USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 862 hydrogens (28 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 6 THR OG1 : rot -92:sc= 0.189 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.0665 USER MOD Set 1.3: A 70 GLN : amide:sc= -2.85! K(o=-2.6!,f=0.24) USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.64 K(o=2.4,f=-6.6!) USER MOD Set 2.2: A 39 SER OG : rot 92:sc= 1.74 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 1.26 USER MOD Set 3.2: A 38 SER OG : rot 104:sc= 0.72 USER MOD Set 4.1: A 1 GLY N :NH3+ -168:sc= 0.891 (180deg=0.00205) USER MOD Set 4.2: A 77 SER OG : rot 138:sc= 1.93 USER MOD Single : A 3 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.5) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.698 (180deg=0.697) USER MOD Single : A 20 GLN : amide:sc= 0.322 K(o=0.32,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -37:sc= 1.38 USER MOD Single : A 29 MET CE :methyl -112:sc= -0.0254 (180deg=-0.261) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.166 (180deg=-0.812) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.589 (180deg=0.456) USER MOD Single : A 43 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc=-2.24e-05 (180deg=-0.106) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.246 (180deg=0.0552) USER MOD Single : A 49 MET CE :methyl -161:sc= -0.489 (180deg=-1.47!) USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= 0.0527 (180deg=0.00491) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 GLN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 66 MET CE :methyl 139:sc= -0.0875 (180deg=-0.531) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.0391 (180deg=0.0266) USER MOD Single : A 75 THR OG1 : rot 91:sc= 0.793 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-2.3) USER MOD Single : A 94 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.246 (180deg=0.0559) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.465 -5.054 -15.083 1.00 6.24 N ATOM 2 CA GLY A 1 -8.313 -5.797 -14.589 1.00 5.48 C ATOM 3 C GLY A 1 -7.282 -4.751 -14.177 1.00 6.33 C ATOM 4 O GLY A 1 -7.666 -3.601 -13.962 1.00 5.75 O ATOM 0 H1 GLY A 1 -10.274 -5.698 -15.189 1.00 6.24 H new ATOM 0 H2 GLY A 1 -9.708 -4.301 -14.408 1.00 6.24 H new ATOM 0 H3 GLY A 1 -9.236 -4.632 -16.005 1.00 6.24 H new ATOM 0 HA2 GLY A 1 -8.589 -6.427 -13.743 1.00 5.48 H new ATOM 0 HA3 GLY A 1 -7.914 -6.456 -15.360 1.00 5.48 H new ATOM 10 N VAL A 2 -6.012 -5.158 -14.102 1.00 5.47 N ATOM 11 CA VAL A 2 -4.865 -4.305 -13.809 1.00 4.13 C ATOM 12 C VAL A 2 -3.934 -4.625 -14.975 1.00 4.43 C ATOM 13 O VAL A 2 -3.890 -5.736 -15.515 1.00 5.81 O ATOM 14 CB VAL A 2 -4.307 -4.689 -12.396 1.00 3.49 C ATOM 15 CG1 VAL A 2 -4.108 -6.187 -12.266 1.00 4.13 C ATOM 16 CG2 VAL A 2 -2.957 -4.008 -12.170 1.00 6.35 C ATOM 0 H VAL A 2 -5.748 -6.132 -14.250 1.00 5.47 H new ATOM 0 HA VAL A 2 -5.051 -3.233 -13.744 1.00 4.13 H new ATOM 0 HB VAL A 2 -5.036 -4.360 -11.656 1.00 3.49 H new ATOM 0 HG11 VAL A 2 -3.720 -6.418 -11.274 1.00 4.13 H new ATOM 0 HG12 VAL A 2 -5.062 -6.695 -12.410 1.00 4.13 H new ATOM 0 HG13 VAL A 2 -3.399 -6.527 -13.021 1.00 4.13 H new ATOM 0 HG21 VAL A 2 -2.573 -4.278 -11.186 1.00 6.35 H new ATOM 0 HG22 VAL A 2 -2.253 -4.333 -12.936 1.00 6.35 H new ATOM 0 HG23 VAL A 2 -3.081 -2.927 -12.227 1.00 6.35 H new ATOM 26 N GLN A 3 -3.254 -3.621 -15.447 1.00 4.31 N ATOM 27 CA GLN A 3 -2.298 -3.705 -16.528 1.00 5.50 C ATOM 28 C GLN A 3 -0.982 -3.300 -15.848 1.00 5.28 C ATOM 29 O GLN A 3 -0.959 -2.268 -15.177 1.00 5.22 O ATOM 30 CB GLN A 3 -2.733 -2.708 -17.510 1.00 7.13 C ATOM 31 CG GLN A 3 -1.782 -2.417 -18.616 1.00 11.82 C ATOM 32 CD GLN A 3 -2.422 -1.324 -19.438 1.00 15.85 C ATOM 33 OE1 GLN A 3 -3.569 -1.499 -19.864 1.00 16.98 O ATOM 34 NE2 GLN A 3 -1.763 -0.192 -19.655 1.00 16.20 N ATOM 0 H GLN A 3 -3.351 -2.676 -15.076 1.00 4.31 H new ATOM 0 HA GLN A 3 -2.201 -4.668 -17.028 1.00 5.50 H new ATOM 0 HB2 GLN A 3 -3.673 -3.045 -17.946 1.00 7.13 H new ATOM 0 HB3 GLN A 3 -2.941 -1.777 -16.983 1.00 7.13 H new ATOM 0 HG2 GLN A 3 -0.816 -2.097 -18.226 1.00 11.82 H new ATOM 0 HG3 GLN A 3 -1.603 -3.306 -19.221 1.00 11.82 H new ATOM 0 HE21 GLN A 3 -0.817 -0.075 -19.292 1.00 16.20 H new ATOM 0 HE22 GLN A 3 -2.203 0.560 -20.185 1.00 16.20 H new ATOM 43 N VAL A 4 0.093 -4.056 -15.996 1.00 5.58 N ATOM 44 CA VAL A 4 1.372 -3.821 -15.327 1.00 3.08 C ATOM 45 C VAL A 4 2.301 -3.361 -16.468 1.00 3.85 C ATOM 46 O VAL A 4 2.464 -4.069 -17.479 1.00 2.22 O ATOM 47 CB VAL A 4 1.886 -5.179 -14.673 1.00 2.68 C ATOM 48 CG1 VAL A 4 3.276 -4.926 -14.095 1.00 2.05 C ATOM 49 CG2 VAL A 4 0.943 -5.730 -13.559 1.00 2.28 C ATOM 0 H VAL A 4 0.105 -4.876 -16.602 1.00 5.58 H new ATOM 0 HA VAL A 4 1.320 -3.089 -14.521 1.00 3.08 H new ATOM 0 HB VAL A 4 1.905 -5.940 -15.453 1.00 2.68 H new ATOM 0 HG11 VAL A 4 3.653 -5.842 -13.640 1.00 2.05 H new ATOM 0 HG12 VAL A 4 3.950 -4.613 -14.892 1.00 2.05 H new ATOM 0 HG13 VAL A 4 3.219 -4.142 -13.340 1.00 2.05 H new ATOM 0 HG21 VAL A 4 1.355 -6.656 -13.159 1.00 2.28 H new ATOM 0 HG22 VAL A 4 0.857 -4.995 -12.759 1.00 2.28 H new ATOM 0 HG23 VAL A 4 -0.043 -5.924 -13.980 1.00 2.28 H new ATOM 59 N GLU A 5 2.826 -2.146 -16.447 1.00 2.00 N ATOM 60 CA GLU A 5 3.748 -1.704 -17.485 1.00 3.34 C ATOM 61 C GLU A 5 5.031 -1.377 -16.748 1.00 2.00 C ATOM 62 O GLU A 5 5.012 -0.611 -15.783 1.00 2.94 O ATOM 63 CB GLU A 5 3.233 -0.451 -18.200 1.00 5.96 C ATOM 64 CG GLU A 5 1.701 -0.539 -18.510 1.00 12.28 C ATOM 65 CD GLU A 5 0.886 0.657 -17.976 1.00 12.80 C ATOM 66 OE1 GLU A 5 0.965 1.681 -18.661 1.00 11.78 O ATOM 67 OE2 GLU A 5 0.192 0.566 -16.928 1.00 10.77 O ATOM 0 H GLU A 5 2.632 -1.450 -15.727 1.00 2.00 H new ATOM 0 HA GLU A 5 3.876 -2.469 -18.251 1.00 3.34 H new ATOM 0 HB2 GLU A 5 3.428 0.425 -17.581 1.00 5.96 H new ATOM 0 HB3 GLU A 5 3.784 -0.313 -19.131 1.00 5.96 H new ATOM 0 HG2 GLU A 5 1.562 -0.608 -19.589 1.00 12.28 H new ATOM 0 HG3 GLU A 5 1.305 -1.458 -18.078 1.00 12.28 H new ATOM 74 N THR A 6 6.169 -1.946 -17.098 1.00 2.69 N ATOM 75 CA THR A 6 7.426 -1.700 -16.390 1.00 2.32 C ATOM 76 C THR A 6 8.102 -0.339 -16.681 1.00 2.06 C ATOM 77 O THR A 6 8.133 0.151 -17.809 1.00 2.01 O ATOM 78 CB THR A 6 8.333 -2.889 -16.754 1.00 3.24 C ATOM 79 OG1 THR A 6 7.608 -4.082 -16.405 1.00 2.71 O ATOM 80 CG2 THR A 6 9.706 -2.779 -16.120 1.00 2.00 C ATOM 0 H THR A 6 6.256 -2.594 -17.881 1.00 2.69 H new ATOM 0 HA THR A 6 7.229 -1.628 -15.320 1.00 2.32 H new ATOM 0 HB THR A 6 8.556 -2.908 -17.821 1.00 3.24 H new ATOM 0 HG1 THR A 6 7.836 -4.347 -15.489 1.00 2.71 H new ATOM 0 HG21 THR A 6 10.309 -3.641 -16.406 1.00 2.00 H new ATOM 0 HG22 THR A 6 10.193 -1.866 -16.462 1.00 2.00 H new ATOM 0 HG23 THR A 6 9.605 -2.751 -15.035 1.00 2.00 H new ATOM 88 N ILE A 7 8.650 0.283 -15.642 1.00 2.06 N ATOM 89 CA ILE A 7 9.485 1.492 -15.702 1.00 3.36 C ATOM 90 C ILE A 7 10.945 1.006 -15.555 