.00 N ATOM 381 CA THR A 28 -9.729 6.272 -2.138 1.00 0.00 C ATOM 382 C THR A 28 -10.469 5.147 -2.865 1.00 0.00 C ATOM 383 O THR A 28 -11.697 5.142 -2.922 1.00 0.00 O ATOM 384 CB THR A 28 -9.231 5.872 -0.748 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.344 4.785 -0.996 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.336 5.262 0.117 1.00 0.00 C ATOM 0 H THR A 28 -11.409 7.283 -1.397 1.00 0.00 H new ATOM 0 HA THR A 28 -8.861 6.501 -2.756 1.00 0.00 H new ATOM 0 HB THR A 28 -8.818 6.747 -0.245 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.054 4.806 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.929 4.996 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.140 5.987 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.727 4.368 -0.369 1.00 0.00 H new ATOM 394 N LYS A 29 -9.689 4.221 -3.403 1.00 0.00 N ATOM 395 CA LYS A 29 -10.254 3.093 -4.124 1.00 0.00 C ATOM 396 C LYS A 29 -9.540 1.809 -3.696 1.00 0.00 C ATOM 397 O LYS A 29 -8.316 1.786 -3.577 1.00 0.00 O ATOM 398 CB LYS A 29 -10.212 3.346 -5.633 1.00 0.00 C ATOM 399 CG LYS A 29 -11.214 4.430 -6.035 1.00 0.00 C ATOM 400 CD LYS A 29 -11.856 4.110 -7.386 1.00 0.00 C ATOM 401 CE LYS A 29 -13.355 3.845 -7.233 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.024 3.877 -8.552 1.00 0.00 N ATOM 0 H LYS A 29 -8.670 4.229 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.308 2.971 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.207 3.648 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.436 2.422 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.988 4.516 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.710 5.395 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.699 4.941 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.372 3.238 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.513 2.875 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.797 4.594 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.041 3.695 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.889 4.812 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.613 3.146 -9.167 1.00 0.00 H new ATOM 416 N GLU A 30 -10.335 0.773 -3.476 1.00 0.00 N ATOM 417 CA GLU A 30 -9.795 -0.511 -3.063 1.00 0.00 C ATOM 418 C GLU A 30 -9.519 -1.389 -4.286 1.00 0.00 C ATOM 419 O GLU A 30 -10.341 -1.464 -5.198 1.00 0.00 O ATOM 420 CB GLU A 30 -10.737 -1.214 -2.085 1.00 0.00 C ATOM 421 CG GLU A 30 -12.174 -1.215 -2.612 1.00 0.00 C ATOM 422 CD GLU A 30 -12.827 -2.586 -2.422 1.00 0.00 C ATOM 423 OE1 GLU A 30 -12.561 -3.464 -3.272 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.577 -2.725 -1.432 1.00 0.00 O ATOM 0 H GLU A 30 -11.350 0.796 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.852 -0.336 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.403 -2.240 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.701 -0.714 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.757 -0.455 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.178 -0.950 -3.669 1.00 0.00 H new ATOM 431 N PHE A 31 -8.360 -2.030 -4.265 1.00 0.00 N ATOM 432 CA PHE A 31 -7.966 -2.900 -5.360 1.00 0.00 C ATOM 433 C PHE A 31 -7.628 -4.303 -4.852 1.00 0.00 C ATOM 434 O PHE A 31 -7.727 -4.575 -3.657 1.00 0.00 O ATOM 435 CB PHE A 31 -6.716 -2.284 -5.993 1.00 0.00 C ATOM 436 CG PHE A 31 -7.007 -1.114 -6.934 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.246 -1.345 -8.253 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.028 0.158 -6.452 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.516 -0.259 -9.127 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.298 1.244 -7.326 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.536 1.013 -8.645 1.00 0.00 C ATOM 0 H PHE A 31 -7.681 -1.964 -3.507 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.783 -2.990 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.051 -1.942 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.182 -3.057 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.230 -2.355 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.839 0.342 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.705 -0.443 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.314 2.254 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.741 1.839 -9.310 1.00 0.00 H new ATOM 451 N LEU A 32 -7.235 -5.156 -5.786 1.00 0.00 N ATOM 452 CA LEU A 32 -6.881 -6.525 -5.448 1.00 0.00 C ATOM 453 C LEU A 32 -5.510 -6.854 -6.042 1.00 0.00 C ATOM 454 O LEU A 32 -5.221 -6.495 -7.182 1.00 0.00 O ATOM 455 CB LEU A 32 -7.987 -7.487 -5.885 1.00 0.00 C ATOM 456 CG LEU A 32 -9.176 -7.619 -4.931 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.500 -7.605 -5.699 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.038 -8.863 -4.050 1.00 0.00 C ATOM 0 H LEU A 32 -7.154 -4.926 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.797 -6.641 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.360 -7.163 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.548 -8.475 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.179 -6.754 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.329 -7.700 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.594 -6.667 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.522 -8.438 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.896 -8.933 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.995 -9.752 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.124 -8.792 -3.461 1.00 0.00 H new ATOM 470 N PHE A 33 -4.702 -7.534 -5.242 1.00 0.00 N ATOM 471 CA PHE A 33 -3.369 -7.916 -5.674 1.00 0.00 C ATOM 472 C PHE A 33 -2.998 -9.304 -5.148 1.00 0.00 C ATOM 473 O PHE A 33 -3.737 -9.890 -4.357 1.00 0.00 O ATOM 474 CB PHE A 33 -2.398 -6.887 -5.090 1.00 0.00 C ATOM 475 CG PHE A 33 -2.571 -5.477 -5.657 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.358 -5.244 -6.980 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.938 -4.455 -4.838 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.519 -3.935 -7.506 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.099 -3.146 -5.363 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.886 -2.914 -6.686 1.00 0.00 C ATOM 0 H PHE A 33 -4.945 -7.830 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.325 -7.946 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.530 -6.851 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.377 -7.220 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.066 -6.055 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.107 -4.640 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.350 -3.750 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.390 -2.335 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.008 -1.918 -7.086 1.00 0.00 H new ATOM 490 N SER A 34 -1.855 -9.791 -5.608 1.00 0.00 N ATOM 491 CA SER A 34 -1.378 -11.100 -5.194 1.00 0.00 C ATOM 492 C SER A 34 -0.114 -10.951 -4.345 1.00 0.00 C ATOM 493 O SER A 34 0.549 -9.916 -4.388 1.00 0.00 O ATOM 494 CB SER A 34 -1.102 -11.993 -6.405 1.00 0.00 C ATOM 495 OG SER A 34 0.103 -12.739 -6.255 1.00 0.00 O ATOM 0 H SER A 34 -1.245 -9.303 -6.264 1.00 0.00 H new ATOM 0 HA SER A 34 -2.156 -11.575 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.937 -12.679 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.038 -11.377 -7.302 1.00 0.00 H new ATOM 0 HG SER A 34 0.243 -13.298 -7.048 1.00 0.00 H new ATOM 501 N PRO A 35 0.188 -12.029 -3.572 1.00 0.00 N ATOM 502 CA PRO A 35 1.361 -12.028 -2.714 1.00 0.00 C ATOM 503 C PRO A 35 2.640 -12.213 -3.533 1.00 0.00 C ATOM 504 O PRO A 35 3.743 -12.134 -2.994 1.00 0.00 O ATOM 505 CB PRO A 35 1.123 -13.155 -1.722 1.00 0.00 C ATOM 506 CG PRO A 35 0.055 -14.039 -2.345 1.00 0.00 C ATOM 507 CD PRO A 35 -0.574 -13.271 -3.495 1.00 0.00 C ATOM 0 HA PRO A 35 1.501 -11.080 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.039 -13.717 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.794 -12.765 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.492 -14.971 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.700 -14.304 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.511 -13.832 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.631 -13.077 -3.310 1.00 0.00 H new ATOM 515 N ASN A 36 2.450 -12.454 -4.822 1.00 0.00 N ATOM 516 CA ASN A 36 3.574 -12.651 -5.720 1.00 0.00 C ATOM 517 C ASN A 36 3.838 -11.355 -6.491 1.00 0.00 C ATOM 518 O ASN A 36 4.895 -11.196 -7.100 1.00 0.00 O ATOM 519 CB ASN A 36 3.280 -13.755 -6.738 1.00 0.00 C ATOM 520 CG ASN A 36 2.722 -15.001 -6.049 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.222 -15.457 -5.034 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.660 -15.525 -6.655 1.00 0.00 N ATOM 0 H ASN A 36 1.534 -12.517 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 36 4.439 -12.935 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.565 -13.393 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.193 -14.011 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.214 -16.359 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.292 -15.093 -7.502 1.00 0.00 H new ATOM 529 N ASP A 37 2.859 -10.464 -6.439 1.00 0.00 N ATOM 530 CA ASP A 37 2.973 -9.188 -7.124 1.00 0.00 C ATOM 531 C ASP A 37 3.936 -8.283 -6.353 1.00 0.00 C ATOM 532 O ASP A 37 4.232 -8.537 -5.187 1.00 0.00 O ATOM 533 CB ASP A 37 1.618 -8.481 -7.200 1.00 0.00 C ATOM 534 CG ASP A 37 0.676 -9.003 -8.286 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.203 -9.463 -9.322 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.551 -8.930 -8.057 1.00 0.00 O ATOM 0 H ASP A 37 1.984 -10.600 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 37 3.338 -9.379 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.122 -8.575 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.789 -7.418 -7.369 1.00 0.00 H new ATOM 541 N SER A 38 4.397 -7.245 -7.035 1.00 0.00 N ATOM 542 CA SER A 38 5.320 -6.301 -6.429 1.00 0.00 C ATOM 543 C SER A 38 4.702 -4.902 -6.412 1.00 0.00 C ATOM 544 O SER A 38 3.703 -4.653 -7.084 1.00 0.00 O ATOM 545 CB SER A 38 6.657 -6.282 -7.173 1.00 0.00 C ATOM 546 OG SER A 38 6.545 -5.669 -8.455 1.00 0.00 O ATOM 0 H SER A 38 4.148 -7.037 -8.002 1.00 0.00 H new ATOM 0 HA SER A 38 5.510 -6.619 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.396 -5.745 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.022 -7.303 -7.290 1.00 0.00 H new ATOM 0 HG SER A 38 7.419 -5.675 -8.898 1.00 0.00 H new ATOM 552 N ALA A 39 5.322 -4.025 -5.635 1.00 0.00 N ATOM 553 CA ALA A 39 4.844 -2.658 -5.521 1.00 0.00 C ATOM 554 C ALA A 39 4.657 -2.070 -6.921 1.00 0.00 C ATOM 555 O ALA A 39 3.633 -1.450 -7.206 1.00 0.00 O ATOM 556 CB ALA A 39 5.824 -1.844 -4.674 1.00 0.00 C ATOM 0 H ALA A 39 6.151 -4.235 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 39 3.877 -2.630 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.466 -0.818 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.900 -2.286 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.805 -1.847 -5.149 1.00 0.00 H new ATOM 562 N SER A 40 5.661 -2.284 -7.758 1.00 0.00 N ATOM 563 CA SER A 40 5.620 -1.783 -9.121 1.00 0.00 C ATOM 564 C SER A 40 4.277 -2.131 -9.766 1.00 0.00 C ATOM 565 O SER A 40 3.565 -1.247 -10.242 1.00 0.00 O ATOM 566 CB SER A 40 6.771 -2.353 -9.953 1.00 0.00 C ATOM 567 OG SER A 40 6.898 -1.695 -11.211 1.00 0.00 O ATOM 0 H SER A 40 6.509 -2.798 -7.518 1.00 0.00 H new ATOM 0 HA SER A 40 5.732 -0.699 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.703 -2.255 -9.397 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.608 -3.418 -10.116 1.00 0.00 H new ATOM 0 HG SER A 40 7.644 -2.086 -11.711 1.00 0.00 H new ATOM 573 N ASP A 41 3.970 -3.420 -9.760 1.00 0.00 N ATOM 574 CA ASP A 41 2.725 -3.895 -10.339 1.00 0.00 C ATOM 575 C ASP A 41 1.558 -3.094 -9.756 1.00 0.00 C ATOM 576 O ASP A 41 0.686 -2.636 -10.492 1.00 0.00 O ATOM 577 CB ASP A 41 2.494 -5.372 -10.012 1.00 0.00 C ATOM 578 CG ASP A 41 1.514 -6.094 -10.940 1.00 0.00 C ATOM 579 OD1 ASP A 41 0.311 -5.762 -10.863 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.990 -6.961 -11.704 1.00 0.00 O ATOM 0 H ASP A 41 4.562 -4.150 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 41 2.786 -3.770 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.452 -5.890 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.126 -5.449 -8.989 1.00 0.00 H new ATOM 585 N ILE A 42 1.580 -2.951 -8.439 1.00 0.00 N ATOM 586 CA ILE A 42 0.536 -2.213 -7.749 1.00 0.00 C ATOM 587 C ILE A 42 0.416 -0.816 -8.359 1.00 0.00 C ATOM 588 O ILE A 42 -0.552 -0.521 -9.059 1.00 0.00 O ATOM 589 CB ILE A 42 0.792 -2.206 -6.241 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.794 -3.629 -5.678 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.212 -1.306 -5.518 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.248 -3.640 -4.217 1.00 0.00 C ATOM 0 H ILE A 42 2.304 -3.334 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.428 -2.703 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 42 1.784 -1.789 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.206 -4.056 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.456 -4.258 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.007 -1.319 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.122 -0.286 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.223 -1.670 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.240 -4.663 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.258 -3.235 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.570 -3.029 -3.621 1.00 0.00 H new ATOM 604 N ALA A 43 1.413 0.008 -8.072 1.00 0.00 N ATOM 605 CA ALA A 43 1.432 1.368 -8.584 1.00 0.00 C ATOM 606 C ALA A 43 1.026 1.359 -10.059 1.00 0.00 C ATOM 607 O ALA A 43 0.035 1.981 -10.438 1.00 0.00 O ATOM 608 CB ALA A 43 2.818 1.977 -8.364 1.00 0.00 C ATOM 0 H ALA A 43 2.214 -0.240 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 43 0.714 1.990 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.832 2.997 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.046 1.987 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.565 1.381 -8.889 1.00 0.00 H new ATOM 614 N LYS A 44 1.812 0.646 -10.852 1.00 0.00 N ATOM 615 CA LYS A 44 1.547 0.547 -12.277 1.00 0.00 C ATOM 616 C LYS A 44 0.062 0.252 -12.496 1.00 0.00 C ATOM 617 O LYS A 44 -0.665 1.081 -13.042 1.00 0.00 O ATOM 618 CB LYS A 44 2.480 -0.478 -12.926 1.00 0.00 C ATOM 619 CG LYS A 44 3.868 0.119 -13.167 1.00 0.00 C ATOM 620 CD LYS A 44 3.864 1.037 -14.391 1.00 0.00 C ATOM 621 CE LYS A 44 4.344 2.443 -14.024 1.00 0.00 C ATOM 622 NZ LYS A 44 3.217 3.401 -14.060 1.00 0.00 N ATOM 0 H LYS A 44 2.633 0.131 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 44 1.760 1.495 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.564 -1.356 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.055 -0.814 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.184 0.680 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.593 -0.682 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.508 0.620 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.858 1.089 -14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.789 2.434 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.122 2.761 -14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.582 4.360 -14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.562 3.137 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.715 3.380 -13.150 1.00 0.00 H new ATOM 636 N HIS A 45 -0.345 -0.930 -12.058 1.00 0.00 N ATOM 637 CA HIS A 45 -1.730 -1.344 -12.199 1.00 0.00 C ATOM 638 C HIS A 45 -2.653 -0.158 -11.912 1.00 0.00 C ATOM 639 O HIS A 45 -3.338 0.332 -12.809 1.00 0.00 O ATOM 640 CB HIS A 45 -2.029 -2.555 -11.312 1.00 0.00 C ATOM 641 CG HIS A 45 -3.500 -2.862 -11.167 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.208 -3.597 -12.101 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.387 -2.527 -10.187 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.465 -3.693 -11.692 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.574 -3.029 -10.506 1.00 0.00 N ATOM 0 H HIS A 45 0.261 -1.614 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.914 -1.663 -13.225 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.525 -3.429 -11.726 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.605 -2.381 -10.323 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.827 -3.997 -12.959 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.162 -1.951 -9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.263 -4.207 -12.208 1.00 0.00 H new ATOM 653 N VAL A 46 -2.640 0.270 -10.659 1.00 0.00 N ATOM 654 CA VAL A 46 -3.467 1.390 -10.242 1.00 0.00 C ATOM 655 C VAL A 46 -3.276 2.551 -11.221 1.00 0.00 C ATOM 656 O VAL A 46 -4.207 2.929 -11.930 1.00 0.00 O ATOM 657 CB VAL A 46 -3.145 1.769 -8.795 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.907 3.028 -8.375 1.00 0.00 C ATOM 659 CG2 VAL A 46 -3.441 0.606 -7.846 1.00 0.00 C ATOM 0 H VAL A 46 -2.070 -0.138 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.522 1.115 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.079 1.988 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.660 3.275 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.625 3.857 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.979 2.849 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.204 0.901 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.497 0.342 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.834 -0.255 -8.125 1.00 0.00 H new ATOM 669 N TYR A 47 -2.063 3.084 -11.227 1.00 0.00 N ATOM 670 CA TYR A 47 -1.738 4.194 -12.106 1.00 0.00 C ATOM 671 C TYR A 47 -2.333 3.982 -13.500 1.00 0.00 C ATOM 672 O TYR A 47 -2.785 4.933 -14.136 1.00 0.00 O ATOM 673 CB TYR A 47 -0.212 4.214 -12.214 1.00 0.00 C ATOM 674 CG TYR A 47 0.355 5.515 -12.786 1.00 0.00 C ATOM 675 CD1 TYR A 47 0.002 5.921 -14.057 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.219 6.282 -12.032 1.00 0.00 C ATOM 677 CE1 TYR A 47 0.535 7.145 -14.596 1.00 0.00 C ATOM 678 CE2 TYR A 47 1.753 7.506 -12.571 1.00 0.00 C ATOM 679 CZ TYR A 47 1.384 7.877 -13.826 1.00 0.00 C ATOM 680 OH TYR A 47 1.888 9.034 -14.335 1.00 0.00 O ATOM 0 H TYR A 47 -1.293 2.768 -10.637 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.142 5.127 -11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.214 4.048 -11.225 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.108 3.383 -12.842 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.674 5.320 -14.647 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.495 5.964 -11.037 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.267 7.474 -15.589 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.431 8.115 -11.992 1.00 0.00 H new ATOM 0 HH TYR A 47 2.479 9.452 -13.674 1.00 0.00 H new ATOM 690 N ASP A 48 -2.313 2.730 -13.932 1.00 0.00 N ATOM 691 CA ASP A 48 -2.845 2.382 -15.239 1.00 0.00 C ATOM 692 C ASP A 48 -4.374 2.432 -15.192 1.00 0.00 C ATOM 693 O ASP A 48 -5.008 2.996 -16.083 1.00 0.00 O ATOM 694 CB ASP A 48 -2.431 0.965 -15.642 1.00 0.00 C ATOM 695 CG ASP A 48 -1.213 0.886 -16.565 1.00 0.00 C ATOM 696 OD1 ASP A 48 -1.030 1.844 -17.346 1.00 0.00 O ATOM 697 OD2 ASP A 48 -0.493 -0.132 -16.468 1.00 0.00 O ATOM 0 H ASP A 48 -1.937 1.944 -13.401 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.451 3.094 -15.964 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.221 0.393 -14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.274 0.483 -16.136 1.00 0.00 H new ATOM 702 N ASN A 49 -4.922 1.834 -14.144 1.00 0.00 N ATOM 703 CA ASN A 49 -6.364 1.803 -13.970 1.00 0.00 C ATOM 704 C ASN A 49 -6.867 3.216 -13.665 1.00 0.00 C ATOM 705 O ASN A 49 -6.936 3.617 -12.505 1.00 0.00 O ATOM 706 CB ASN A 49 -6.759 0.899 -12.800 1.00 0.00 C ATOM 707 CG ASN A 49 -5.884 -0.356 -12.759 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.308 -0.709 -11.743 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.818 -1.008 -13.916 1.00 0.00 N ATOM 0 H ASN A 49 -4.393 1.367 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.806 1.418 -14.889 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.660 1.447 -11.863 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.807 0.614 -12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.260 -1.859 -13.991 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.325 -0.658 -14.729 1.00 0.00 H new ATOM 716 N TRP A 50 -7.204 3.932 -14.728 1.00 0.00 N ATOM 717 CA TRP A 50 -7.698 5.291 -14.589 1.00 0.00 C ATOM 718 C TRP A 50 -7.692 5.940 -15.975 1.00 0.00 C ATOM 719 O TRP A 50 -6.677 6.487 -16.403 1.00 0.00 O ATOM 720 CB TRP A 50 -6.877 6.070 -13.560 1.00 0.00 C ATOM 721 CG TRP A 50 -7.521 6.139 -12.174 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.819 6.275 -11.872 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.838 6.068 -10.904 1.00 0.00 C ATOM 724 NE1 TRP A 50 -9.023 6.297 -10.508 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.779 6.167 -9.900 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.469 5.925 -10.614 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.454 6.135 -8.539 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.161 5.894 -9.249 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.097 5.993 -8.226 1.00 0.00 C ATOM 0 H TRP A 50 -7.145 3.596 -15.689 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.719 5.294 -14.208 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.894 5.608 -13.470 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.720 7.084 -13.928 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.608 6.357 -12.605 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.921 6.391 -10.033 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.715 5.845 -11.