1.00 3.28 C ATOM 91 O ILE A 7 11.794 1.313 -16.396 1.00 2.33 O ATOM 92 CB ILE A 7 9.079 2.463 -14.539 1.00 2.81 C ATOM 93 CG1 ILE A 7 7.617 2.854 -14.789 1.00 2.08 C ATOM 94 CG2 ILE A 7 9.962 3.737 -14.452 1.00 2.00 C ATOM 95 CD1 ILE A 7 6.962 3.704 -13.688 1.00 4.79 C ATOM 0 H ILE A 7 8.522 -0.053 -14.687 1.00 2.06 H new ATOM 0 HA ILE A 7 9.360 2.042 -16.635 1.00 3.36 H new ATOM 0 HB ILE A 7 9.220 1.951 -13.587 1.00 2.81 H new ATOM 0 HG12 ILE A 7 7.562 3.403 -15.729 1.00 2.08 H new ATOM 0 HG13 ILE A 7 7.032 1.943 -14.917 1.00 2.08 H new ATOM 0 HG21 ILE A 7 9.622 4.360 -13.625 1.00 2.00 H new ATOM 0 HG22 ILE A 7 11.000 3.449 -14.286 1.00 2.00 H new ATOM 0 HG23 ILE A 7 9.885 4.297 -15.384 1.00 2.00 H new ATOM 0 HD11 ILE A 7 5.931 3.925 -13.964 1.00 4.79 H new ATOM 0 HD12 ILE A 7 6.976 3.154 -12.747 1.00 4.79 H new ATOM 0 HD13 ILE A 7 7.514 4.637 -13.572 1.00 4.79 H new ATOM 107 N SER A 8 11.286 0.209 -14.533 1.00 2.13 N ATOM 108 CA SER A 8 12.631 -0.324 -14.369 1.00 5.82 C ATOM 109 C SER A 8 12.467 -1.776 -13.923 1.00 3.98 C ATOM 110 O SER A 8 11.548 -2.092 -13.148 1.00 2.39 O ATOM 111 CB SER A 8 13.424 0.396 -13.282 1.00 4.18 C ATOM 112 OG SER A 8 13.399 1.784 -13.609 1.00 11.59 O ATOM 0 H SER A 8 10.634 -0.079 -13.803 1.00 2.13 H new ATOM 0 HA SER A 8 13.170 -0.205 -15.309 1.00 5.82 H new ATOM 0 HB2 SER A 8 12.983 0.221 -12.301 1.00 4.18 H new ATOM 0 HB3 SER A 8 14.449 0.026 -13.241 1.00 4.18 H new ATOM 0 HG SER A 8 13.898 2.288 -12.933 1.00 11.59 H new ATOM 118 N PRO A 9 13.286 -2.677 -14.455 1.00 4.08 N ATOM 119 CA PRO A 9 13.198 -4.115 -14.183 1.00 2.14 C ATOM 120 C PRO A 9 13.557 -4.451 -12.746 1.00 2.33 C ATOM 121 O PRO A 9 14.322 -3.714 -12.119 1.00 2.00 O ATOM 122 CB PRO A 9 14.136 -4.736 -15.167 1.00 2.10 C ATOM 123 CG PRO A 9 14.327 -3.676 -16.212 1.00 4.55 C ATOM 124 CD PRO A 9 14.315 -2.377 -15.445 1.00 3.80 C ATOM 0 HA PRO A 9 12.182 -4.493 -14.295 1.00 2.14 H new ATOM 0 HB2 PRO A 9 15.082 -5.009 -14.699 1.00 2.10 H new ATOM 0 HB3 PRO A 9 13.718 -5.647 -15.595 1.00 2.10 H new ATOM 0 HG2 PRO A 9 15.267 -3.812 -16.747 1.00 4.55 H new ATOM 0 HG3 PRO A 9 13.530 -3.704 -16.955 1.00 4.55 H new ATOM 0 HD2 PRO A 9 15.279 -2.153 -14.989 1.00 3.80 H new ATOM 0 HD3 PRO A 9 14.054 -1.525 -16.073 1.00 3.80 H new ATOM 132 N GLY A 10 13.026 -5.571 -12.276 1.00 2.00 N ATOM 133 CA GLY A 10 13.306 -6.125 -10.963 1.00 2.00 C ATOM 134 C GLY A 10 14.343 -7.250 -11.103 1.00 2.00 C ATOM 135 O GLY A 10 15.015 -7.344 -12.132 1.00 2.00 O ATOM 0 H GLY A 10 12.369 -6.135 -12.816 1.00 2.00 H new ATOM 0 HA2 GLY A 10 13.683 -5.347 -10.299 1.00 2.00 H new ATOM 0 HA3 GLY A 10 12.391 -6.511 -10.515 1.00 2.00 H new ATOM 139 N ASP A 11 14.525 -8.171 -10.161 1.00 2.00 N ATOM 140 CA ASP A 11 15.574 -9.183 -10.354 1.00 2.83 C ATOM 141 C ASP A 11 15.126 -10.356 -11.231 1.00 2.73 C ATOM 142 O ASP A 11 15.897 -11.271 -11.560 1.00 2.14 O ATOM 143 CB ASP A 11 16.061 -9.727 -8.990 1.00 2.14 C ATOM 144 CG ASP A 11 15.050 -10.535 -8.191 1.00 2.06 C ATOM 145 OD1 ASP A 11 13.887 -10.618 -8.547 1.00 3.24 O ATOM 146 OD2 ASP A 11 15.445 -11.104 -7.193 1.00 2.43 O ATOM 0 H ASP A 11 13.992 -8.244 -9.294 1.00 2.00 H new ATOM 0 HA ASP A 11 16.388 -8.677 -10.873 1.00 2.83 H new ATOM 0 HB2 ASP A 11 16.938 -10.350 -9.163 1.00 2.14 H new ATOM 0 HB3 ASP A 11 16.385 -8.883 -8.380 1.00 2.14 H new ATOM 151 N GLY A 12 13.822 -10.394 -11.533 1.00 2.91 N ATOM 152 CA GLY A 12 13.263 -11.491 -12.327 1.00 3.38 C ATOM 153 C GLY A 12 13.157 -12.793 -11.578 1.00 2.10 C ATOM 154 O GLY A 12 12.865 -13.789 -12.215 1.00 2.19 O ATOM 0 H GLY A 12 13.145 -9.688 -11.244 1.00 2.91 H new ATOM 0 HA2 GLY A 12 12.272 -11.204 -12.679 1.00 3.38 H new ATOM 0 HA3 GLY A 12 13.884 -11.641 -13.210 1.00 3.38 H new ATOM 158 N ARG A 13 13.361 -12.882 -10.265 1.00 3.67 N ATOM 159 CA ARG A 13 13.279 -14.167 -9.579 1.00 3.74 C ATOM 160 C ARG A 13 12.542 -14.117 -8.232 1.00 2.30 C ATOM 161 O ARG A 13 12.067 -15.154 -7.744 1.00 2.00 O ATOM 162 CB ARG A 13 14.705 -14.729 -9.312 1.00 8.46 C ATOM 163 CG ARG A 13 15.800 -14.464 -10.358 1.00 13.37 C ATOM 164 CD ARG A 13 17.212 -14.944 -10.002 1.00 17.99 C ATOM 165 NE ARG A 13 17.343 -16.355 -10.381 1.00 23.58 N ATOM 166 CZ ARG A 13 18.049 -16.733 -11.472 1.00 25.35 C ATOM 167 NH1 ARG A 13 18.706 -15.841 -12.233 1.00 26.59 N ATOM 168 NH2 ARG A 13 18.124 -18.034 -11.780 1.00 25.67 N ATOM 0 H ARG A 13 13.582 -12.089 -9.662 1.00 3.67 H new ATOM 0 HA ARG A 13 12.707 -14.808 -10.250 1.00 3.74 H new ATOM 0 HB2 ARG A 13 15.049 -14.324 -8.360 1.00 8.46 H new ATOM 0 HB3 ARG A 13 14.619 -15.808 -9.187 1.00 8.46 H new ATOM 0 HG2 ARG A 13 15.503 -14.940 -11.292 1.00 13.37 H new ATOM 0 HG3 ARG A 13 15.841 -13.391 -10.546 1.00 13.37 H new ATOM 0 HD2 ARG A 13 17.957 -14.343 -10.523 1.00 17.99 H new ATOM 0 HD3 ARG A 13 17.394 -14.822 -8.934 1.00 17.99 H new ATOM 0 HE ARG A 13 16.891 -17.068 -9.809 1.00 23.58 H new ATOM 0 HH11 ARG A 13 18.681 -14.850 -11.994 1.00 26.59 H new ATOM 0 HH12 ARG A 13 19.230 -16.155 -13.050 1.00 26.59 H new ATOM 0 HH21 ARG A 13 17.653 -18.724 -11.196 1.00 25.67 H new ATOM 0 HH22 ARG A 13 18.652 -18.335 -12.599 1.00 25.67 H new ATOM 182 N THR A 14 12.504 -12.984 -7.517 1.00 2.21 N ATOM 183 CA THR A 14 11.889 -12.893 -6.178 1.00 2.87 C ATOM 184 C THR A 14 10.552 -12.166 -6.278 1.00 3.02 C ATOM 185 O THR A 14 10.515 -10.928 -6.348 1.00 2.00 O ATOM 186 CB THR A 14 12.829 -12.117 -5.195 1.00 2.06 C ATOM 187 OG1 THR A 14 14.108 -12.625 -5.508 1.00 2.22 O ATOM 188 CG2 THR A 14 12.627 -12.311 -3.707 1.00 2.06 C ATOM 0 H THR A 14 12.898 -12.103 -7.847 1.00 2.21 H new ATOM 0 HA THR A 14 11.734 -13.902 -5.796 1.00 2.87 H new ATOM 0 HB THR A 14 12.642 -11.053 -5.339 1.00 2.06 H new ATOM 0 HG1 THR A 14 14.503 -12.093 -6.230 1.00 2.22 H new ATOM 0 HG21 THR A 14 13.352 -11.709 -3.160 1.00 2.06 H new ATOM 0 HG22 THR A 14 11.618 -12.002 -3.433 1.00 2.06 H new ATOM 0 HG23 THR A 14 12.765 -13.363 -3.455 1.00 2.06 H new ATOM 196 N PHE A 15 9.490 -12.979 -6.418 1.00 2.37 N ATOM 197 CA PHE A 15 8.120 -12.464 -6.534 1.00 3.88 C ATOM 198 C PHE A 15 7.373 -12.671 -5.209 1.00 2.49 C ATOM 199 O PHE A 15 7.667 -13.650 -4.488 1.00 3.42 O ATOM 200 CB PHE A 15 7.406 -13.175 -7.659 1.00 2.61 C ATOM 201 CG PHE A 15 8.044 -12.970 -9.035 1.00 4.70 C ATOM 202 CD1 PHE A 15 7.678 -11.893 -9.807 1.00 2.42 C ATOM 203 CD2 PHE A 15 8.993 -13.875 -9.523 1.00 3.62 C ATOM 204 CE1 PHE A 15 8.244 -11.709 -11.049 1.00 4.21 C ATOM 205 CE2 PHE A 15 9.538 -13.664 -10.771 1.00 2.04 C ATOM 206 CZ PHE A 15 9.164 -12.592 -11.527 1.00 3.90 C ATOM 0 H PHE A 15 9.558 -13.996 -6.453 1.00 2.37 H new ATOM 0 HA PHE A 15 8.149 -11.397 -6.754 1.00 3.88 H new ATOM 0 HB2 PHE A 15 7.378 -14.242 -7.439 1.00 2.61 H new ATOM 0 HB3 PHE A 15 6.373 -12.829 -7.695 1.00 2.61 H new ATOM 0 HD1 PHE A 15 6.945 -11.190 -9.439 1.00 2.42 H new ATOM 0 HD2 PHE A 15 9.294 -14.726 -8.930 1.00 3.62 H new ATOM 0 HE1 PHE A 15 7.956 -10.858 -11.648 1.00 4.21 H new ATOM 0 HE2 PHE A 15 10.271 -14.357 -11.156 1.00 2.04 H new ATOM 0 HZ PHE A 15 9.598 -12.443 -12.505 1.00 3.90 H new ATOM 216 N PRO A 16 6.516 -11.739 -4.776 1.00 2.05 N ATOM 217 CA PRO A 16 5.869 -11.809 -3.471 1.00 2.01 C ATOM 218 C PRO A 16 4.876 -12.953 -3.426 1.00 2.69 C ATOM 219 O PRO A 16 4.225 -13.286 -4.420 1.00 2.00 O ATOM 220 CB PRO A 16 5.235 -10.428 -3.291 1.00 2.17 C ATOM 221 CG PRO A 16 5.169 -9.814 -4.696 1.00 2.94 C ATOM 222 CD PRO A 16 6.370 -10.401 -5.371 1.00 2.00 C ATOM 0 HA PRO A 16 6.555 -12.023 -2.652 1.00 2.01 H new ATOM 0 HB2 PRO A 16 4.241 -10.508 -2.852 1.00 2.17 H new ATOM 0 HB3 PRO A 16 5.831 -9.808 -2.621 1.00 2.17 H new ATOM 0 HG2 PRO A 16 4.246 -10.080 -5.211 1.00 2.94 H new ATOM 0 HG3 PRO A 16 5.214 -8.725 -4.664 1.00 2.94 H new ATOM 0 HD2 PRO A 16 6.228 -10.461 -6.450 1.00 2.00 H new ATOM 0 HD3 PRO A 16 7.258 -9.792 -5.199 1.00 2.00 H new ATOM 230 N LYS A 17 4.774 -13.523 -2.248 1.00 2.05 N ATOM 231 CA LYS A 17 3.920 -14.661 -1.996 1.00 2.82 C ATOM 232 C LYS A 17 2.950 -14.256 -0.910 1.00 2.65 C ATOM 233 O LYS A 17 3.247 -13.348 -0.124 1.00 2.00 O ATOM 234 CB LYS A 17 4.798 -15.843 -1.522 1.00 6.99 C ATOM 235 CG LYS A 17 5.852 -16.213 -2.565 1.00 10.61 C ATOM 236 CD LYS A 17 5.164 -17.116 -3.584 1.00 14.13 C ATOM 237 CE LYS A 17 5.483 -16.861 -5.066 1.00 14.97 C ATOM 238 NZ LYS A 17 4.499 -15.969 -5.667 1.00 15.96 N ATOM 0 H LYS A 17 5.289 -13.205 -1.427 1.00 2.05 H new ATOM 0 HA LYS A 17 3.377 -14.967 -2.890 1.00 2.82 H new ATOM 0 HB2 LYS A 17 5.289 -15.580 -0.585 1.00 6.99 H new ATOM 0 HB3 LYS A 17 4.166 -16.708 -1.319 1.00 6.99 H new ATOM 0 HG2 LYS A 17 6.250 -15.320 -3.046 1.00 10.61 H new ATOM 0 HG3 LYS A 17 6.693 -16.726 -2.099 1.00 10.61 H new ATOM 0 HD2 LYS A 17 5.426 -18.149 -3.353 1.00 14.13 H new ATOM 0 HD3 LYS A 17 4.087 -17.022 -3.448 1.00 14.13 H new ATOM 0 HE2 LYS A 17 6.478 -16.425 -5.158 1.00 14.97 H new ATOM 0 HE3 LYS A 17 5.499 -17.808 -5.606 1.00 14.97 H new ATOM 0 HZ1 LYS A 17 4.747 -15.799 -6.663 1.00 15.96 H new ATOM 0 HZ2 LYS A 17 3.557 -16.406 -5.614 1.00 15.96 H new ATOM 0 HZ3 LYS A 17 4.491 -15.065 -5.154 1.00 15.96 H new ATOM 252 N ARG A 18 1.796 -14.924 -0.853 1.00 3.00 N ATOM 253 CA ARG A 18 0.818 -14.730 0.194 1.00 3.17 C ATOM 254 C ARG A 18 1.425 -14.851 1.611 1.00 4.58 C ATOM 255 O ARG A 18 2.148 -15.788 1.983 1.00 4.56 O ATOM 256 CB ARG A 18 -0.305 -15.746 0.073 1.00 2.35 C ATOM 257 CG ARG A 18 -1.550 -15.271 0.823 1.00 4.98 C ATOM 258 CD ARG A 18 -2.617 -16.333 1.091 1.00 7.29 C ATOM 259 NE ARG A 18 -2.040 -17.567 1.607 1.00 11.65 N ATOM 260 CZ ARG A 18 -2.714 -18.623 2.128 1.00 11.69 C ATOM 261 NH1 ARG A 18 -4.061 -18.659 2.278 1.00 8.81 N ATOM 262 NH2 ARG A 18 -1.956 -19.657 2.516 1.00 11.68 N ATOM 0 H ARG A 18 1.521 -15.621 -1.545 1.00 3.00 H new ATOM 0 HA ARG A 18 0.439 -13.716 0.065 1.00 3.17 H new ATOM 0 HB2 ARG A 18 -0.546 -15.904 -0.978 1.00 2.35 H new ATOM 0 HB3 ARG A 18 0.022 -16.706 0.473 1.00 2.35 H new ATOM 0 HG2 ARG A 18 -1.236 -14.851 1.778 1.00 4.98 H new ATOM 0 HG3 ARG A 18 -2.006 -14.462 0.253 1.00 4.98 H new ATOM 0 HD2 ARG A 18 -3.343 -15.945 1.806 1.00 7.29 H new ATOM 0 HD3 ARG A 18 -3.159 -16.544 0.169 1.00 7.29 H new ATOM 0 HE ARG A 18 -1.024 -17.645 1.573 1.00 11.65 H new ATOM 0 HH11 ARG A 18 -4.628 -17.861 1.992 1.00 8.81 H new ATOM 0 HH12 ARG A 18 -4.508 -19.484 2.677 1.00 8.81 H new ATOM 0 HH21 ARG A 18 -0.942 -19.614 2.410 1.00 11.68 H new ATOM 0 HH22 ARG A 18 -2.392 -20.487 2.917 1.00 11.68 H new ATOM 276 N GLY A 19 1.138 -13.873 2.443 1.00 3.63 N ATOM 277 CA GLY A 19 1.675 -13.863 3.760 1.00 3.22 C ATOM 278 C GLY A 19 2.940 -13.036 3.871 1.00 2.00 C ATOM 279 O GLY A 19 3.336 -12.717 4.998 1.00 2.09 O ATOM 0 H GLY A 19 0.535 -13.081 2.218 1.00 3.63 H new ATOM 0 HA2 GLY A 19 0.928 -13.470 4.449 1.00 3.22 H new ATOM 0 HA3 GLY A 19 1.887 -14.887 4.069 1.00 3.22 H new ATOM 283 N GLN A 20 3.572 -12.657 2.789 1.00 2.68 N ATOM 284 CA GLN A 20 4.724 -11.773 2.868 1.00 2.00 C ATOM 285 C GLN A 20 4.327 -10.318 2.886 1.00 2.70 C ATOM 286 O GLN A 20 3.289 -9.940 2.302 1.00 2.45 O ATOM 287 CB GLN A 20 5.666 -11.966 1.687 1.00 3.16 C ATOM 288 CG GLN A 20 6.359 -13.363 1.713 1.00 2.12 C ATOM 289 CD GLN A 20 7.410 -13.512 0.616 1.00 4.98 C ATOM 290 OE1 GLN A 20 7.140 -13.435 -0.581 1.00 5.90 O ATOM 291 NE2 GLN A 20 8.678 -13.658 0.966 1.00 4.69 N ATOM 0 H GLN A 20 3.316 -12.941 1.844 1.00 2.68 H new ATOM 0 HA GLN A 20 5.222 -12.035 3.801 1.00 2.00 H new ATOM 0 HB2 GLN A 20 5.108 -11.855 0.757 1.00 3.16 H new ATOM 0 HB3 GLN A 20 6.426 -11.184 1.698 1.00 3.16 H new ATOM 0 HG2 GLN A 20 6.828 -13.515 2.685 1.00 2.12 H new ATOM 0 HG3 GLN A 20 5.605 -14.142 1.598 1.00 2.12 H new ATOM 0 HE21 GLN A 20 8.930 -13.725 1.952 1.00 4.69 H new ATOM 0 HE22 GLN A 20 9.403 -13.704 0.250 1.00 4.69 H new ATOM 300 N THR A 21 5.159 -9.530 3.564 1.00 2.00 N ATOM 301 CA THR A 21 4.994 -8.081 3.584 1.00 2.11 C ATOM 302 C THR A 21 5.765 -7.403 2.436 1.00 3.07 C ATOM 303 O THR A 21 6.996 -7.564 2.290 1.00 2.00 O ATOM 304 CB THR A 21 5.471 -7.526 4.934 1.00 2.03 C ATOM 305 OG1 THR A 21 4.571 -8.109 5.908 1.00 2.00 O ATOM 306 CG2 THR A 21 5.479 -5.985 5.021 1.00 2.03 C ATOM 0 H THR A 21 5.953 -9.872 4.106 1.00 2.00 H new ATOM 0 HA THR A 21 3.935 -7.861 3.447 1.00 2.11 H new ATOM 0 HB THR A 21 6.515 -7.790 5.103 1.00 2.03 H new ATOM 0 HG1 THR A 21 4.815 -7.800 6.805 1.00 2.00 H new ATOM 0 HG21 THR A 21 5.829 -5.678 6.007 1.00 2.03 H new ATOM 0 HG22 THR A 21 6.144 -5.581 4.258 1.00 2.03 H new ATOM 0 HG23 THR A 21 4.470 -5.606 4.860 1.00 2.03 H new ATOM 314 N CYS A 22 5.027 -6.690 1.578 1.00 2.00 N ATOM 315 CA CYS A 22 5.617 -5.928 0.488 1.00 2.88 C ATOM 316 C CYS A 22 5.856 -4.489 0.931 1.00 2.00 C ATOM 317 O CYS A 22 4.993 -3.818 1.492 1.00 4.11 O ATOM 318 CB CYS A 22 4.708 -5.915 -0.732 1.00 2.17 C ATOM 319 SG CYS A 22 4.197 -7.542 -1.309 1.00 3.26 S ATOM 0 H CYS A 22 4.010 -6.629 1.625 1.00 2.00 H new ATOM 0 HA CYS A 22 6.560 -6.406 0.223 1.00 2.88 H new ATOM 0 HB2 CYS A 22 3.817 -5.332 -0.498 1.00 2.17 H new ATOM 0 HB3 CYS A 22 5.221 -5.401 -1.545 1.00 2.17 H new ATOM 0 HG CYS A 22 3.426 -7.412 -2.348 1.00 3.26 H new ATOM 325 N VAL A 23 7.053 -4.004 0.683 1.00 2.00 N ATOM 326 CA VAL A 23 7.499 -2.694 1.144 1.00 2.00 C ATOM 327 C VAL A 23 7.614 -1.936 -0.158 1.00 2.00 C ATOM 328 O VAL A 23 8.466 -2.282 -1.000 1.00 2.00 O ATOM 329 CB VAL A 23 8.897 -2.837 1.881 1.00 2.16 C ATOM 330 CG1 VAL A 23 9.355 -1.492 2.450 1.00 2.10 C ATOM 331 CG2 VAL A 23 8.794 -3.874 2.999 1.00 2.02 C ATOM 0 H VAL A 23 7.759 -4.511 0.148 1.00 2.00 H new ATOM 0 HA VAL A 23 6.843 -2.204 1.863 1.00 2.00 H new ATOM 0 HB VAL A 23 9.637 -3.168 1.153 1.00 2.16 H new ATOM 0 HG11 VAL A 23 10.315 -1.617 2.950 1.00 2.10 H new ATOM 0 HG12 VAL A 23 9.459 -0.770 1.640 