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.210 6.216 -7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.123 5.786 -8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.779 5.961 -7.194 1.00 0.00 H new ATOM 740 N PRO A 51 -8.867 5.857 -16.654 1.00 0.00 N ATOM 741 CA PRO A 51 -9.006 6.430 -17.982 1.00 0.00 C ATOM 742 C PRO A 51 -9.114 7.955 -17.913 1.00 0.00 C ATOM 743 O PRO A 51 -10.160 8.521 -18.225 1.00 0.00 O ATOM 744 CB PRO A 51 -10.246 5.773 -18.566 1.00 0.00 C ATOM 745 CG PRO A 51 -11.016 5.210 -17.383 1.00 0.00 C ATOM 746 CD PRO A 51 -10.090 5.218 -16.177 1.00 0.00 C ATOM 0 HA PRO A 51 -8.137 6.243 -18.613 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.849 6.496 -19.116 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.976 4.984 -19.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.905 5.810 -17.186 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.356 4.197 -17.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.527 5.771 -15.345 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.895 4.207 -15.820 1.00 0.00 H new ATOM 754 N MET A 52 -8.019 8.576 -17.501 1.00 0.00 N ATOM 755 CA MET A 52 -7.977 10.024 -17.386 1.00 0.00 C ATOM 756 C MET A 52 -6.592 10.562 -17.748 1.00 0.00 C ATOM 757 O MET A 52 -5.578 10.043 -17.283 1.00 0.00 O ATOM 758 CB MET A 52 -8.326 10.433 -15.954 1.00 0.00 C ATOM 759 CG MET A 52 -9.113 11.745 -15.935 1.00 0.00 C ATOM 760 SD MET A 52 -9.349 12.291 -14.252 1.00 0.00 S ATOM 761 CE MET A 52 -10.281 13.786 -14.540 1.00 0.00 C ATOM 0 H MET A 52 -7.153 8.103 -17.242 1.00 0.00 H new ATOM 0 HA MET A 52 -8.703 10.446 -18.081 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.913 9.646 -15.480 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.412 10.545 -15.371 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.579 12.507 -16.502 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.079 11.606 -16.420 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.515 14.259 -13.586 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.691 14.471 -15.149 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.207 13.543 -15.061 1.00 0.00 H new ATOM 771 N ASP A 53 -6.592 11.598 -18.575 1.00 0.00 N ATOM 772 CA ASP A 53 -5.348 12.213 -19.005 1.00 0.00 C ATOM 773 C ASP A 53 -4.396 12.315 -17.812 1.00 0.00 C ATOM 774 O ASP A 53 -3.237 11.911 -17.901 1.00 0.00 O ATOM 775 CB ASP A 53 -5.588 13.626 -19.540 1.00 0.00 C ATOM 776 CG ASP A 53 -6.759 13.758 -20.515 1.00 0.00 C ATOM 777 OD1 ASP A 53 -7.138 12.715 -21.092 1.00 0.00 O ATOM 778 OD2 ASP A 53 -7.250 14.898 -20.662 1.00 0.00 O ATOM 0 H ASP A 53 -7.434 12.027 -18.958 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.922 11.595 -19.796 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.761 14.293 -18.696 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.681 13.969 -20.037 1.00 0.00 H new ATOM 783 N TRP A 54 -4.919 12.857 -16.722 1.00 0.00 N ATOM 784 CA TRP A 54 -4.130 13.017 -15.512 1.00 0.00 C ATOM 785 C TRP A 54 -3.105 14.125 -15.760 1.00 0.00 C ATOM 786 O TRP A 54 -3.125 15.155 -15.087 1.00 0.00 O ATOM 787 CB TRP A 54 -3.489 11.691 -15.097 1.00 0.00 C ATOM 788 CG TRP A 54 -4.124 11.053 -13.860 1.00 0.00 C ATOM 789 CD1 TRP A 54 -5.418 11.040 -13.511 1.00 0.00 C ATOM 790 CD2 TRP A 54 -3.438 10.330 -12.817 1.00 0.00 C ATOM 791 NE1 TRP A 54 -5.615 10.365 -12.324 1.00 0.00 N ATOM 792 CE2 TRP A 54 -4.372 9.920 -11.888 1.00 0.00 C ATOM 793 CE3 TRP A 54 -2.072 10.034 -12.662 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -4.042 9.189 -10.740 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -1.759 9.303 -11.510 1.00 0.00 C ATOM 796 CH2 TRP A 54 -2.688 8.882 -10.566 1.00 0.00 C ATOM 0 H TRP A 54 -5.880 13.191 -16.651 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.763 13.309 -14.674 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.556 10.991 -15.929 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.429 11.856 -14.904 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.207 11.500 -14.087 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.508 10.219 -11.853 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.324 10.346 -13.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.792 8.879 -10.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.723 9.048 -11.343 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.366 8.320 -9.702 1.00 0.00 H new ATOM 807 N GLU A 55 -2.234 13.877 -16.726 1.00 0.00 N ATOM 808 CA GLU A 55 -1.203 14.841 -17.071 1.00 0.00 C ATOM 809 C GLU A 55 -0.061 14.784 -16.054 1.00 0.00 C ATOM 810 O GLU A 55 -0.060 13.935 -15.163 1.00 0.00 O ATOM 811 CB GLU A 55 -1.783 16.254 -17.164 1.00 0.00 C ATOM 812 CG GLU A 55 -1.469 16.887 -18.521 1.00 0.00 C ATOM 813 CD GLU A 55 -1.939 18.342 -18.569 1.00 0.00 C ATOM 814 OE1 GLU A 55 -3.148 18.540 -18.818 1.00 0.00 O ATOM 815 OE2 GLU A 55 -1.079 19.224 -18.357 1.00 0.00 O ATOM 0 H GLU A 55 -2.221 13.022 -17.281 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.804 14.581 -18.052 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.862 16.218 -17.016 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.372 16.873 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.396 16.841 -18.708 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.955 16.318 -19.313 1.00 0.00 H new ATOM 822 N GLU A 56 0.883 15.698 -16.220 1.00 0.00 N ATOM 823 CA GLU A 56 2.028 15.761 -15.328 1.00 0.00 C ATOM 824 C GLU A 56 2.802 14.442 -15.362 1.00 0.00 C ATOM 825 O GLU A 56 2.368 13.449 -14.779 1.00 0.00 O ATOM 826 CB GLU A 56 1.594 16.106 -13.902 1.00 0.00 C ATOM 827 CG GLU A 56 1.735 17.606 -13.634 1.00 0.00 C ATOM 828 CD GLU A 56 0.364 18.280 -13.553 1.00 0.00 C ATOM 829 OE1 GLU A 56 -0.159 18.634 -14.632 1.00 0.00 O ATOM 830 OE2 GLU A 56 -0.131 18.425 -12.415 1.00 0.00 O ATOM 0 H GLU A 56 0.879 16.401 -16.959 1.00 0.00 H new ATOM 0 HA GLU A 56 2.689 16.556 -15.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.559 15.801 -13.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.199 15.547 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.277 17.763 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.324 18.067 -14.427 1.00 0.00 H new ATOM 837 N GLU A 57 3.933 14.473 -16.050 1.00 0.00 N ATOM 838 CA GLU A 57 4.771 13.291 -16.167 1.00 0.00 C ATOM 839 C GLU A 57 4.162 12.306 -17.167 1.00 0.00 C ATOM 840 O GLU A 57 2.966 12.363 -17.450 1.00 0.00 O ATOM 841 CB GLU A 57 4.980 12.630 -14.803 1.00 0.00 C ATOM 842 CG GLU A 57 6.470 12.453 -14.503 1.00 0.00 C ATOM 843 CD GLU A 57 6.760 12.680 -13.018 1.00 0.00 C ATOM 844 OE1 GLU A 57 6.847 13.865 -12.631 1.00 0.00 O ATOM 845 OE2 GLU A 57 6.889 11.662 -12.303 1.00 0.00 O ATOM 0 H GLU A 57 4.289 15.298 -16.533 1.00 0.00 H new ATOM 0 HA GLU A 57 5.749 13.597 -16.539 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.518 13.238 -14.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.484 11.660 -14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.786 11.450 -14.790 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.051 13.154 -15.102 1.00 0.00 H new ATOM 852 N GLN A 58 5.012 11.425 -17.673 1.00 0.00 N ATOM 853 CA GLN A 58 4.573 10.429 -18.635 1.00 0.00 C ATOM 854 C GLN A 58 5.675 9.394 -18.869 1.00 0.00 C ATOM 855 O GLN A 58 6.078 9.157 -20.007 1.00 0.00 O ATOM 856 CB GLN A 58 4.149 11.085 -19.951 1.00 0.00 C ATOM 857 CG GLN A 58 3.293 10.134 -20.788 1.00 0.00 C ATOM 858 CD GLN A 58 1.951 9.859 -20.105 1.00 0.00 C ATOM 859 OE1 GLN A 58 1.014 10.636 -20.185 1.00 0.00 O ATOM 860 NE2 GLN A 58 1.912 8.713 -19.432 1.00 0.00 N ATOM 0 H GLN A 58 6.003 11.380 -17.435 1.00 0.00 H new ATOM 0 HA GLN A 58 3.702 9.918 -18.225 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.588 11.996 -19.743 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.033 11.377 -20.517 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.122 10.566 -21.774 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.827 9.196 -20.939 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.733 8.109 -19.406 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.061 8.438 -18.942 1.00 0.00 H new ATOM 869 N VAL A 59 6.132 8.806 -17.773 1.00 0.00 N ATOM 870 CA VAL A 59 7.180 7.802 -17.844 1.00 0.00 C ATOM 871 C VAL A 59 6.835 6.642 -16.908 1.00 0.00 C ATOM 872 O VAL A 59 5.845 6.702 -16.180 1.00 0.00 O ATOM 873 CB VAL A 59 8.536 8.438 -17.533 1.00 0.00 C ATOM 874 CG1 VAL A 59 9.229 8.908 -18.814 1.00 0.00 C ATOM 875 CG2 VAL A 59 8.386 9.590 -16.537 1.00 0.00 C ATOM 0 H VAL A 59 5.796 9.006 -16.831 1.00 0.00 H new ATOM 0 HA VAL A 59 7.250 7.395 -18.853 1.00 0.00 H new ATOM 0 HB VAL A 59 9.165 7.676 -17.072 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.191 9.356 -18.