1.00 2.10 H new ATOM 0 HG13 VAL A 23 8.617 -1.130 3.166 1.00 2.10 H new ATOM 0 HG21 VAL A 23 9.758 -3.966 3.500 1.00 2.02 H new ATOM 0 HG22 VAL A 23 8.039 -3.559 3.719 1.00 2.02 H new ATOM 0 HG23 VAL A 23 8.511 -4.838 2.576 1.00 2.02 H new ATOM 341 N VAL A 24 6.750 -0.947 -0.400 1.00 2.00 N ATOM 342 CA VAL A 24 6.722 -0.316 -1.703 1.00 2.26 C ATOM 343 C VAL A 24 6.789 1.198 -1.611 1.00 2.04 C ATOM 344 O VAL A 24 6.403 1.809 -0.604 1.00 2.00 O ATOM 345 CB VAL A 24 5.411 -0.664 -2.536 1.00 2.63 C ATOM 346 CG1 VAL A 24 5.255 -2.171 -2.726 1.00 3.59 C ATOM 347 CG2 VAL A 24 4.157 -0.122 -1.808 1.00 2.08 C ATOM 0 H VAL A 24 6.080 -0.580 0.276 1.00 2.00 H new ATOM 0 HA VAL A 24 7.602 -0.713 -2.209 1.00 2.26 H new ATOM 0 HB VAL A 24 5.511 -0.193 -3.514 1.00 2.63 H new ATOM 0 HG11 VAL A 24 4.350 -2.374 -3.299 1.00 3.59 H new ATOM 0 HG12 VAL A 24 6.119 -2.561 -3.263 1.00 3.59 H new ATOM 0 HG13 VAL A 24 5.184 -2.655 -1.752 1.00 3.59 H new ATOM 0 HG21 VAL A 24 3.266 -0.366 -2.387 1.00 2.08 H new ATOM 0 HG22 VAL A 24 4.084 -0.578 -0.821 1.00 2.08 H new ATOM 0 HG23 VAL A 24 4.236 0.960 -1.703 1.00 2.08 H new ATOM 357 N HIS A 25 7.285 1.842 -2.663 1.00 3.13 N ATOM 358 CA HIS A 25 7.049 3.264 -2.734 1.00 2.12 C ATOM 359 C HIS A 25 5.979 3.436 -3.790 1.00 2.04 C ATOM 360 O HIS A 25 5.984 2.660 -4.747 1.00 2.00 O ATOM 361 CB HIS A 25 8.329 4.055 -3.108 1.00 2.00 C ATOM 362 CG HIS A 25 8.785 4.885 -1.900 1.00 2.20 C ATOM 363 ND1 HIS A 25 8.060 5.446 -0.945 1.00 2.09 N ATOM 364 CD2 HIS A 25 10.088 5.135 -1.559 1.00 2.98 C ATOM 365 CE1 HIS A 25 8.831 6.009 -0.058 1.00 2.00 C ATOM 366 NE2 HIS A 25 10.053 5.811 -0.437 1.00 2.07 N ATOM 0 H HIS A 25 7.818 1.429 -3.428 1.00 3.13 H new ATOM 0 HA HIS A 25 6.742 3.658 -1.765 1.00 2.12 H new ATOM 0 HB2 HIS A 25 9.119 3.368 -3.411 1.00 2.00 H new ATOM 0 HB3 HIS A 25 8.131 4.708 -3.958 1.00 2.00 H new ATOM 0 HD2 HIS A 25 10.969 4.835 -2.106 1.00 2.98 H new ATOM 0 HE1 HIS A 25 8.511 6.540 0.826 1.00 2.00 H new ATOM 0 HE2 HIS A 25 10.877 6.137 0.069 1.00 2.07 H new ATOM 375 N TYR A 26 5.054 4.409 -3.664 1.00 2.18 N ATOM 376 CA TYR A 26 4.043 4.582 -4.689 1.00 2.00 C ATOM 377 C TYR A 26 3.663 6.055 -4.880 1.00 2.55 C ATOM 378 O TYR A 26 3.850 6.852 -3.943 1.00 2.00 O ATOM 379 CB TYR A 26 2.776 3.737 -4.327 1.00 2.00 C ATOM 380 CG TYR A 26 1.916 4.227 -3.174 1.00 2.00 C ATOM 381 CD1 TYR A 26 0.919 5.176 -3.429 1.00 2.38 C ATOM 382 CD2 TYR A 26 2.130 3.800 -1.873 1.00 2.00 C ATOM 383 CE1 TYR A 26 0.159 5.681 -2.388 1.00 2.00 C ATOM 384 CE2 TYR A 26 1.370 4.315 -0.817 1.00 2.00 C ATOM 385 CZ TYR A 26 0.387 5.255 -1.086 1.00 2.12 C ATOM 386 OH TYR A 26 -0.382 5.771 -0.062 1.00 2.00 O ATOM 0 H TYR A 26 4.997 5.062 -2.882 1.00 2.18 H new ATOM 0 HA TYR A 26 4.461 4.232 -5.633 1.00 2.00 H new ATOM 0 HB2 TYR A 26 2.147 3.676 -5.215 1.00 2.00 H new ATOM 0 HB3 TYR A 26 3.102 2.723 -4.097 1.00 2.00 H new ATOM 0 HD1 TYR A 26 0.743 5.515 -4.439 1.00 2.38 H new ATOM 0 HD2 TYR A 26 2.892 3.061 -1.672 1.00 2.00 H new ATOM 0 HE1 TYR A 26 -0.614 6.408 -2.589 1.00 2.00 H new ATOM 0 HE2 TYR A 26 1.547 3.984 0.196 1.00 2.00 H new ATOM 0 HH TYR A 26 -0.561 6.719 -0.233 1.00 2.00 H new ATOM 396 N THR A 27 3.151 6.385 -6.067 1.00 2.38 N ATOM 397 CA THR A 27 2.491 7.660 -6.349 1.00 2.63 C ATOM 398 C THR A 27 1.235 7.236 -7.096 1.00 2.34 C ATOM 399 O THR A 27 1.310 6.479 -8.065 1.00 2.79 O ATOM 400 CB THR A 27 3.281 8.571 -7.256 1.00 2.00 C ATOM 401 OG1 THR A 27 4.508 8.863 -6.594 1.00 2.75 O ATOM 402 CG2 THR A 27 2.515 9.844 -7.544 1.00 4.47 C ATOM 0 H THR A 27 3.184 5.762 -6.874 1.00 2.38 H new ATOM 0 HA THR A 27 2.338 8.220 -5.427 1.00 2.63 H new ATOM 0 HB THR A 27 3.465 8.087 -8.215 1.00 2.00 H new ATOM 0 HG1 THR A 27 5.051 9.454 -7.157 1.00 2.75 H new ATOM 0 HG21 THR A 27 3.106 10.484 -8.200 1.00 4.47 H new ATOM 0 HG22 THR A 27 1.571 9.598 -8.031 1.00 4.47 H new ATOM 0 HG23 THR A 27 2.316 10.368 -6.609 1.00 4.47 H new ATOM 410 N GLY A 28 0.074 7.582 -6.591 1.00 3.41 N ATOM 411 CA GLY A 28 -1.221 7.264 -7.212 1.00 2.19 C ATOM 412 C GLY A 28 -1.744 8.491 -7.934 1.00 2.29 C ATOM 413 O GLY A 28 -1.796 9.577 -7.358 1.00 2.51 O ATOM 0 H GLY A 28 -0.014 8.104 -5.719 1.00 3.41 H new ATOM 0 HA2 GLY A 28 -1.108 6.436 -7.912 1.00 2.19 H new ATOM 0 HA3 GLY A 28 -1.933 6.944 -6.452 1.00 2.19 H new ATOM 417 N MET A 29 -2.168 8.282 -9.170 1.00 2.00 N ATOM 418 CA MET A 29 -2.707 9.299 -10.065 1.00 2.53 C ATOM 419 C MET A 29 -4.009 8.808 -10.714 1.00 3.85 C ATOM 420 O MET A 29 -4.366 7.619 -10.793 1.00 5.17 O ATOM 421 CB MET A 29 -1.720 9.634 -11.186 1.00 2.36 C ATOM 422 CG MET A 29 -0.448 10.232 -10.676 1.00 3.29 C ATOM 423 SD MET A 29 0.895 10.017 -11.864 1.00 18.22 S ATOM 424 CE MET A 29 1.291 8.320 -11.526 1.00 4.93 C ATOM 0 H MET A 29 -2.146 7.357 -9.598 1.00 2.00 H new ATOM 0 HA MET A 29 -2.892 10.188 -9.462 1.00 2.53 H new ATOM 0 HB2 MET A 29 -1.491 8.727 -11.746 1.00 2.36 H new ATOM 0 HB3 MET A 29 -2.190 10.329 -11.882 1.00 2.36 H new ATOM 0 HG2 MET A 29 -0.596 11.294 -10.478 1.00 3.29 H new ATOM 0 HG3 MET A 29 -0.178 9.766 -9.729 1.00 3.29 H new ATOM 0 HE1 MET A 29 2.277 8.261 -11.064 1.00 4.93 H new ATOM 0 HE2 MET A 29 0.547 7.901 -10.848 1.00 4.93 H new ATOM 0 HE3 MET A 29 1.292 7.754 -12.458 1.00 4.93 H new ATOM 434 N LEU A 30 -4.808 9.810 -11.025 1.00 5.61 N ATOM 435 CA LEU A 30 -6.030 9.696 -11.781 1.00 2.23 C ATOM 436 C LEU A 30 -5.624 9.631 -13.252 1.00 2.28 C ATOM 437 O LEU A 30 -4.512 10.045 -13.603 1.00 2.13 O ATOM 438 CB LEU A 30 -6.833 10.939 -11.440 1.00 3.44 C ATOM 439 CG LEU A 30 -8.077 10.941 -10.538 1.00 5.20 C ATOM 440 CD1 LEU A 30 -8.182 9.694 -9.682 1.00 5.93 C ATOM 441 CD2 LEU A 30 -8.042 12.208 -9.748 1.00 5.88 C ATOM 0 H LEU A 30 -4.609 10.769 -10.742 1.00 5.61 H new ATOM 0 HA LEU A 30 -6.633 8.815 -11.560 1.00 2.23 H new ATOM 0 HB2 LEU A 30 -6.130 11.641 -10.990 1.00 3.44 H new ATOM 0 HB3 LEU A 30 -7.147 11.368 -12.391 1.00 3.44 H new ATOM 0 HG LEU A 30 -8.985 10.912 -11.140 1.00 5.20 H new ATOM 0 HD11 LEU A 30 -9.079 9.750 -9.066 1.00 5.93 H new ATOM 0 HD12 LEU A 30 -8.238 8.815 -10.325 1.00 5.93 H new ATOM 0 HD13 LEU A 30 -7.305 9.619 -9.040 1.00 5.93 H new ATOM 0 HD21 LEU A 30 -8.911 12.251 -9.091 1.00 5.88 H new ATOM 0 HD22 LEU A 30 -7.132 12.238 -9.149 1.00 5.88 H new ATOM 0 HD23 LEU A 30 -8.058 13.061 -10.427 1.00 5.88 H new ATOM 453 N GLU A 31 -6.459 9.227 -14.218 1.00 2.00 N ATOM 454 CA GLU A 31 -6.055 9.175 -15.620 1.00 3.38 C ATOM 455 C GLU A 31 -5.569 10.459 -16.261 1.00 2.24 C ATOM 456 O GLU A 31 -4.872 10.474 -17.265 1.00 2.51 O ATOM 457 CB GLU A 31 -7.199 8.676 -16.449 1.00 6.39 C ATOM 458 CG GLU A 31 -7.282 7.180 -16.407 1.00 8.67 C ATOM 459 CD GLU A 31 -8.271 6.715 -17.471 1.00 12.33 C ATOM 460 OE1 GLU A 31 -9.463 7.070 -17.356 1.00 11.11 O ATOM 461 OE2 GLU A 31 -7.823 6.010 -18.393 1.00 11.97 O ATOM 0 H GLU A 31 -7.420 8.931 -14.049 1.00 