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.387 8.056 -19.476 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.604 9.647 -19.316 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.365 10.025 -16.333 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.731 10.353 -16.959 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.955 9.215 -15.609 1.00 0.00 H new ATOM 885 N SER A 60 7.669 5.614 -16.958 1.00 0.00 N ATOM 886 CA SER A 60 7.464 4.443 -16.123 1.00 0.00 C ATOM 887 C SER A 60 8.766 4.076 -15.407 1.00 0.00 C ATOM 888 O SER A 60 9.005 2.908 -15.106 1.00 0.00 O ATOM 889 CB SER A 60 6.962 3.258 -16.950 1.00 0.00 C ATOM 890 OG SER A 60 5.544 3.269 -17.092 1.00 0.00 O ATOM 0 H SER A 60 8.488 5.568 -17.564 1.00 0.00 H new ATOM 0 HA SER A 60 6.703 4.682 -15.380 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.425 3.282 -17.936 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.272 2.327 -16.475 1.00 0.00 H new ATOM 0 HG SER A 60 5.263 2.498 -17.627 1.00 0.00 H new ATOM 896 N SER A 61 9.573 5.097 -15.155 1.00 0.00 N ATOM 897 CA SER A 61 10.844 4.896 -14.480 1.00 0.00 C ATOM 898 C SER A 61 10.605 4.439 -13.040 1.00 0.00 C ATOM 899 O SER A 61 9.605 4.806 -12.425 1.00 0.00 O ATOM 900 CB SER A 61 11.685 6.175 -14.498 1.00 0.00 C ATOM 901 OG SER A 61 12.902 6.002 -15.218 1.00 0.00 O ATOM 0 H SER A 61 9.371 6.065 -15.406 1.00 0.00 H new ATOM 0 HA SER A 61 11.396 4.122 -15.013 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.108 6.982 -14.949 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.909 6.477 -13.475 1.00 0.00 H new ATOM 0 HG SER A 61 13.653 6.316 -14.672 1.00 0.00 H new ATOM 907 N PRO A 62 11.565 3.621 -12.530 1.00 0.00 N ATOM 908 CA PRO A 62 11.469 3.110 -11.173 1.00 0.00 C ATOM 909 C PRO A 62 11.804 4.198 -10.152 1.00 0.00 C ATOM 910 O PRO A 62 11.558 4.031 -8.958 1.00 0.00 O ATOM 911 CB PRO A 62 12.433 1.935 -11.127 1.00 0.00 C ATOM 912 CG PRO A 62 13.371 2.119 -12.309 1.00 0.00 C ATOM 913 CD PRO A 62 12.763 3.165 -13.228 1.00 0.00 C ATOM 0 HA PRO A 62 10.459 2.791 -10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.986 1.920 -10.188 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.898 0.988 -11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.356 2.437 -11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.506 1.177 -12.840 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.456 3.988 -13.404 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.517 2.741 -14.202 1.00 0.00 H new ATOM 921 N ASN A 63 12.360 5.289 -10.658 1.00 0.00 N ATOM 922 CA ASN A 63 12.731 6.405 -9.804 1.00 0.00 C ATOM 923 C ASN A 63 11.465 7.046 -9.232 1.00 0.00 C ATOM 924 O ASN A 63 11.381 7.298 -8.030 1.00 0.00 O ATOM 925 CB ASN A 63 13.487 7.475 -10.594 1.00 0.00 C ATOM 926 CG ASN A 63 14.473 6.838 -11.575 1.00 0.00 C ATOM 927 OD1 ASN A 63 14.602 7.245 -12.718 1.00 0.00 O ATOM 928 ND2 ASN A 63 15.159 5.818 -11.067 1.00 0.00 N ATOM 0 H ASN A 63 12.563 5.424 -11.649 1.00 0.00 H new ATOM 0 HA ASN A 63 13.372 6.023 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.778 8.099 -11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 63 14.024 8.129 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.842 5.326 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.002 5.528 -10.102 1.00 0.00 H new ATOM 935 N ILE A 64 10.512 7.292 -10.118 1.00 0.00 N ATOM 936 CA ILE A 64 9.254 7.900 -9.716 1.00 0.00 C ATOM 937 C ILE A 64 8.241 6.799 -9.397 1.00 0.00 C ATOM 938 O ILE A 64 7.143 6.781 -9.952 1.00 0.00 O ATOM 939 CB ILE A 64 8.773 8.889 -10.779 1.00 0.00 C ATOM 940 CG1 ILE A 64 8.798 8.254 -12.171 1.00 0.00 C ATOM 941 CG2 ILE A 64 9.583 10.187 -10.727 1.00 0.00 C ATOM 942 CD1 ILE A 64 7.516 8.574 -12.943 1.00 0.00 C ATOM 0 H ILE A 64 10.585 7.082 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 64 9.387 8.486 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 64 7.737 9.147 -10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.662 8.620 -12.726 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.912 7.174 -12.080 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.221 10.873 -11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.470 10.647 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.635 9.967 -10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.560 8.111 -13.929 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.656 8.186 -12.397 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.418 9.654 -13.054 1.00 0.00 H new ATOM 954 N LEU A 65 8.645 5.908 -8.504 1.00 0.00 N ATOM 955 CA LEU A 65 7.785 4.806 -8.104 1.00 0.00 C ATOM 956 C LEU A 65 7.966 4.541 -6.608 1.00 0.00 C ATOM 957 O LEU A 65 8.723 3.654 -6.218 1.00 0.00 O ATOM 958 CB LEU A 65 8.043 3.580 -8.982 1.00 0.00 C ATOM 959 CG LEU A 65 7.059 3.360 -10.133 1.00 0.00 C ATOM 960 CD1 LEU A 65 7.607 2.342 -11.135 1.00 0.00 C ATOM 961 CD2 LEU A 65 5.679 2.962 -9.607 1.00 0.00 C ATOM 0 H LEU A 65 9.556 5.926 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 65 6.737 5.064 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.047 3.661 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.032 2.694 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 65 6.939 4.304 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.889 2.204 -11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.549 2.706 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.774 1.390 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.999 2.812 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.760 2.037 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.293 3.753 -8.964 1.00 0.00 H new ATOM 973 N ARG A 66 7.257 5.327 -5.811 1.00 0.00 N ATOM 974 CA ARG A 66 7.330 5.188 -4.366 1.00 0.00 C ATOM 975 C ARG A 66 5.925 5.060 -3.774 1.00 0.00 C ATOM 976 O ARG A 66 5.091 5.948 -3.947 1.00 0.00 O ATOM 977 CB ARG A 66 8.036 6.389 -3.732 1.00 0.00 C ATOM 978 CG ARG A 66 9.553 6.189 -3.719 1.00 0.00 C ATOM 979 CD ARG A 66 10.091 6.172 -2.287 1.00 0.00 C ATOM 980 NE ARG A 66 11.389 6.879 -2.226 1.00 0.00 N ATOM 981 CZ ARG A 66 11.516 8.204 -2.068 1.00 0.00 C ATOM 982 NH1 ARG A 66 10.425 8.973 -1.955 1.00 0.00 N ATOM 983 NH2 ARG A 66 12.735 8.760 -2.024 1.00 0.00 N ATOM 0 H ARG A 66 6.630 6.062 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 66 7.904 4.287 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.790 7.295 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.676 6.531 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.804 5.252 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.034 6.989 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.376 6.648 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.211 5.143 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 66 12.240 6.324 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.497 8.550 -1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.522 9.981 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.566 8.175 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.832 9.768 -1.904 1.00 0.00 H new ATOM 997 N LEU A 67 5.706 3.948 -3.087 1.00 0.00 N ATOM 998 CA LEU A 67 4.416 3.693 -2.469 1.00 0.00 C ATOM 999 C LEU A 67 4.551 3.815 -0.950 1.00 0.00 C ATOM 1000 O LEU A 67 5.449 3.222 -0.353 1.00 0.00 O ATOM 1001 CB LEU A 67 3.858 2.345 -2.930 1.00 0.00 C ATOM 1002 CG LEU A 67 3.269 1.452 -1.836 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.931 2.003 -1.340 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.152 0.004 -2.314 1.00 0.00 C ATOM 0 H LEU A 67 6.400 3.214 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 67 3.687 4.439 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.085 2.530 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.656 1.796 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 67 3.953 1.456 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.534 1.350 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.078 3.003 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.226 2.049 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.731 -0.609 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.502 -0.039 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.140 -0.373 -2.578 1.00 0.00 H new ATOM 1016 N ILE A 68 3.645 4.586 -0.367 1.00 0.00 N ATOM 1017 CA ILE A 68 3.652 4.793 1.071 1.00 0.00 C ATOM 1018 C ILE A 68 2.696 3.797 1.730 1.00 0.00 C ATOM 1019 O ILE A 68 1.588 3.579 1.242 1.00 0.00 O ATOM 1020 CB ILE A 68 3.343 6.254 1.404 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.503 7.166 0.998 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.977 6.415 2.881 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.184 7.917 -0.296 1.00 0.00 C ATOM 0 H ILE A 68 2.901 5.075 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 68 4.645 4.600 1.478 1.00 0.00 H new ATOM 0 HB ILE A 68 2.474 6.560 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.705 7.880 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.407 6.572 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.762 7.463 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.097 5.812 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.811 6.085 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.025 8.558 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.006 7.201 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.293 8.529 -0.152 1.00 0.00 H new ATOM 1035 N TYR A 69 3.158 3.219 2.829 1.00 0.00 N ATOM 1036 CA TYR A 69 2.357 2.251 3.559 1.00 0.00 C ATOM 1037 C TYR A 69 2.410 2.521 5.065 1.00 0.00 C ATOM 1038 O TYR A 69 3.428 2.272 5.708 1.00 0.00 O ATOM 1039 CB TYR A 69 2.985 0.885 3.276 1.00 0.00 C ATOM 1040 CG TYR A 69 2.351 -0.266 4.060 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.984 -0.299 4.252 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.145 -1.269 4.575 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.388 -1.382 4.990 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.548 -2.352 5.313 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.199 -2.355 5.484 1.00 0.00 C ATOM 1046 OH TYR A 69 0.636 -3.378 6.181 1.00 0.00 O ATOM 0 H TYR A 69 4.077 3.402 3.232 1.00 0.00 H new ATOM 0 HA TYR A 69 1.313 2.304 3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.904 0.673 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.048 0.929 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.362 0.487 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.214 -1.242 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.680 -1.421 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.158 -3.144 5.721 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.272 -3.539 5.850 1.00 0.00 H new ATOM 1056 N GLN A 70 1.300 3.027 5.582 1.00 0.00 N ATOM 1057 CA GLN A 70 1.207 3.333 6.999 1.00 0.00 C ATOM 1058 C GLN A 70 2.215 4.421 7.375 1.00 0.00 C ATOM 1059 O GLN A 70 2.782 4.397 8.466 1.00 0.00 O ATOM 1060 CB GLN A 70 1.417 2.076 7.847 1.00 0.00 C ATOM 1061 CG GLN A 70 0.094 1.342 8.075 1.00 0.00 C ATOM 1062 CD GLN A 70 -0.184 1.165 9.569 1.00 0.00 C ATOM 1063 OE1 GLN A 70 -0.638 2.067 10.253 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.112 -0.045 10.035 1.00 0.00 N ATOM 0 H GLN A 70 0.458 3.233 5.045 1.00 0.00 H new ATOM 0 HA GLN A 70 0.204 3.707 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.125 1.412 7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.856 2.349 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.720 1.901 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.127 