2.00 H new ATOM 0 HA GLU A 31 -5.189 8.513 -15.601 1.00 3.38 H new ATOM 0 HB2 GLU A 31 -8.132 9.106 -16.084 1.00 6.39 H new ATOM 0 HB3 GLU A 31 -7.077 9.008 -17.480 1.00 6.39 H new ATOM 0 HG2 GLU A 31 -6.300 6.742 -16.587 1.00 8.67 H new ATOM 0 HG3 GLU A 31 -7.604 6.847 -15.420 1.00 8.67 H new ATOM 468 N ASP A 32 -5.916 11.602 -15.690 1.00 2.28 N ATOM 469 CA ASP A 32 -5.447 12.864 -16.228 1.00 2.22 C ATOM 470 C ASP A 32 -4.088 13.308 -15.673 1.00 2.02 C ATOM 471 O ASP A 32 -3.721 14.463 -15.940 1.00 3.63 O ATOM 472 CB ASP A 32 -6.505 13.944 -15.937 1.00 2.07 C ATOM 473 CG ASP A 32 -6.768 14.266 -14.478 1.00 4.69 C ATOM 474 OD1 ASP A 32 -6.221 13.611 -13.601 1.00 3.24 O ATOM 475 OD2 ASP A 32 -7.526 15.204 -14.215 1.00 7.19 O ATOM 0 H ASP A 32 -6.512 11.680 -14.866 1.00 2.28 H new ATOM 0 HA ASP A 32 -5.302 12.724 -17.299 1.00 2.22 H new ATOM 0 HB2 ASP A 32 -6.200 14.863 -16.438 1.00 2.07 H new ATOM 0 HB3 ASP A 32 -7.445 13.630 -16.391 1.00 2.07 H new ATOM 480 N GLY A 33 -3.408 12.475 -14.849 1.00 2.80 N ATOM 481 CA GLY A 33 -2.105 12.796 -14.283 1.00 3.15 C ATOM 482 C GLY A 33 -2.174 13.404 -12.885 1.00 5.33 C ATOM 483 O GLY A 33 -1.196 13.583 -12.165 1.00 6.47 O ATOM 0 H GLY A 33 -3.762 11.561 -14.566 1.00 2.80 H new ATOM 0 HA2 GLY A 33 -1.502 11.889 -14.245 1.00 3.15 H new ATOM 0 HA3 GLY A 33 -1.592 13.492 -14.947 1.00 3.15 H new ATOM 487 N LYS A 34 -3.338 13.772 -12.401 1.00 6.33 N ATOM 488 CA LYS A 34 -3.455 14.367 -11.096 1.00 8.80 C ATOM 489 C LYS A 34 -3.095 13.353 -10.009 1.00 8.23 C ATOM 490 O LYS A 34 -3.707 12.298 -9.897 1.00 5.74 O ATOM 491 CB LYS A 34 -4.890 14.858 -10.941 1.00 10.07 C ATOM 492 CG LYS A 34 -4.945 15.996 -9.981 1.00 12.70 C ATOM 493 CD LYS A 34 -5.292 15.591 -8.562 1.00 16.34 C ATOM 494 CE LYS A 34 -6.779 15.266 -8.496 1.00 21.18 C ATOM 495 NZ LYS A 34 -7.595 16.452 -8.726 1.00 21.86 N ATOM 0 H LYS A 34 -4.222 13.667 -12.899 1.00 6.33 H new ATOM 0 HA LYS A 34 -2.763 15.203 -10.991 1.00 8.80 H new ATOM 0 HB2 LYS A 34 -5.281 15.171 -11.909 1.00 10.07 H new ATOM 0 HB3 LYS A 34 -5.524 14.045 -10.588 1.00 10.07 H new ATOM 0 HG2 LYS A 34 -3.979 16.502 -9.977 1.00 12.70 H new ATOM 0 HG3 LYS A 34 -5.682 16.718 -10.332 1.00 12.70 H new ATOM 0 HD2 LYS A 34 -4.702 14.725 -8.261 1.00 16.34 H new ATOM 0 HD3 LYS A 34 -5.050 16.397 -7.869 1.00 16.34 H new ATOM 0 HE2 LYS A 34 -7.020 14.507 -9.240 1.00 21.18 H new ATOM 0 HE3 LYS A 34 -7.017 14.843 -7.520 1.00 21.18 H new ATOM 0 HZ1 LYS A 34 -8.519 16.333 -8.263 1.00 21.86 H new ATOM 0 HZ2 LYS A 34 -7.115 17.286 -8.331 1.00 21.86 H new ATOM 0 HZ3 LYS A 34 -7.734 16.585 -9.748 1.00 21.86 H new ATOM 509 N LYS A 35 -2.135 13.729 -9.180 1.00 7.56 N ATOM 510 CA LYS A 35 -1.657 12.929 -8.080 1.00 8.04 C ATOM 511 C LYS A 35 -2.660 13.048 -6.969 1.00 5.68 C ATOM 512 O LYS A 35 -3.052 14.164 -6.595 1.00 6.91 O ATOM 513 CB LYS A 35 -0.306 13.471 -7.615 1.00 8.72 C ATOM 514 CG LYS A 35 0.510 12.681 -6.585 1.00 12.44 C ATOM 515 CD LYS A 35 1.806 13.407 -6.178 1.00 14.32 C ATOM 516 CE LYS A 35 1.543 14.729 -5.415 1.00 15.27 C ATOM 517 NZ LYS A 35 2.772 15.452 -5.097 1.00 16.18 N ATOM 0 H LYS A 35 -1.657 14.626 -9.262 1.00 7.56 H new ATOM 0 HA LYS A 35 -1.535 11.887 -8.376 1.00 8.04 H new ATOM 0 HB2 LYS A 35 0.318 13.596 -8.500 1.00 8.72 H new ATOM 0 HB3 LYS A 35 -0.477 14.465 -7.203 1.00 8.72 H new ATOM 0 HG2 LYS A 35 -0.100 12.508 -5.698 1.00 12.44 H new ATOM 0 HG3 LYS A 35 0.759 11.703 -6.996 1.00 12.44 H new ATOM 0 HD2 LYS A 35 2.406 12.746 -5.553 1.00 14.32 H new ATOM 0 HD3 LYS A 35 2.393 13.620 -7.071 1.00 14.32 H new ATOM 0 HE2 LYS A 35 0.896 15.368 -6.016 1.00 15.27 H new ATOM 0 HE3 LYS A 35 1.006 14.510 -4.492 1.00 15.27 H new ATOM 0 HZ1 LYS A 35 2.541 16.433 -4.839 1.00 16.18 H new ATOM 0 HZ2 LYS A 35 3.251 14.988 -4.299 1.00 16.18 H new ATOM 0 HZ3 LYS A 35 3.400 15.451 -5.926 1.00 16.18 H new ATOM 531 N PHE A 36 -3.082 11.936 -6.401 1.00 3.94 N ATOM 532 CA PHE A 36 -3.949 12.021 -5.234 1.00 2.69 C ATOM 533 C PHE A 36 -3.191 11.619 -3.968 1.00 2.19 C ATOM 534 O PHE A 36 -3.654 11.894 -2.853 1.00 2.00 O ATOM 535 CB PHE A 36 -5.200 11.145 -5.430 1.00 2.10 C ATOM 536 CG PHE A 36 -5.037 9.687 -5.837 1.00 4.03 C ATOM 537 CD1 PHE A 36 -4.791 8.712 -4.869 1.00 2.64 C ATOM 538 CD2 PHE A 36 -5.208 9.338 -7.176 1.00 5.73 C ATOM 539 CE1 PHE A 36 -4.729 7.384 -5.250 1.00 2.73 C ATOM 540 CE2 PHE A 36 -5.143 7.999 -7.533 1.00 4.29 C ATOM 541 CZ PHE A 36 -4.907 7.025 -6.575 1.00 3.77 C ATOM 0 H PHE A 36 -2.851 10.992 -6.711 1.00 3.94 H new ATOM 0 HA PHE A 36 -4.273 13.055 -5.117 1.00 2.69 H new ATOM 0 HB2 PHE A 36 -5.761 11.163 -4.496 1.00 2.10 H new ATOM 0 HB3 PHE A 36 -5.822 11.627 -6.184 1.00 2.10 H new ATOM 0 HD1 PHE A 36 -4.651 8.991 -3.835 1.00 2.64 H new ATOM 0 HD2 PHE A 36 -5.388 10.097 -7.923 1.00 5.73 H new ATOM 0 HE1 PHE A 36 -4.540 6.622 -4.509 1.00 2.73 H new ATOM 0 HE2 PHE A 36 -5.277 7.713 -8.566 1.00 4.29 H new ATOM 0 HZ PHE A 36 -4.862 5.985 -6.863 1.00 3.77 H new ATOM 551 N ASP A 37 -2.057 10.929 -4.096 1.00 3.41 N ATOM 552 CA ASP A 37 -1.241 10.565 -2.924 1.00 2.12 C ATOM 553 C ASP A 37 0.074 9.944 -3.361 1.00 2.45 C ATOM 554 O ASP A 37 0.128 9.431 -4.469 1.00 2.93 O ATOM 555 CB ASP A 37 -1.913 9.532 -1.995 1.00 2.05 C ATOM 556 CG ASP A 37 -1.197 9.476 -0.636 1.00 2.59 C ATOM 557 OD1 ASP A 37 -0.988 10.520 -0.028 1.00 6.13 O ATOM 558 OD2 ASP A 37 -0.792 8.421 -0.185 1.00 2.00 O ATOM 0 H ASP A 37 -1.680 10.611 -4.989 1.00 3.41 H new ATOM 0 HA ASP A 37 -1.102 11.501 -2.382 1.00 2.12 H new ATOM 0 HB2 ASP A 37 -2.961 9.794 -1.849 1.00 2.05 H new ATOM 0 HB3 ASP A 37 -1.893 8.548 -2.463 1.00 2.05 H new ATOM 563 N SER A 38 1.114 10.015 -2.517 1.00 2.00 N ATOM 564 CA SER A 38 2.447 9.460 -2.791 1.00 2.93 C ATOM 565 C SER A 38 3.206 9.242 -1.494 1.00 2.00 C ATOM 566 O SER A 38 3.273 10.151 -0.662 1.00 2.00 O ATOM 567 CB SER A 38 3.285 10.401 -3.677 1.00 2.08 C ATOM 568 OG SER A 38 4.539 9.798 -3.958 1.00 2.00 O ATOM 0 H SER A 38 1.050 10.469 -1.606 1.00 2.00 H new ATOM 0 HA SER A 38 2.294 8.515 -3.312 1.00 2.93 H new ATOM 0 HB2 SER A 38 2.755 10.611 -4.606 1.00 2.08 H new ATOM 0 HB3 SER A 38 3.434 11.356 -3.172 1.00 2.08 H new ATOM 0 HG SER A 38 4.536 9.450 -4.874 1.00 2.00 H new ATOM 574 N SER A 39 3.743 8.034 -1.279 1.00 2.00 N ATOM 575 CA SER A 39 4.571 7.805 -0.094 1.00 2.30 C ATOM 576 C SER A 39 5.947 8.439 -0.319 1.00 2.10 C ATOM 577 O SER A 39 6.699 8.681 0.633 1.00 2.00 O ATOM 578 CB SER A 39 4.748 6.315 0.183 1.00 2.05 C ATOM 579 OG SER A 39 5.236 5.620 -0.956 1.00 2.24 O ATOM 0 H SER A 39 3.624 7.226 -1.889 1.00 2.00 H new ATOM 0 HA SER A 39 4.074 8.255 0.765 1.00 2.30 H new ATOM 0 HB2 SER A 39 5.439 6.180 1.015 1.00 2.05 H new ATOM 0 HB3 SER A 39 3.794 5.886 0.489 1.00 2.05 H new ATOM 0 HG SER A 39 6.215 5.594 -0.929 1.00 2.24 H new ATOM 585 N ARG A 40 6.294 8.667 -1.596 1.00 2.24 N ATOM 586 CA ARG A 40 