0.367 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.489 -0.755 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.039 -0.263 11.020 1.00 0.00 H new ATOM 1073 N GLY A 71 2.407 5.350 6.449 1.00 0.00 N ATOM 1074 CA GLY A 71 3.336 6.445 6.669 1.00 0.00 C ATOM 1075 C GLY A 71 4.707 6.129 6.069 1.00 0.00 C ATOM 1076 O GLY A 71 5.373 7.015 5.534 1.00 0.00 O ATOM 0 H GLY A 71 1.935 5.366 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.941 7.357 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.437 6.632 7.738 1.00 0.00 H new ATOM 1080 N ARG A 72 5.088 4.865 6.176 1.00 0.00 N ATOM 1081 CA ARG A 72 6.368 4.422 5.650 1.00 0.00 C ATOM 1082 C ARG A 72 6.280 4.226 4.136 1.00 0.00 C ATOM 1083 O ARG A 72 5.222 4.424 3.541 1.00 0.00 O ATOM 1084 CB ARG A 72 6.807 3.110 6.303 1.00 0.00 C ATOM 1085 CG ARG A 72 7.520 3.370 7.632 1.00 0.00 C ATOM 1086 CD ARG A 72 7.896 2.055 8.319 1.00 0.00 C ATOM 1087 NE ARG A 72 8.687 2.331 9.539 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.035 1.397 10.435 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.665 0.122 10.252 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.754 1.738 11.513 1.00 0.00 N ATOM 0 H ARG A 72 4.533 4.133 6.619 1.00 0.00 H new ATOM 0 HA ARG A 72 7.105 5.192 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.937 2.475 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.472 2.569 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.418 3.963 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.874 3.955 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.995 1.499 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.471 1.430 7.636 1.00 0.00 H new ATOM 0 HE ARG A 72 8.986 3.291 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.119 -0.138 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.930 -0.589 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.036 2.708 11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.019 1.027 12.195 1.00 0.00 H new ATOM 1104 N PHE A 73 7.406 3.838 3.555 1.00 0.00 N ATOM 1105 CA PHE A 73 7.470 3.613 2.121 1.00 0.00 C ATOM 1106 C PHE A 73 7.861 2.167 1.810 1.00 0.00 C ATOM 1107 O PHE A 73 8.610 1.547 2.563 1.00 0.00 O ATOM 1108 CB PHE A 73 8.546 4.549 1.568 1.00 0.00 C ATOM 1109 CG PHE A 73 8.171 6.032 1.629 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.203 6.693 2.817 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.807 6.688 0.495 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.856 8.069 2.874 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.459 8.064 0.552 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.491 8.725 1.740 1.00 0.00 C ATOM 0 H PHE A 73 8.282 3.674 4.052 1.00 0.00 H new ATOM 0 HA PHE A 73 6.495 3.803 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.469 4.395 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.751 4.279 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.492 6.171 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.782 6.163 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.882 8.594 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.169 8.585 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.226 9.771 1.783 1.00 0.00 H new ATOM 1124 N LEU A 74 7.335 1.671 0.699 1.00 0.00 N ATOM 1125 CA LEU A 74 7.620 0.310 0.279 1.00 0.00 C ATOM 1126 C LEU A 74 8.527 0.339 -0.953 1.00 0.00 C ATOM 1127 O LEU A 74 8.441 1.255 -1.770 1.00 0.00 O ATOM 1128 CB LEU A 74 6.320 -0.469 0.067 1.00 0.00 C ATOM 1129 CG LEU A 74 5.501 -0.763 1.325 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.232 -1.545 0.983 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.350 -1.480 2.376 1.00 0.00 C ATOM 0 H LEU A 74 6.713 2.188 0.077 1.00 0.00 H new ATOM 0 HA LEU A 74 8.161 -0.224 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.694 0.091 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.562 -1.416 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 74 5.187 0.187 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.668 -1.741 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.619 -0.962 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.503 -2.491 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.744 -1.677 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.714 -2.423 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.197 -0.851 2.650 1.00 0.00 H new ATOM 1143 N HIS A 75 9.376 -0.673 -1.047 1.00 0.00 N ATOM 1144 CA HIS A 75 10.299 -0.774 -2.166 1.00 0.00 C ATOM 1145 C HIS A 75 9.538 -1.209 -3.420 1.00 0.00 C ATOM 1146 O HIS A 75 8.433 -1.742 -3.327 1.00 0.00 O ATOM 1147 CB HIS A 75 11.464 -1.706 -1.826 1.00 0.00 C ATOM 1148 CG HIS A 75 12.816 -1.171 -2.231 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.489 -1.607 -3.359 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.614 -0.230 -1.648 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.638 -0.953 -3.441 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.714 -0.101 -2.379 1.00 0.00 N ATOM 0 H HIS A 75 9.445 -1.430 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 75 10.738 0.202 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.465 -1.893 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.303 -2.666 -2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.388 0.317 -0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.383 -1.073 -4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.489 0.531 -2.179 1.00 0.00 H new ATOM 1160 N GLY A 76 10.160 -0.965 -4.564 1.00 0.00 N ATOM 1161 CA GLY A 76 9.556 -1.324 -5.836 1.00 0.00 C ATOM 1162 C GLY A 76 9.669 -2.828 -6.091 1.00 0.00 C ATOM 1163 O GLY A 76 8.846 -3.404 -6.801 1.00 0.00 O ATOM 0 H GLY A 76 11.076 -0.523 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.507 -1.028 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.045 -0.777 -6.642 1.00 0.00 H new ATOM 1167 N ASN A 77 10.695 -3.421 -5.499 1.00 0.00 N ATOM 1168 CA ASN A 77 10.927 -4.847 -5.653 1.00 0.00 C ATOM 1169 C ASN A 77 10.086 -5.610 -4.627 1.00 0.00 C ATOM 1170 O ASN A 77 9.725 -6.764 -4.851 1.00 0.00 O ATOM 1171 CB ASN A 77 12.397 -5.195 -5.413 1.00 0.00 C ATOM 1172 CG ASN A 77 13.005 -5.881 -6.638 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.644 -5.616 -7.773 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.947 -6.774 -6.346 1.00 0.00 N ATOM 0 H ASN A 77 11.376 -2.939 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 77 10.652 -5.125 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.957 -4.288 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.483 -5.849 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.415 -7.285 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.201 -6.948 -5.374 1.00 0.00 H new ATOM 1181 N VAL A 78 9.799 -4.934 -3.525 1.00 0.00 N ATOM 1182 CA VAL A 78 9.007 -5.534 -2.464 1.00 0.00 C ATOM 1183 C VAL A 78 7.761 -6.184 -3.068 1.00 0.00 C ATOM 1184 O VAL A 78 7.243 -5.717 -4.081 1.00 0.00 O ATOM 1185 CB VAL A 78 8.678 -4.485 -1.400 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.451 -4.898 -0.584 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.881 -4.230 -0.490 1.00 0.00 C ATOM 0 H VAL A 78 10.100 -3.977 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 78 9.573 -6.320 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 78 8.442 -3.552 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.239 -4.135 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.592 -5.005 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.647 -5.849 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.620 -3.480 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.163 -5.157 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.719 -3.870 -1.087 1.00 0.00 H new ATOM 1197 N THR A 79 7.317 -7.251 -2.422 1.00 0.00 N ATOM 1198 CA THR A 79 6.141 -7.970 -2.883 1.00 0.00 C ATOM 1199 C THR A 79 5.258 -8.363 -1.697 1.00 0.00 C ATOM 1200 O THR A 79 5.760 -8.790 -0.659 1.00 0.00 O ATOM 1201 CB THR A 79 6.614 -9.166 -3.712 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.735 -9.668 -2.990 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.197 -8.749 -5.063 1.00 0.00 C ATOM 0 H THR A 79 7.750 -7.636 -1.583 1.00 0.00 H new ATOM 0 HA THR A 79 5.516 -7.342 -3.519 1.00 0.00 H new ATOM 0 HB THR A 79 5.779 -9.848 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.103 -10.447 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.517 -9.636 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.438 -8.221 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.053 -8.093 -4.903 1.00 0.00 H new ATOM 1211 N LEU A 80 3.957 -8.205 -1.892 1.00 0.00 N ATOM 1212 CA LEU A 80 2.998 -8.538 -0.852 1.00 0.00 C ATOM 1213 C LEU A 80 3.439 -9.825 -0.152 1.00 0.00 C ATOM 1214 O LEU A 80 3.268 -9.968 1.058 1.00 0.00 O ATOM 1215 CB LEU A 80 1.583 -8.606 -1.430 1.00 0.00 C ATOM 1216 CG LEU A 80 0.900 -7.262 -1.691 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.397 -7.450 -2.479 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.671 -6.500 -0.383 1.00 0.00 C ATOM 0 H LEU A 80 3.544 -7.851 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 80 2.970 -7.755 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.621 -9.160 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.959 -9.181 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 80 1.565 -6.655 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.862 -6.479 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.176 -7.921 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.079 -8.084 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.184 -5.548 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.037 -7.092 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.629 -6.316 0.104 1.00 0.00 H new ATOM 1230 N GLY A 81 3.997 -10.730 -0.943 1.00 0.00 N ATOM 1231 CA GLY A 81 4.463 -12.001 -0.414 1.00 0.00 C ATOM 1232 C GLY A 81 5.448 -11.787 0.737 1.00 0.00 C ATOM 1233 O GLY A 81 5.223 -12.265 1.848 1.00 0.00 O ATOM 0 H GLY A 81 4.137 -10.608 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.613 -12.588 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.943 -12.575 -1.207 1.00 0.00 H new ATOM 1237 N ALA A 82 6.519 -11.069 0.432 1.00 0.00 N ATOM 1238 CA ALA A 82 7.539 -10.786 1.427 1.00 0.00 C ATOM 1239 C ALA A 82 6.919 -9.985 2.573 1.00 0.00 C ATOM 1240 O ALA A 82 7.413 -10.022 3.699 1.00 0.00 O ATOM 1241 CB ALA A 82 8.707 -10.051 0.766 1.00 0.00 C ATOM 0 H ALA A 82 6.702 -10.675 