7.553 9.275 -1.948 1.00 2.47 C ATOM 587 C ARG A 40 7.538 10.701 -1.359 1.00 4.47 C ATOM 588 O ARG A 40 8.534 11.116 -0.782 1.00 3.23 O ATOM 589 CB ARG A 40 7.756 9.302 -3.488 1.00 2.21 C ATOM 590 CG ARG A 40 7.920 7.902 -4.122 1.00 3.48 C ATOM 591 CD ARG A 40 8.353 7.864 -5.615 1.00 6.38 C ATOM 592 NE ARG A 40 8.384 6.505 -6.192 1.00 9.98 N ATOM 593 CZ ARG A 40 7.322 5.956 -6.838 1.00 10.55 C ATOM 594 NH1 ARG A 40 6.174 6.627 -6.991 1.00 10.41 N ATOM 595 NH2 ARG A 40 7.374 4.697 -7.346 1.00 10.02 N ATOM 0 H ARG A 40 5.705 8.432 -2.395 1.00 2.24 H new ATOM 0 HA ARG A 40 8.386 8.700 -1.544 1.00 2.47 H new ATOM 0 HB2 ARG A 40 6.903 9.801 -3.948 1.00 2.21 H new ATOM 0 HB3 ARG A 40 8.638 9.900 -3.718 1.00 2.21 H new ATOM 0 HG2 ARG A 40 8.655 7.347 -3.539 1.00 3.48 H new ATOM 0 HG3 ARG A 40 6.973 7.371 -4.028 1.00 3.48 H new ATOM 0 HD2 ARG A 40 7.669 8.481 -6.198 1.00 6.38 H new ATOM 0 HD3 ARG A 40 9.343 8.311 -5.708 1.00 6.38 H new ATOM 0 HE ARG A 40 9.238 5.955 -6.102 1.00 9.98 H new ATOM 0 HH11 ARG A 40 6.082 7.572 -6.619 1.00 10.41 H new ATOM 0 HH12 ARG A 40 5.391 6.193 -7.480 1.00 10.41 H new ATOM 0 HH21 ARG A 40 8.224 4.142 -7.247 1.00 10.02 H new ATOM 0 HH22 ARG A 40 6.563 4.307 -7.827 1.00 10.02 H new ATOM 609 N ASP A 41 6.411 11.411 -1.344 1.00 5.39 N ATOM 610 CA ASP A 41 6.346 12.732 -0.712 1.00 4.46 C ATOM 611 C ASP A 41 6.509 12.617 0.809 1.00 4.66 C ATOM 612 O ASP A 41 6.984 13.561 1.443 1.00 5.88 O ATOM 613 CB ASP A 41 4.984 13.429 -1.037 1.00 4.98 C ATOM 614 CG ASP A 41 4.733 13.697 -2.513 1.00 5.60 C ATOM 615 OD1 ASP A 41 5.654 13.939 -3.294 1.00 7.25 O ATOM 616 OD2 ASP A 41 3.563 13.633 -2.896 1.00 8.02 O ATOM 0 H ASP A 41 5.534 11.098 -1.759 1.00 5.39 H new ATOM 0 HA ASP A 41 7.162 13.333 -1.112 1.00 4.46 H new ATOM 0 HB2 ASP A 41 4.175 12.807 -0.654 1.00 4.98 H new ATOM 0 HB3 ASP A 41 4.941 14.376 -0.499 1.00 4.98 H new ATOM 621 N ARG A 42 6.119 11.501 1.431 1.00 6.18 N ATOM 622 CA ARG A 42 6.335 11.336 2.857 1.00 6.28 C ATOM 623 C ARG A 42 7.704 10.711 3.173 1.00 6.35 C ATOM 624 O ARG A 42 8.161 10.699 4.325 1.00 4.86 O ATOM 625 CB ARG A 42 5.284 10.455 3.476 1.00 6.80 C ATOM 626 CG ARG A 42 3.890 10.877 3.088 1.00 8.27 C ATOM 627 CD ARG A 42 2.863 10.037 3.837 1.00 6.41 C ATOM 628 NE ARG A 42 2.629 8.659 3.463 1.00 9.14 N ATOM 629 CZ ARG A 42 1.775 8.322 2.489 1.00 9.65 C ATOM 630 NH1 ARG A 42 1.183 9.269 1.753 1.00 10.21 N ATOM 631 NH2 ARG A 42 1.574 7.039 2.193 1.00 8.82 N ATOM 0 H ARG A 42 5.660 10.714 0.972 1.00 6.18 H new ATOM 0 HA ARG A 42 6.286 12.341 3.275 1.00 6.28 H new ATOM 0 HB2 ARG A 42 5.449 9.423 3.167 1.00 6.80 H new ATOM 0 HB3 ARG A 42 5.382 10.482 4.561 1.00 6.80 H new ATOM 0 HG2 ARG A 42 3.744 11.933 3.316 1.00 8.27 H new ATOM 0 HG3 ARG A 42 3.752 10.761 2.013 1.00 8.27 H new ATOM 0 HD2 ARG A 42 3.149 10.041 4.889 1.00 6.41 H new ATOM 0 HD3 ARG A 42 1.908 10.557 3.765 1.00 6.41 H new ATOM 0 HE ARG A 42 3.131 7.921 3.957 1.00 9.14 H new ATOM 0 HH11 ARG A 42 1.382 10.253 1.933 1.00 10.21 H new ATOM 0 HH12 ARG A 42 0.533 9.007 1.012 1.00 10.21 H new ATOM 0 HH21 ARG A 42 2.071 6.313 2.709 1.00 8.82 H new ATOM 0 HH22 ARG A 42 0.923 6.783 1.451 1.00 8.82 H new ATOM 645 N ASN A 43 8.396 10.225 2.135 1.00 9.32 N ATOM 646 CA ASN A 43 9.700 9.601 2.248 1.00 9.05 C ATOM 647 C ASN A 43 9.659 8.416 3.225 1.00 10.05 C ATOM 648 O ASN A 43 10.584 8.118 3.950 1.00 6.95 O ATOM 649 CB ASN A 43 10.664 10.681 2.679 1.00 11.21 C ATOM 650 CG ASN A 43 12.093 10.204 2.617 1.00 14.48 C ATOM 651 OD1 ASN A 43 12.846 10.400 3.556 1.00 16.38 O ATOM 652 ND2 ASN A 43 12.628 9.626 1.549 1.00 15.17 N ATOM 0 H ASN A 43 8.049 10.260 1.177 1.00 9.32 H new ATOM 0 HA ASN A 43 10.025 9.179 1.297 1.00 9.05 H new ATOM 0 HB2 ASN A 43 10.543 11.555 2.039 1.00 11.21 H new ATOM 0 HB3 ASN A 43 10.428 10.996 3.696 1.00 11.21 H new ATOM 0 HD21 ASN A 43 13.616 9.373 1.547 1.00 15.17 H new ATOM 0 HD22 ASN A 43 12.051 9.435 0.730 1.00 15.17 H new ATOM 659 N LYS A 44 8.570 7.682 3.294 1.00 10.76 N ATOM 660 CA LYS A 44 8.474 6.523 4.161 1.00 10.17 C ATOM 661 C LYS A 44 7.716 5.491 3.314 1.00 8.67 C ATOM 662 O LYS A 44 6.660 5.838 2.750 1.00 7.64 O ATOM 663 CB LYS A 44 7.724 6.951 5.441 1.00 13.81 C ATOM 664 CG LYS A 44 7.660 5.875 6.547 1.00 15.25 C ATOM 665 CD LYS A 44 6.928 6.427 7.770 1.00 17.60 C ATOM 666 CE LYS A 44 6.521 5.315 8.763 1.00 19.28 C ATOM 667 NZ LYS A 44 5.454 4.474 8.237 1.00 20.21 N ATOM 0 H LYS A 44 7.726 7.869 2.753 1.00 10.76 H new ATOM 0 HA LYS A 44 9.423 6.103 4.494 1.00 10.17 H new ATOM 0 HB2 LYS A 44 8.206 7.840 5.847 1.00 13.81 H new ATOM 0 HB3 LYS A 44 6.707 7.235 5.171 1.00 13.81 H new ATOM 0 HG2 LYS A 44 7.146 4.989 6.175 1.00 15.25 H new ATOM 0 HG3 LYS A 44 8.668 5.566 6.825 1.00 15.25 H new ATOM 0 HD2 LYS A 44 7.568 7.148 8.278 1.00 17.60 H new ATOM 0 HD3 LYS A 44 6.037 6.965 7.445 1.00 17.60 H new ATOM 0 HE2 LYS A 44 7.390 4.697 8.991 1.00 19.28 H new ATOM 0 HE3 LYS A 44 6.197 5.767 9.700 1.00 19.28 H new ATOM 0 HZ1 LYS A 44 5.074 3.878 9.000 1.00 20.21 H new ATOM 0 HZ2 LYS A 44 4.695 5.074 7.855 1.00 20.21 H new ATOM 0 HZ3 LYS A 44 5.830 3.868 7.480 1.00 20.21 H new ATOM 681 N PRO A 45 8.294 4.297 3.015 1.00 8.75 N ATOM 682 CA PRO A 45 7.661 3.256 2.204 1.00 5.33 C ATOM 683 C PRO A 45 6.355 2.812 2.839 1.00 3.26 C ATOM 684 O PRO A 45 6.200 2.871 4.064 1.00 2.00 O ATOM 685 CB PRO A 45 8.625 2.097 2.129 1.00 4.54 C ATOM 686 CG PRO A 45 9.937 2.724 2.514 1.00 6.86 C ATOM 687 CD PRO A 45 9.573 3.798 3.533 1.00 6.96 C ATOM 0 HA PRO A 45 7.433 3.633 1.207 1.00 5.33 H new ATOM 0 HB2 PRO A 45 8.345 1.294 2.811 1.00 4.54 H new ATOM 0 HB3 PRO A 45 8.662 1.666 1.128 1.00 4.54 H new ATOM 0 HG2 PRO A 45 10.617 1.987 2.942 1.00 6.86 H new ATOM 0 HG3 PRO A 45 10.439 3.155 1.647 1.00 6.86 H new ATOM 0 HD2 PRO A 45 9.473 3.388 4.538 1.00 6.96 H new ATOM 0 HD3 PRO A 45 10.327 4.584 3.583 1.00 6.96 H new ATOM 695 N PHE A 46 5.428 2.342 2.001 1.00 3.06 N ATOM 696 CA PHE A 46 4.173 1.863 2.522 1.00 2.08 C ATOM 697 C PHE A 46 4.310 0.356 2.666 1.00 2.00 C ATOM 698 O PHE A 46 4.838 -0.278 1.757 1.00 2.00 O ATOM 699 CB PHE A 46 3.073 2.236 1.527 1.00 2.00 C ATOM 700 CG PHE A 46 1.705 1.712 1.869 1.00 2.33 C ATOM 701 CD1 PHE A 46 0.980 2.288 2.886 1.00 2.08 C ATOM 702 CD2 PHE A 46 1.191 0.656 1.158 1.00 2.08 C ATOM 703 CE1 PHE A 46 -0.268 1.795 3.186 1.00 4.65 C ATOM 704 CE2 PHE A 46 -0.057 0.177 1.473 1.00 3.26 C ATOM 705 CZ PHE A 46 -0.798 0.740 2.489 1.00 3.32 C ATOM 0 H PHE A 46 5.529 2.288 0.987 1.00 3.06 H new ATOM 0 HA PHE A 46 3.918 2.300 3.488 1.00 2.08 H new ATOM 0 HB2 PHE A 46 3.022 3.322 1.454 1.00 2.00 H new ATOM 0 HB3 PHE A 46 3.353 1.863 0.542 1.00 2.00 H new ATOM 0 HD1 PHE A 46 1.387 3.119 3.443 1.00 2.08 H new ATOM 0 HD2 PHE A 46 1.762 0.207 0.359 1.00 2.08 H new ATOM 0 HE1 PHE A 46 -0.840 2.246 3.983 1.00 4.65 H new ATOM 0 HE2 PHE A 46 -0.464 -0.654 0.916 