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 82 7.933 -11.711 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.472 -9.839 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.131 -10.675 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.351 -9.115 0.335 1.00 0.00 H new ATOM 1247 N LEU A 83 5.846 -9.279 2.247 1.00 0.00 N ATOM 1248 CA LEU A 83 5.153 -8.470 3.235 1.00 0.00 C ATOM 1249 C LEU A 83 4.280 -9.375 4.107 1.00 0.00 C ATOM 1250 O LEU A 83 3.658 -8.911 5.061 1.00 0.00 O ATOM 1251 CB LEU A 83 4.381 -7.339 2.555 1.00 0.00 C ATOM 1252 CG LEU A 83 5.228 -6.259 1.879 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.344 -5.174 1.262 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.254 -5.677 2.854 1.00 0.00 C ATOM 0 H LEU A 83 5.440 -9.251 1.312 1.00 0.00 H new ATOM 0 HA LEU A 83 5.868 -7.982 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.720 -7.776 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.746 -6.861 3.300 1.00 0.00 H new ATOM 0 HG LEU A 83 5.784 -6.722 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.972 -4.419 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.687 -5.621 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.742 -4.708 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.843 -4.912 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.737 -5.234 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.914 -6.471 3.204 1.00 0.00 H new ATOM 1266 N LYS A 84 4.260 -10.650 3.747 1.00 0.00 N ATOM 1267 CA LYS A 84 3.472 -11.623 4.484 1.00 0.00 C ATOM 1268 C LYS A 84 2.224 -10.941 5.048 1.00 0.00 C ATOM 1269 O LYS A 84 1.877 -11.139 6.211 1.00 0.00 O ATOM 1270 CB LYS A 84 4.330 -12.312 5.547 1.00 0.00 C ATOM 1271 CG LYS A 84 5.096 -11.285 6.384 1.00 0.00 C ATOM 1272 CD LYS A 84 4.193 -10.668 7.454 1.00 0.00 C ATOM 1273 CE LYS A 84 5.023 -10.039 8.575 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.154 -9.650 9.708 1.00 0.00 N ATOM 0 H LYS A 84 4.777 -11.032 2.955 1.00 0.00 H new ATOM 0 HA LYS A 84 3.129 -12.417 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.696 -12.915 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.033 -12.992 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.953 -11.763 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.487 -10.500 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.552 -9.911 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.537 -11.434 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.780 -10.746 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.551 -9.164 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.733 -9.225 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.448 -8.959 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.669 -10.492 10.079 1.00 0.00 H new ATOM 1288 N LEU A 85 1.584 -10.153 4.197 1.00 0.00 N ATOM 1289 CA LEU A 85 0.382 -9.441 4.596 1.00 0.00 C ATOM 1290 C LEU A 85 -0.763 -10.440 4.770 1.00 0.00 C ATOM 1291 O LEU A 85 -0.786 -11.483 4.119 1.00 0.00 O ATOM 1292 CB LEU A 85 0.072 -8.316 3.607 1.00 0.00 C ATOM 1293 CG LEU A 85 0.115 -6.895 4.172 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.270 -6.733 5.162 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.175 -5.859 3.047 1.00 0.00 C ATOM 0 H LEU A 85 1.875 -9.992 3.233 1.00 0.00 H new ATOM 0 HA LEU A 85 0.530 -8.954 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.781 -8.379 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.920 -8.490 3.189 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.809 -6.719 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.278 -5.714 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.143 -7.433 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.214 -6.936 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.205 -4.857 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.071 -6.024 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.708 -5.957 2.415 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.711 -10.076 5.676 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.856 -10.929 5.944 1.00 0.00 C ATOM 1309 C PRO A 86 -3.872 -10.858 4.801 1.00 0.00 C ATOM 1310 O PRO A 86 -4.261 -9.770 4.379 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.416 -10.432 7.267 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.852 -9.034 7.459 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.716 -8.848 6.466 1.00 0.00 C ATOM 0 HA PRO A 86 -2.588 -11.983 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.506 -10.414 7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.122 -11.088 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.627 -8.285 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.492 -8.905 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.879 -7.973 5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.764 -8.701 6.976 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.271 -12.031 4.334 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.234 -12.116 3.248 1.00 0.00 C ATOM 1323 C PHE A 87 -6.639 -11.750 3.732 1.00 0.00 C ATOM 1324 O PHE A 87 -6.861 -11.574 4.929 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.236 -13.567 2.764 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.897 -14.033 2.188 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.111 -13.159 1.503 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.493 -15.320 2.361 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.868 -13.591 0.968 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.250 -15.752 1.826 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.464 -14.878 1.141 1.00 0.00 C ATOM 0 H PHE A 87 -3.946 -12.931 4.687 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.960 -11.423 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.508 -14.216 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.008 -13.684 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.432 -12.137 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.117 -16.013 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.244 -12.898 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.929 -16.774 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.519 -15.206 0.734 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.550 -11.647 2.776 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.928 -11.305 3.089 1.00 0.00 C ATOM 1343 C GLY A 88 -8.992 -10.138 4.076 1.00 0.00 C ATOM 1344 O GLY A 88 -9.840 -10.120 4.967 1.00 0.00 O ATOM 0 H GLY A 88 -7.362 -11.794 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.458 -11.041 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.435 -12.172 3.512 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.085 -9.191 3.884 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.028 -8.023 4.746 1.00 0.00 C ATOM 1350 C LYS A 89 -7.949 -6.762 3.883 1.00 0.00 C ATOM 1351 O LYS A 89 -7.925 -6.845 2.656 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.883 -8.154 5.751 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.306 -8.993 6.959 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.333 -8.146 8.232 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.735 -8.912 9.414 1.00 0.00 C ATOM 1356 NZ LYS A 89 -5.600 -8.162 9.996 1.00 0.00 N ATOM 0 H LYS A 89 -7.384 -9.209 3.144 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.937 -7.945 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.021 -8.615 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.571 -7.164 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.293 -9.421 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.615 -9.827 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.774 -7.224 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.360 -7.860 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.499 -9.074 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.399 -9.895 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.206 -8.695 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.865 -8.029 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.931 -7.234 10.328 1.00 0.00 H new ATOM 1370 N THR A 90 -7.909 -5.623 4.559 1.00 0.00 N ATOM 1371 CA THR A 90 -7.833 -4.346 3.870 1.00 0.00 C ATOM 1372 C THR A 90 -6.622 -3.548 4.359 1.00 0.00 C ATOM 1373 O THR A 90 -6.489 -3.283 5.553 1.00 0.00 O ATOM 1374 CB THR A 90 -9.163 -3.618 4.075 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.105 -4.408 3.355 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.201 -2.259 3.372 1.00 0.00 C ATOM 0 H THR A 90 -7.928 -5.558 5.577 1.00 0.00 H new ATOM 0 HA THR A 90 -7.683 -4.483 2.799 1.00 0.00 H new ATOM 0 HB THR A 90 -9.341 -3.480 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.996 -4.009 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.166 -1.785 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.407 -1.624 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.057 -2.399 2.301 1.00 0.00 H new ATOM 1384 N THR A 91 -5.770 -3.188 3.411 1.00 0.00 N ATOM 1385 CA THR A 91 -4.574 -2.426 3.729 1.00 0.00 C ATOM 1386 C THR A 91 -4.728 -0.975 3.268 1.00 0.00 C ATOM 1387 O THR A 91 -5.453 -0.697 2.314 1.00 0.00 O ATOM 1388 CB THR A 91 -3.376 -3.140 3.100 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.048 -4.161 4.039 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.126 -2.259 3.055 1.00 0.00 C ATOM 0 H THR A 91 -5.884 -3.410 2.422 1.00 0.00 H new ATOM 0 HA THR A 91 -4.412 -2.377 4.806 1.00 0.00 H new ATOM 0 HB THR A 91 -3.633 -3.457 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.281 -4.675 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.306 -2.814 2.600 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.331 -1.366 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.849 -1.969 4.068 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.033 -0.089 3.966 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.083 1.326 3.640 1.00 0.00 C ATOM 1400 C VAL A 92 -2.722 1.769 3.101 1.00 0.00 C ATOM 1401 O VAL A 92 -1.697 1.563 3.749 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.532 2.129 4.863 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.440 3.633 4.595 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.948 1.734 5.289 1.00 0.00 C ATOM 0 H VAL A 92 -3.432 -0.324 4.756 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.819 1.512 2.858 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.857 1.893 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.765 4.181 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.409 3.899 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.081 3.892 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.243 2.319 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.641 1.927 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.970 0.674 5.540 1.00 0.00 H new ATOM 1414 N MET A 93 -2.756 2.369 1.920 1.00 0.00 N ATOM 1415 CA MET A 93 -1.537 2.843 1.287 1.00 0.00 C ATOM 1416 C MET A 93 -1.803 4.104 0.461 1.00 0.00 C ATOM 1417 O MET A 93 -2.900 4.287 -0.064 1.00 0.00 O ATOM 1418 CB MET A 93 -0.974 1.748 0.379 1.00 0.00 C ATOM 1419 CG MET A 93 -0.240 0.683 1.196 1.00 0.00 C ATOM 1420 SD MET A 93 0.108 -0.738 0.173 1.00 0.00 S ATOM 1421 CE MET A 93 1.048 -1.726 1.325 1.00 0.00 C ATOM 0 H MET A 93 -3.608 2.538 1.385 1.00 0.00 H new ATOM 0 HA MET A 93 -0.816 3.087 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.784 1.285 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.292 2.188 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.689 1.093 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.847 0.386 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.423 -2.616 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.887 -1.143 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.408 -2.023 2.156 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.780 4.942 0.373 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.889 6.180 -0.379 1.00 0.00 C ATOM 1433 C HIS A 94 -0.057 6.078 -1.659 1.00 0.00 C ATOM 1434 O HIS A 94 0.816 5.219 -1.769 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.498 7.378 0.488 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.526 7.742 1.532 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.674 9.027 2.023 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.456 6.976 2.172 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.650 9.024 2.919 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.133 7.751 3.010 1.00 0.00 N ATOM 0 H HIS A 94 0.128 4.787 0.810 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.926 6.341 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.448 7.161 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.329 8.240 -0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.614 5.918 2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.001 9.878 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.890 7.445 3.622 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.358 6.966 -2.595 1.00 0.00 N ATOM 1449 CA LEU A 95 0.351 6.987 -3.863 1.00 0.00 C ATOM 1450 C LEU A 95 0.866 8.402 -4.131 1.00 0.00 C ATOM 1451 O LEU A 95 0.233 9.382 -3.740 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.535 6.432 -4.981 1.00 0.00 C ATOM 1453 CG LEU A 95 0.190 5.683 -6.102 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.808 5.005 -7.042 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.146 6.612 -6.853 1.00 0.00 C ATOM 0 H LEU A 95 -1.084 7.677 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 95 1.222 6.333 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.268 5.759 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.089 7.260 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 95 0.794 4.895 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.267 4.480 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.412 4.293 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.457 5.758 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.648 6.055 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.583 7.436 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.889 7.007 -6.160 1.00 0.00 H new ATOM 1467 N VAL A 96 2.010 8.465 -4.797 1.00 0.00 N ATOM 1468 CA VAL A 96 2.617 9.744 -5.122 1.00 0.00 C ATOM 1469 C VAL A 96 3.551 9.570 -6.322 1.00 0.00 C ATOM 1470 O VAL A 96 4.038 8.471 -6.579 1.00 0.00 O ATOM 1471 CB VAL A 96 3.325 10.315 -3.892 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.321 10.642 -2.784 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.405 9.357 -3.386 1.00 0.00 C ATOM 0 H VAL A 96 2.532 7.651 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 96 1.853 10.468 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 96 3.813 11.244 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.850 11.046 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.605 11.378 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.792 9.734 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.892 9.788 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.949 8.405 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.144 9.195 -4.170 1.00 0.00 H new ATOM 1483 N ALA A 97 3.772 10.672 -7.023 1.00 0.00 N ATOM 1484 CA ALA A 97 4.639 10.655 -8.190 1.00 0.00 C ATOM 1485 C ALA A 97 5.656 11.792 -8.080 1.00 0.00 C ATOM 1486 O ALA A 97 5.308 12.960 -8.247 1.00 0.00 O ATOM 1487 CB ALA A 97 3.789 10.753 -9.458 1.00 0.00 C ATOM 0 H ALA A 97 3.366 11.582 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 97 5.195 9.719 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.438 10.740 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.103 9.907 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.219 11.682 -9.443 1.00 0.00 H new ATOM 1493 N ARG A 98 6.894 11.411 -7.799 1.00 0.00 N ATOM 1494 CA ARG A 98 7.964 12.385 -7.665 1.00 0.00 C ATOM 1495 C ARG A 98 9.292 11.678 -7.382 1.00 0.00 C ATOM 1496 O ARG A 98 9.313 10.613 -6.768 1.00 0.00 O ATOM 1497 CB ARG A 98 7.671 13.374 -6.536 1.00 0.00 C ATOM 1498 CG ARG A 98 8.522 14.637 -6.678 1.00 0.00 C ATOM 1499 CD ARG A 98 8.090 15.455 -7.897 1.00 0.00 C ATOM 1500 NE ARG A 98 7.337 16.653 -7.462 1.00 0.00 N ATOM 1501 CZ ARG A 98 6.558 17.385 -8.270 1.00 0.00 C ATOM 1502 NH1 ARG A 98 6.426 17.047 -9.560 1.00 0.00 N ATOM 1503 NH2 ARG A 98 5.912 18.455 -7.789 1.00 0.00 N ATOM 0 H ARG A 98 7.180 10.442 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 98 8.032 12.934 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.614 13.640 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.871 12.903 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.431 15.244 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.573 14.363 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.966 15.755 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.470 14.845 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 98 7.416 16.939 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.918 16.233 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.833 17.604 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.013 18.713 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.319 19.012 -8.404 1.00 0.00 H new ATOM 1517 N GLU A 99 10.367 12.300 -7.844 1.00 0.00 N ATOM 1518 CA GLU A 99 11.695 11.744 -7.649 1.00 0.00 C ATOM 1519 C GLU A 99 12.636 12.807 -7.079 1.00 0.00 C ATOM 1520 O GLU A 99 12.830 13.860 -7.685 1.00 0.00 O ATOM 1521 CB GLU A 99 12.245 11.167 -8.955 1.00 0.00 C ATOM 1522 CG GLU A 99 11.993 12.121 -10.125 1.00 0.00 C ATOM 1523 CD GLU A 99 12.762 11.675 -11.370 1.00 0.00 C ATOM 1524 OE1 GLU A 99 14.007 11.784 -11.337 1.00 0.00 O ATOM 1525 OE2 GLU A 99 12.088 11.237 -12.327 1.00 0.00 O ATOM 0 H GLU A 99 10.345 13.184 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 99 11.624 10.927 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.315 10.984 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.775 10.205 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.926 12.158 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.296 13.131 -9.848 1.00 0.00 H new ATOM 1532 N THR A 100 13.198 12.494 -5.920 1.00 0.00 N ATOM 1533 CA THR A 100 14.114 13.409 -5.262 1.00 0.00 C ATOM 1534 C THR A 100 15.266 12.637 -4.615 1.00 0.00 C ATOM 1535 O THR A 100 15.258 11.407 -4.593 1.00 0.00 O ATOM 1536 CB THR A 100 13.311 14.249 -4.267 1.00 0.00 C ATOM 1537 OG1 THR A 100 13.043 13.352 -3.192 1.00 0.00 O ATOM 1538 CG2 THR A 100 11.925 14.619 -4.798 1.00 0.00 C ATOM 0 H THR A 100 13.036 11.620 -5.420 1.00 0.00 H new ATOM 0 HA THR A 100 14.580 14.086 -5.979 1.00 0.00 H new ATOM 0 HB THR A 100 13.864 15.158 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.527 13.816 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.397 15.215 -4.053 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.030 15.196 -5.717 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.359 13.710 -5.003 1.00 0.00 H new ATOM 1546 N LEU A 101 16.228 13.391 -4.104 1.00 0.00 N ATOM 1547 CA LEU A 101 17.384 12.792 -3.458 1.00 0.00 C ATOM 1548 C LEU A 101 16.915 11.711 -2.482 1.00 0.00 C ATOM 1549 O LEU A 101 15.780 11.746 -2.011 1.00 0.00 O ATOM 1550 CB LEU A 101 18.253 13.871 -2.809 1.00 0.00 C ATOM 1551 CG LEU A 101 18.692 15.018 -3.722 1.00 0.00 C ATOM 1552 CD1 LEU A 101 18.538 16.368 -3.019 1.00 0.00 C ATOM 1553 CD2 LEU A 101 20.118 14.798 -4.232 1.00 0.00 C ATOM 0 H LEU A 101 16.231 14.411 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 101 18.021 12.302 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.705 14.293 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 101 19.145 13.395 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 101 18.036 15.031 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 101 18.857 17.166 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 101 17.494 16.519 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 101 19.154 16.382 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 20.405 15.627 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 101 20.803 14.744 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 101 20.163 13.866 -4.796 1.00 0.00 H new ATOM 1565 N PRO A 102 17.837 10.752 -2.201 1.00 0.00 N ATOM 1566 CA PRO A 102 17.529 9.662 -1.290 1.00 0.00 C ATOM 1567 C PRO A 102 17.536 10.143 0.162 1.00 0.00 C ATOM 1568 O PRO A 102 16.637 9.814 0.933 1.00 0.00 O ATOM 1569 CB PRO A 102 18.585 8.605 -1.571 1.00 0.00 C ATOM 1570 CG PRO A 102 19.714 9.324 -2.292 1.00 0.00 C ATOM 1571 CD PRO A 102 19.192 10.679 -2.741 1.00 0.00 C ATOM 0 HA PRO A 102 16.529 9.257 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.939 8.151 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.179 7.801 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.573 9.445 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.051 8.742 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.814 11.489 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 102 19.190 10.762 -3.828 1.00 0.00 