1.00 3.26 H new ATOM 0 HZ PHE A 46 -1.778 0.357 2.732 1.00 3.32 H new ATOM 715 N LYS A 47 3.834 -0.266 3.735 1.00 2.00 N ATOM 716 CA LYS A 47 3.916 -1.717 3.850 1.00 3.08 C ATOM 717 C LYS A 47 2.526 -2.362 3.772 1.00 2.74 C ATOM 718 O LYS A 47 1.594 -1.823 4.390 1.00 2.00 O ATOM 719 CB LYS A 47 4.517 -2.122 5.189 1.00 2.52 C ATOM 720 CG LYS A 47 5.951 -1.711 5.281 1.00 5.16 C ATOM 721 CD LYS A 47 6.607 -2.195 6.558 1.00 8.34 C ATOM 722 CE LYS A 47 8.068 -1.829 6.361 1.00 8.64 C ATOM 723 NZ LYS A 47 8.854 -2.083 7.561 1.00 10.62 N ATOM 0 H LYS A 47 3.392 0.203 4.526 1.00 2.00 H new ATOM 0 HA LYS A 47 4.541 -2.057 3.024 1.00 3.08 H new ATOM 0 HB2 LYS A 47 3.951 -1.662 5.999 1.00 2.52 H new ATOM 0 HB3 LYS A 47 4.436 -3.202 5.316 1.00 2.52 H new ATOM 0 HG2 LYS A 47 6.496 -2.106 4.423 1.00 5.16 H new ATOM 0 HG3 LYS A 47 6.019 -0.624 5.229 1.00 5.16 H new ATOM 0 HD2 LYS A 47 6.185 -1.707 7.437 1.00 8.34 H new ATOM 0 HD3 LYS A 47 6.476 -3.268 6.696 1.00 8.34 H new ATOM 0 HE2 LYS A 47 8.478 -2.402 5.530 1.00 8.64 H new ATOM 0 HE3 LYS A 47 8.146 -0.776 6.091 1.00 8.64 H new ATOM 0 HZ1 LYS A 47 9.674 -1.443 7.581 1.00 10.62 H new ATOM 0 HZ2 LYS A 47 8.266 -1.918 8.403 1.00 10.62 H new ATOM 0 HZ3 LYS A 47 9.185 -3.069 7.557 1.00 10.62 H new ATOM 737 N PHE A 48 2.331 -3.463 3.044 1.00 2.00 N ATOM 738 CA PHE A 48 1.088 -4.209 3.153 1.00 2.38 C ATOM 739 C PHE A 48 1.435 -5.684 3.051 1.00 2.38 C ATOM 740 O PHE A 48 2.435 -6.009 2.386 1.00 4.31 O ATOM 741 CB PHE A 48 0.095 -3.836 2.039 1.00 2.00 C ATOM 742 CG PHE A 48 0.412 -4.344 0.632 1.00 2.08 C ATOM 743 CD1 PHE A 48 1.301 -3.656 -0.160 1.00 2.00 C ATOM 744 CD2 PHE A 48 -0.216 -5.484 0.143 1.00 2.00 C ATOM 745 CE1 PHE A 48 1.558 -4.099 -1.433 1.00 2.00 C ATOM 746 CE2 PHE A 48 0.048 -5.926 -1.151 1.00 2.00 C ATOM 747 CZ PHE A 48 0.937 -5.226 -1.938 1.00 2.20 C ATOM 0 H PHE A 48 3.008 -3.848 2.385 1.00 2.00 H new ATOM 0 HA PHE A 48 0.608 -3.973 4.103 1.00 2.38 H new ATOM 0 HB2 PHE A 48 -0.889 -4.211 2.322 1.00 2.00 H new ATOM 0 HB3 PHE A 48 0.022 -2.749 1.999 1.00 2.00 H new ATOM 0 HD1 PHE A 48 1.794 -2.772 0.218 1.00 2.00 H new ATOM 0 HD2 PHE A 48 -0.910 -6.028 0.768 1.00 2.00 H new ATOM 0 HE1 PHE A 48 2.258 -3.557 -2.052 1.00 2.00 H new ATOM 0 HE2 PHE A 48 -0.440 -6.810 -1.535 1.00 2.00 H new ATOM 0 HZ PHE A 48 1.147 -5.556 -2.944 1.00 2.20 H new ATOM 757 N MET A 49 0.676 -6.603 3.669 1.00 2.00 N ATOM 758 CA MET A 49 0.845 -8.046 3.489 1.00 2.02 C ATOM 759 C MET A 49 -0.055 -8.553 2.381 1.00 2.13 C ATOM 760 O MET A 49 -1.280 -8.315 2.393 1.00 2.11 O ATOM 761 CB MET A 49 0.503 -8.809 4.789 1.00 2.17 C ATOM 762 CG MET A 49 0.271 -10.339 4.704 1.00 2.67 C ATOM 763 SD MET A 49 0.172 -11.210 6.296 1.00 2.56 S ATOM 764 CE MET A 49 1.487 -10.461 7.168 1.00 2.40 C ATOM 0 H MET A 49 -0.077 -6.359 4.312 1.00 2.00 H new ATOM 0 HA MET A 49 1.889 -8.222 3.228 1.00 2.02 H new ATOM 0 HB2 MET A 49 1.311 -8.634 5.499 1.00 2.17 H new ATOM 0 HB3 MET A 49 -0.396 -8.360 5.212 1.00 2.17 H new ATOM 0 HG2 MET A 49 -0.653 -10.518 4.155 1.00 2.67 H new ATOM 0 HG3 MET A 49 1.079 -10.779 4.120 1.00 2.67 H new ATOM 0 HE1 MET A 49 1.774 -11.094 8.007 1.00 2.40 H new ATOM 0 HE2 MET A 49 2.340 -10.333 6.501 1.00 2.40 H new ATOM 0 HE3 MET A 49 1.169 -9.487 7.541 1.00 2.40 H new ATOM 774 N LEU A 50 0.581 -9.240 1.446 1.00 2.73 N ATOM 775 CA LEU A 50 -0.076 -9.867 0.346 1.00 2.85 C ATOM 776 C LEU A 50 -1.026 -10.944 0.834 1.00 3.08 C ATOM 777 O LEU A 50 -0.627 -11.833 1.586 1.00 2.26 O ATOM 778 CB LEU A 50 0.881 -10.606 -0.595 1.00 2.20 C ATOM 779 CG LEU A 50 1.163 -10.237 -2.015 1.00 2.52 C ATOM 780 CD1 LEU A 50 1.517 -11.571 -2.679 1.00 2.96 C ATOM 781 CD2 LEU A 50 0.009 -9.627 -2.739 1.00 2.66 C ATOM 0 H LEU A 50 1.593 -9.371 1.445 1.00 2.73 H new ATOM 0 HA LEU A 50 -0.575 -9.049 -0.174 1.00 2.85 H new ATOM 0 HB2 LEU A 50 1.848 -10.608 -0.092 1.00 2.20 H new ATOM 0 HB3 LEU A 50 0.533 -11.638 -0.621 1.00 2.20 H new ATOM 0 HG LEU A 50 1.945 -9.478 -2.049 1.00 2.52 H new ATOM 0 HD11 LEU A 50 1.742 -11.405 -3.732 1.00 2.96 H new ATOM 0 HD12 LEU A 50 2.388 -12.003 -2.186 1.00 2.96 H new ATOM 0 HD13 LEU A 50 0.674 -12.256 -2.592 1.00 2.96 H new ATOM 0 HD21 LEU A 50 0.304 -9.391 -3.761 1.00 2.66 H new ATOM 0 HD22 LEU A 50 -0.824 -10.330 -2.755 1.00 2.66 H new ATOM 0 HD23 LEU A 50 -0.298 -8.713 -2.230 1.00 2.66 H new ATOM 793 N GLY A 51 -2.272 -10.888 0.342 1.00 2.96 N ATOM 794 CA GLY A 51 -3.297 -11.872 0.624 1.00 2.36 C ATOM 795 C GLY A 51 -4.116 -11.570 1.855 1.00 4.78 C ATOM 796 O GLY A 51 -5.127 -12.226 2.101 1.00 4.95 O ATOM 0 H GLY A 51 -2.590 -10.139 -0.273 1.00 2.96 H new ATOM 0 HA2 GLY A 51 -3.964 -11.943 -0.235 1.00 2.36 H new ATOM 0 HA3 GLY A 51 -2.826 -12.848 0.744 1.00 2.36 H new ATOM 800 N LYS A 52 -3.791 -10.523 2.596 1.00 3.99 N ATOM 801 CA LYS A 52 -4.536 -10.210 3.783 1.00 4.41 C ATOM 802 C LYS A 52 -5.811 -9.390 3.541 1.00 6.54 C ATOM 803 O LYS A 52 -6.556 -9.099 4.465 1.00 6.39 O ATOM 804 CB LYS A 52 -3.629 -9.477 4.649 1.00 5.08 C ATOM 805 CG LYS A 52 -3.918 -9.559 6.134 1.00 4.53 C ATOM 806 CD LYS A 52 -2.995 -8.444 6.538 1.00 6.87 C ATOM 807 CE LYS A 52 -2.826 -8.378 7.977 1.00 7.65 C ATOM 808 NZ LYS A 52 -2.223 -7.101 8.302 1.00 10.26 N ATOM 0 H LYS A 52 -3.021 -9.886 2.391 1.00 3.99 H new ATOM 0 HA LYS A 52 -4.891 -11.142 4.224 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.617 -9.843 4.475 1.00 5.08 H new ATOM 0 HB3 LYS A 52 -3.644 -8.428 4.353 1.00 5.08 H new ATOM 0 HG2 LYS A 52 -4.962 -9.369 6.383 1.00 4.53 H new ATOM 0 HG3 LYS A 52 -3.655 -10.521 6.574 1.00 4.53 H new ATOM 0 HD2 LYS A 52 -2.024 -8.587 6.064 1.00 6.87 H new ATOM 0 HD3 LYS A 52 -3.390 -7.495 6.175 1.00 6.87 H new ATOM 0 HE2 LYS A 52 -3.788 -8.483 8.478 1.00 7.65 H new ATOM 0 HE3 LYS A 52 -2.195 -9.196 8.324 1.00 7.65 H new ATOM 0 HZ1 LYS A 52 -2.453 -6.848 9.284 1.00 10.26 H new ATOM 0 HZ2 LYS A 52 -1.191 -7.167 8.194 1.00 10.26 H new ATOM 0 HZ3 LYS A 52 -2.592 -6.370 7.661 1.00 10.26 H new ATOM 822 N GLN A 53 -6.093 -8.987 2.307 1.00 5.52 N ATOM 823 CA GLN A 53 -7.281 -8.220 1.946 1.00 7.26 C ATOM 824 C GLN A 53 -7.329 -6.832 2.572 1.00 6.71 C ATOM 825 O GLN A 53 -8.379 -6.361 3.020 1.00 7.22 O ATOM 826 CB GLN A 53 -8.547 -8.959 2.353 1.00 6.90 C ATOM 827 CG GLN A 53 -8.846 -10.236 1.618 1.00 8.41 C ATOM 828 CD GLN A 53 -9.808 -11.087 2.432 1.00 8.08 C ATOM 829 OE1 GLN A 53 -10.794 -10.631 3.015 1.00 7.07 O ATOM 830 NE2 GLN A 53 -9.517 -12.382 2.474 1.00 10.24 N ATOM 0 H GLN A 53 -5.488 -9.189 1.511 1.00 5.52 H new ATOM 0 HA GLN A 53 -7.223 -8.103 0.864 1.00 7.26 H new ATOM 0 HB2 GLN A 53 -8.482 -9.185 3.417 1.00 6.90 H new ATOM 0 HB3 GLN A 53 -9.393 -8.284 2.222 1.00 6.90 H new ATOM 0 HG2 GLN A 53 -9.280 -10.012 0.643 1.00 8.41 H new ATOM 0 HG3 GLN A 53 -7.923 -10.787 1.437 1.00 8.41 H new ATOM 0 HE21 GLN A 53 -8.696 -12.736 1.984 1.00 10.24 H new ATOM 0 HE22 GLN