H new ATOM 1579 N GLU A 103 18.562 10.916 0.491 1.00 0.00 N ATOM 1580 CA GLU A 103 18.698 11.446 1.837 1.00 0.00 C ATOM 1581 C GLU A 103 19.366 12.821 1.801 1.00 0.00 C ATOM 1582 O GLU A 103 20.117 13.127 0.876 1.00 0.00 O ATOM 1583 CB GLU A 103 19.479 10.480 2.730 1.00 0.00 C ATOM 1584 CG GLU A 103 20.960 10.454 2.347 1.00 0.00 C ATOM 1585 CD GLU A 103 21.601 9.118 2.726 1.00 0.00 C ATOM 1586 OE1 GLU A 103 20.876 8.102 2.665 1.00 0.00 O ATOM 1587 OE2 GLU A 103 22.803 9.143 3.068 1.00 0.00 O ATOM 0 H GLU A 103 19.306 11.187 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 103 17.702 11.559 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.375 10.779 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.059 9.478 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.065 10.621 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.483 11.268 2.849 1.00 0.00 H new ATOM 1594 N PRO A 104 19.062 13.636 2.847 1.00 0.00 N ATOM 1595 CA PRO A 104 19.624 14.972 2.943 1.00 0.00 C ATOM 1596 C PRO A 104 21.093 14.919 3.367 1.00 0.00 C ATOM 1597 O PRO A 104 21.910 15.707 2.892 1.00 0.00 O ATOM 1598 CB PRO A 104 18.743 15.699 3.945 1.00 0.00 C ATOM 1599 CG PRO A 104 18.008 14.615 4.718 1.00 0.00 C ATOM 1600 CD PRO A 104 18.177 13.308 3.961 1.00 0.00 C ATOM 0 HA PRO A 104 19.631 15.495 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.341 16.318 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.041 16.362 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.410 14.526 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.952 14.866 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.610 12.536 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 104 17.218 12.929 3.607 1.00 0.00 H new ATOM 1608 N ASN A 105 21.385 13.982 4.258 1.00 0.00 N ATOM 1609 CA ASN A 105 22.742 13.816 4.752 1.00 0.00 C ATOM 1610 C ASN A 105 23.111 12.331 4.727 1.00 0.00 C ATOM 1611 O ASN A 105 22.250 11.471 4.905 1.00 0.00 O ATOM 1612 CB ASN A 105 22.867 14.310 6.194 1.00 0.00 C ATOM 1613 CG ASN A 105 24.233 13.948 6.781 1.00 0.00 C ATOM 1614 OD1 ASN A 105 25.227 14.624 6.570 1.00 0.00 O ATOM 1615 ND2 ASN A 105 24.227 12.847 7.526 1.00 0.00 N ATOM 0 H ASN A 105 20.705 13.330 4.650 1.00 0.00 H new ATOM 0 HA ASN A 105 23.407 14.397 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 105 22.729 15.391 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 105 22.077 13.870 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 105 25.090 12.521 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 105 23.360 12.328 7.662 1.00 0.00 H new ATOM 1622 N SER A 106 24.392 12.076 4.504 1.00 0.00 N ATOM 1623 CA SER A 106 24.885 10.710 4.453 1.00 0.00 C ATOM 1624 C SER A 106 25.966 10.505 5.516 1.00 0.00 C ATOM 1625 O SER A 106 27.157 10.544 5.211 1.00 0.00 O ATOM 1626 CB SER A 106 25.434 10.374 3.066 1.00 0.00 C ATOM 1627 OG SER A 106 25.979 9.059 3.012 1.00 0.00 O ATOM 0 H SER A 106 25.103 12.792 4.357 1.00 0.00 H new ATOM 0 HA SER A 106 24.052 10.037 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.637 10.467 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 106 26.204 11.097 2.796 1.00 0.00 H new ATOM 0 HG SER A 106 26.318 8.882 2.110 1.00 0.00 H new ATOM 1633 N GLN A 107 25.513 10.290 6.742 1.00 0.00 N ATOM 1634 CA GLN A 107 26.427 10.078 7.852 1.00 0.00 C ATOM 1635 C GLN A 107 25.645 9.817 9.141 1.00 0.00 C ATOM 1636 O GLN A 107 24.529 10.308 9.305 1.00 0.00 O ATOM 1637 CB GLN A 107 27.374 11.268 8.017 1.00 0.00 C ATOM 1638 CG GLN A 107 28.816 10.870 7.697 1.00 0.00 C ATOM 1639 CD GLN A 107 29.495 11.925 6.820 1.00 0.00 C ATOM 1640 OE1 GLN A 107 29.169 13.100 6.854 1.00 0.00 O ATOM 1641 NE2 GLN A 107 30.454 11.441 6.036 1.00 0.00 N ATOM 0 H GLN A 107 24.525 10.258 6.992 1.00 0.00 H new ATOM 0 HA GLN A 107 27.035 9.200 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 107 27.062 12.079 7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 107 27.315 11.645 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.377 10.746 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 107 28.826 9.907 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.676 10.446 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 107 30.967 12.065 5.413 1.00 0.00 H new ATOM 1650 N GLY A 108 26.262 9.043 10.023 1.00 0.00 N ATOM 1651 CA GLY A 108 25.638 8.711 11.292 1.00 0.00 C ATOM 1652 C GLY A 108 26.650 8.784 12.436 1.00 0.00 C ATOM 1653 O GLY A 108 27.734 9.343 12.277 1.00 0.00 O ATOM 0 H GLY A 108 27.187 8.637 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 108 24.814 9.397 11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.213 7.709 11.241 1.00 0.00 H new ATOM 1657 N GLN A 109 26.261 8.210 13.566 1.00 0.00 N ATOM 1658 CA GLN A 109 27.121 8.203 14.737 1.00 0.00 C ATOM 1659 C GLN A 109 27.796 6.838 14.891 1.00 0.00 C ATOM 1660 O GLN A 109 27.191 5.807 14.606 1.00 0.00 O ATOM 1661 CB GLN A 109 26.336 8.572 15.996 1.00 0.00 C ATOM 1662 CG GLN A 109 27.230 9.288 17.010 1.00 0.00 C ATOM 1663 CD GLN A 109 26.465 9.586 18.302 1.00 0.00 C ATOM 1664 OE1 GLN A 109 25.785 8.741 18.860 1.00 0.00 O ATOM 1665 NE2 GLN A 109 26.614 10.832 18.744 1.00 0.00 N ATOM 0 H GLN A 109 25.362 7.747 13.695 1.00 0.00 H new ATOM 0 HA GLN A 109 27.896 8.957 14.599 1.00 0.00 H new ATOM 0 HB2 GLN A 109 25.496 9.213 15.730 1.00 0.00 H new ATOM 0 HB3 GLN A 109 25.919 7.671 16.446 1.00 0.00 H new ATOM 0 HG2 GLN A 109 28.100 8.671 17.233 1.00 0.00 H new ATOM 0 HG3 GLN A 109 27.601 10.218 16.580 1.00 0.00 H new ATOM 0 HE21 GLN A 109 27.198 11.490 18.228 1.00 0.00 H new ATOM 0 HE22 GLN A 109 26.144 11.130 19.599 1.00 0.00 H new ATOM 1674 N ARG A 110 29.042 6.878 15.342 1.00 0.00 N ATOM 1675 CA ARG A 110 29.806 5.657 15.537 1.00 0.00 C ATOM 1676 C ARG A 110 30.867 5.863 16.619 1.00 0.00 C ATOM 1677 O ARG A 110 31.452 6.941 16.724 1.00 0.00 O ATOM 1678 CB ARG A 110 30.488 5.220 14.239 1.00 0.00 C ATOM 1679 CG ARG A 110 30.664 3.701 14.197 1.00 0.00 C ATOM 1680 CD ARG A 110 32.061 3.298 14.673 1.00 0.00 C ATOM 1681 NE ARG A 110 32.359 1.911 14.251 1.00 0.00 N ATOM 1682 CZ ARG A 110 32.859 1.582 13.052 1.00 0.00 C ATOM 1683 NH1 ARG A 110 33.120 2.538 12.150 1.00 0.00 N ATOM 1684 NH2 ARG A 110 33.098 0.297 12.756 1.00 0.00 N ATOM 0 H ARG A 110 29.541 7.736 15.578 1.00 0.00 H new ATOM 0 HA ARG A 110 29.111 4.877 15.848 1.00 0.00 H new ATOM 0 HB2 ARG A 110 29.894 5.545 13.385 1.00 0.00 H new ATOM 0 HB3 ARG A 110 31.460 5.705 14.154 1.00 0.00 H new ATOM 0 HG2 ARG A 110 29.911 3.226 14.826 1.00 0.00 H new ATOM 0 HG3 ARG A 110 30.504 3.341 13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 110 32.805 3.980 14.261 1.00 0.00 H new ATOM 0 HD3 ARG A 110 32.121 3.378 15.758 1.00 0.00 H new ATOM 0 HE ARG A 110 32.172 1.159 14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 110 32.938 3.516 12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 110 33.501 2.288 11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 110 32.899 -0.430 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 110 33.479 0.046 11.844 1.00 0.00 H new ATOM 1698 N SER A 111 31.085 4.813 17.397 1.00 0.00 N ATOM 1699 CA SER A 111 32.066 4.865 18.468 1.00 0.00 C ATOM 1700 C SER A 111 31.598 5.827 19.561 1.00 0.00 C ATOM 1701 O SER A 111 30.626 6.558 19.375 1.00 0.00 O ATOM 1702 CB SER A 111 33.437 5.291 17.938 1.00 0.00 C ATOM 1703 OG SER A 111 34.501 4.760 18.723 1.00 0.00 O ATOM 0 H SER A 111 30.599 3.921 17.307 1.00 0.00 H new ATOM 0 HA SER A 111 32.164 3.865 18.891 1.00 0.00 H new ATOM 0 HB2 SER A 111 33.546 4.958 16.906 1.00 0.00 H new ATOM 0 HB3 SER A 111 33.500 6.379 17.930 1.00 0.00 H new ATOM 0 HG SER A 111 35.359 5.053 18.352 1.00 0.00 H new ATOM 1709 N GLY A 112 32.310 5.797 20.677 1.00 0.00 N ATOM 1710 CA GLY A 112 31.979 6.657 21.801 1.00 0.00 C ATOM 1711 C GLY A 112 31.625 5.831 23.038 1.00 0.00 C ATOM 1712 O GLY A 112 30.531 5.275 23.126 1.00 0.00 O ATOM 0 H GLY A 112 33.116 5.190 20.828 1.00 0.00 H new ATOM 0 HA2 GLY A 112 32.823 7.310 22.025 1.00 0.00 H new ATOM 0 HA3 GLY A 112 31.140 7.300 21.536 1.00 0.00 H new ATOM 1716 N PRO A 113 32.596 5.774 23.989 1.00 0.00 N ATOM 1717 CA PRO A 113 32.397 5.025 25.218 1.00 0.00 C ATOM 1718 C PRO A 113 31.461 5.771 26.170 1.00 0.00 C ATOM 1719 O PRO A 113 31.179 6.952 25.970 1.00 0.00 O ATOM 1720 CB PRO A 113 33.792 4.829 25.789 1.00 0.00 C ATOM 1721 CG PRO A 113 34.670 5.868 25.110 1.00 0.00 C ATOM 1722 CD PRO A 113 33.904 6.419 23.919 1.00 0.00 C ATOM 0 HA PRO A 113 31.910 4.064 25.051 1.00 0.00 H new ATOM 0 HB2 PRO A 113 33.794 4.963 26.871 1.00 0.00 H new ATOM 0 HB3 PRO A 113 34.157 3.821 25.592 1.00 0.00 H new ATOM 0 HG2 PRO A 113 34.921 6.669 25.806 1.00 0.00 H new ATOM 0 HG3 PRO A 113 35.610 5.421 24.786 1.00 0.00 H new ATOM 0 HD2 PRO A 113 33.814 7.504 23.974 1.00 0.00 H new ATOM 0 HD3 PRO A 113 34.410 6.188 22.982 1.00 0.00 H new ATOM 1730 N SER A 114 31.004 5.052 27.185 1.00 0.00 N ATOM 1731 CA SER A 114 30.105 5.632 28.168 1.00 0.00 C ATOM 1732 C SER A 114 30.211 4.867 29.489 1.00 0.00 C ATOM 1733 O SER A 114 30.751 3.763 29.529 1.00 0.00 O ATOM 1734 CB SER A 114 28.660 5.625 27.665 1.00 0.00 C ATOM 1735 OG SER A 114 28.551 6.154 26.347 1.00 0.00 O ATOM 0 H SER A 114 31.240 4.073 27.348 1.00 0.00 H new ATOM 0 HA SER A 114 30.399 6.669 28.331 1.00 0.00 H new ATOM 0 HB2 SER A 114 28.276 4.605 27.679 1.00 0.00 H new ATOM 0 HB3 SER A 114 28.037 6.209 28.343 1.00 0.00 H new ATOM 0 HG SER A 114 27.614 6.131 26.062 1.00 0.00 H new ATOM 1741 N SER A 115 29.687 5.485 30.537 1.00 0.00 N ATOM 1742 CA SER A 115 29.716 4.876 31.856 1.00 0.00 C ATOM 1743 C SER A 115 28.438 4.067 32.088 1.00 0.00 C ATOM 1744 O SER A 115 28.498 2.869 32.360 1.00 0.00 O ATOM 1745 CB SER A 115 29.879 5.935 32.948 1.00 0.00 C ATOM 1746 OG SER A 115 30.353 5.374 34.170 1.00 0.00 O ATOM 0 H SER A 115 29.240 6.401 30.500 1.00 0.00 H new ATOM 0 HA SER A 115 30.575 4.207 31.905 1.00 0.00 H new ATOM 0 HB2 SER A 115 30.574 6.702 32.608 1.00 0.00 H new ATOM 0 HB3 SER A 115 28.922 6.427 33.122 1.00 0.00 H new ATOM 0 HG SER A 115 30.445 6.082 34.841 1.00 0.00 H new ATOM 1752 N GLY A 116 27.311 4.755 31.971 1.00 0.00 N ATOM 1753 CA GLY A 116 26.021 4.115 32.164 1.00 0.00 C ATOM 1754 C GLY A 116 24.948 5.144 32.525 1.00 0.00 C ATOM 1755 O GLY A 116 24.686 5.387 33.702 1.00 0.00 O ATOM 0 H GLY A 116 27.265 5.749 31.745 1.00 0.00 H new ATOM 0 HA2 GLY A 116 25.733 3.587 31.255 1.00 0.00 H new ATOM 0 HA3 GLY A 116 26.096 3.369 32.955 1.00 0.00 H new TER 1759 GLY A 116