A 53 -10.115 -13.022 2.997 1.00 10.24 H new ATOM 839 N GLU A 54 -6.176 -6.161 2.633 1.00 3.31 N ATOM 840 CA GLU A 54 -6.168 -4.827 3.180 1.00 4.11 C ATOM 841 C GLU A 54 -5.819 -3.729 2.181 1.00 2.44 C ATOM 842 O GLU A 54 -5.752 -2.577 2.568 1.00 2.19 O ATOM 843 CB GLU A 54 -5.219 -4.764 4.327 1.00 6.18 C ATOM 844 CG GLU A 54 -3.769 -5.101 3.989 1.00 7.49 C ATOM 845 CD GLU A 54 -2.855 -5.020 5.202 1.00 8.80 C ATOM 846 OE1 GLU A 54 -3.344 -4.749 6.304 1.00 10.56 O ATOM 847 OE2 GLU A 54 -1.659 -5.250 5.063 1.00 3.57 O ATOM 0 H GLU A 54 -5.272 -6.514 2.319 1.00 3.31 H new ATOM 0 HA GLU A 54 -7.193 -4.633 3.495 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -5.253 -3.761 4.751 1.00 6.18 H new ATOM 0 HB3 GLU A 54 -5.564 -5.449 5.101 1.00 6.18 H new ATOM 0 HG2 GLU A 54 -3.721 -6.105 3.568 1.00 7.49 H new ATOM 0 HG3 GLU A 54 -3.410 -4.416 3.221 1.00 7.49 H new ATOM 854 N VAL A 55 -5.544 -4.079 0.935 1.00 2.00 N ATOM 855 CA VAL A 55 -5.364 -3.128 -0.144 1.00 2.05 C ATOM 856 C VAL A 55 -6.381 -3.463 -1.246 1.00 2.45 C ATOM 857 O VAL A 55 -7.096 -4.488 -1.172 1.00 2.43 O ATOM 858 CB VAL A 55 -3.925 -3.188 -0.726 1.00 2.04 C ATOM 859 CG1 VAL A 55 -3.042 -2.506 0.297 1.00 2.03 C ATOM 860 CG2 VAL A 55 -3.483 -4.619 -1.071 1.00 2.00 C ATOM 0 H VAL A 55 -5.438 -5.050 0.642 1.00 2.00 H new ATOM 0 HA VAL A 55 -5.519 -2.120 0.240 1.00 2.05 H new ATOM 0 HB VAL A 55 -3.861 -2.675 -1.685 1.00 2.04 H new ATOM 0 HG11 VAL A 55 -2.009 -2.513 -0.051 1.00 2.03 H new ATOM 0 HG12 VAL A 55 -3.372 -1.476 0.434 1.00 2.03 H new ATOM 0 HG13 VAL A 55 -3.108 -3.037 1.247 1.00 2.03 H new ATOM 0 HG21 VAL A 55 -2.470 -4.600 -1.473 1.00 2.00 H new ATOM 0 HG22 VAL A 55 -3.504 -5.233 -0.171 1.00 2.00 H new ATOM 0 HG23 VAL A 55 -4.161 -5.040 -1.814 1.00 2.00 H new ATOM 870 N ILE A 56 -6.488 -2.617 -2.271 1.00 2.91 N ATOM 871 CA ILE A 56 -7.449 -2.844 -3.325 1.00 2.47 C ATOM 872 C ILE A 56 -7.000 -4.028 -4.194 1.00 2.36 C ATOM 873 O ILE A 56 -5.793 -4.347 -4.343 1.00 2.00 O ATOM 874 CB ILE A 56 -7.669 -1.526 -4.219 1.00 4.27 C ATOM 875 CG1 ILE A 56 -6.355 -0.871 -4.662 1.00 5.57 C ATOM 876 CG2 ILE A 56 -8.488 -0.526 -3.391 1.00 3.68 C ATOM 877 CD1 ILE A 56 -6.470 0.202 -5.779 1.00 5.31 C ATOM 0 H ILE A 56 -5.921 -1.777 -2.384 1.00 2.91 H new ATOM 0 HA ILE A 56 -8.408 -3.085 -2.867 1.00 2.47 H new ATOM 0 HB ILE A 56 -8.189 -1.819 -5.131 1.00 4.27 H new ATOM 0 HG12 ILE A 56 -5.890 -0.411 -3.790 1.00 5.57 H new ATOM 0 HG13 ILE A 56 -5.680 -1.654 -5.007 1.00 5.57 H new ATOM 0 HG21 ILE A 56 -8.653 0.380 -3.974 1.00 3.68 H new ATOM 0 HG22 ILE A 56 -9.449 -0.970 -3.131 1.00 3.68 H new ATOM 0 HG23 ILE A 56 -7.945 -0.277 -2.480 1.00 3.68 H new ATOM 0 HD11 ILE A 56 -5.480 0.595 -6.010 1.00 5.31 H new ATOM 0 HD12 ILE A 56 -6.899 -0.249 -6.674 1.00 5.31 H new ATOM 0 HD13 ILE A 56 -7.112 1.014 -5.439 1.00 5.31 H new ATOM 889 N ARG A 57 -8.010 -4.697 -4.789 1.00 3.25 N ATOM 890 CA ARG A 57 -7.758 -5.906 -5.586 1.00 4.24 C ATOM 891 C ARG A 57 -6.769 -5.710 -6.734 1.00 2.00 C ATOM 892 O ARG A 57 -6.003 -6.617 -6.998 1.00 2.00 O ATOM 893 CB ARG A 57 -9.116 -6.439 -6.143 1.00 6.66 C ATOM 894 CG ARG A 57 -8.969 -7.724 -6.942 1.00 10.53 C ATOM 895 CD ARG A 57 -10.274 -8.322 -7.473 1.00 14.34 C ATOM 896 NE ARG A 57 -9.856 -9.521 -8.210 1.00 15.24 N ATOM 897 CZ ARG A 57 -10.646 -10.298 -8.969 1.00 17.74 C ATOM 898 NH1 ARG A 57 -11.959 -10.080 -9.148 1.00 18.93 N ATOM 899 NH2 ARG A 57 -10.063 -11.347 -9.574 1.00 19.11 N ATOM 0 H ARG A 57 -8.991 -4.423 -4.732 1.00 3.25 H new ATOM 0 HA ARG A 57 -7.292 -6.628 -4.916 1.00 4.24 H new ATOM 0 HB2 ARG A 57 -9.800 -6.611 -5.312 1.00 6.66 H new ATOM 0 HB3 ARG A 57 -9.568 -5.675 -6.775 1.00 6.66 H new ATOM 0 HG2 ARG A 57 -8.307 -7.533 -7.787 1.00 10.53 H new ATOM 0 HG3 ARG A 57 -8.478 -8.468 -6.314 1.00 10.53 H new ATOM 0 HD2 ARG A 57 -10.955 -8.573 -6.660 1.00 14.34 H new ATOM 0 HD3 ARG A 57 -10.797 -7.620 -8.122 1.00 14.34 H new ATOM 0 HE ARG A 57 -8.874 -9.789 -8.139 1.00 15.24 H new ATOM 0 HH11 ARG A 57 -12.411 -9.286 -8.694 1.00 18.93 H new ATOM 0 HH12 ARG A 57 -12.505 -10.708 -9.738 1.00 18.93 H new ATOM 0 HH21 ARG A 57 -9.066 -11.521 -9.445 1.00 19.11 H new ATOM 0 HH22 ARG A 57 -10.617 -11.969 -10.162 1.00 19.11 H new ATOM 913 N GLY A 58 -6.691 -4.601 -7.441 1.00 2.00 N ATOM 914 CA GLY A 58 -5.708 -4.426 -8.490 1.00 2.00 C ATOM 915 C GLY A 58 -4.270 -4.378 -7.943 1.00 2.93 C ATOM 916 O GLY A 58 -3.329 -4.661 -8.705 1.00 2.06 O ATOM 0 H GLY A 58 -7.305 -3.798 -7.305 1.00 2.00 H new ATOM 0 HA2 GLY A 58 -5.795 -5.243 -9.206 1.00 2.00 H new ATOM 0 HA3 GLY A 58 -5.919 -3.504 -9.032 1.00 2.00 H new ATOM 920 N TRP A 59 -4.081 -4.016 -6.654 1.00 2.66 N ATOM 921 CA TRP A 59 -2.764 -4.074 -5.988 1.00 2.01 C ATOM 922 C TRP A 59 -2.360 -5.522 -5.654 1.00 4.56 C ATOM 923 O TRP A 59 -1.292 -5.988 -6.107 1.00 3.85 O ATOM 924 CB TRP A 59 -2.776 -3.230 -4.696 1.00 2.42 C ATOM 925 CG TRP A 59 -2.217 -1.833 -4.933 1.00 3.74 C ATOM 926 CD1 TRP A 59 -2.750 -0.972 -5.876 1.00 2.71 C ATOM 927 CD2 TRP A 59 -1.123 -1.286 -4.286 1.00 5.38 C ATOM 928 NE1 TRP A 59 -1.992 0.106 -5.823 1.00 4.59 N ATOM 929 CE2 TRP A 59 -1.016 -0.043 -4.899 1.00 4.49 C ATOM 930 CE3 TRP A 59 -0.236 -1.689 -3.289 1.00 4.69 C ATOM 931 CZ2 TRP A 59 -0.018 0.826 -4.522 1.00 6.46 C ATOM 932 CZ3 TRP A 59 0.757 -0.823 -2.922 1.00 6.70 C ATOM 933 CH2 TRP A 59 0.862 0.415 -3.530 1.00 7.96 C ATOM 0 H TRP A 59 -4.832 -3.678 -6.052 1.00 2.66 H new ATOM 0 HA TRP A 59 -2.030 -3.666 -6.683 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -3.796 -3.155 -4.319 1.00 2.42 H new ATOM 0 HB3 TRP A 59 -2.188 -3.732 -3.927 1.00 2.42 H new ATOM 0 HD1 TRP A 59 -3.602 -1.145 -6.517 1.00 2.71 H new ATOM 0 HE1 TRP A 59 -2.124 0.937 -6.399 1.00 4.59 H new ATOM 0 HE3 TRP A 59 -0.330 -2.657 -2.820 1.00 4.69 H new ATOM 0 HZ2 TRP A 59 0.078 1.798 -4.984 1.00 6.46 H new ATOM 0 HZ3 TRP A 59 1.462 -1.107 -2.155 1.00 6.70 H new ATOM 0 HH2 TRP A 59 1.653 1.083 -3.223 1.00 7.96 H new ATOM 944 N GLU A 60 -3.191 -6.295 -4.929 1.00 5.21 N ATOM 945 CA GLU A 60 -2.950 -7.730 -4.668 1.00 6.47 C ATOM 946 C GLU A 60 -2.538 -8.471 -5.946 1.00 6.41 C ATOM 947 O GLU A 60 -1.633 -9.328 -5.995 1.00 4.95 O ATOM 948 CB GLU A 60 -4.220 -8.470 -4.172 1.00 8.59 C ATOM 949 CG GLU A 60 -4.946 -7.953 -2.926 1.00 12.19 C ATOM 950 CD GLU A 60 -4.395 -8.400 -1.566 1.00 14.08 C ATOM 951 OE1 GLU A 60 -3.188 -8.317 -1.355 1.00 15.05 O ATOM 952 OE2 GLU A 60 -5.171 -8.815 -0.706 1.00 12.54 O ATOM 0 H GLU A 60 -4.050 -5.943 -4.506 1.00 5.21 H new ATOM 0 HA GLU A 60 -2.167 -7.742 -3.910 1.00 6.47 H new ATOM 0 HB2 GLU A 60 -4.938 -8.475 -4.992 1.00 8.59 H new ATOM 0 HB3 GLU A 60 -3.943 -9.507 -3.984 1.00 8.59 H new ATOM 0 HG2 GLU A 60 -4.935 -6.863 -2.955 1.00 12.19 H new ATOM 0 HG3 GLU A 60 -5.989 -8.263 -2.988 1.00 12.19 H new ATOM 959 N GLU A 61 -3.265 -8.168 -7.024 1.00 5.65 N ATOM 960 CA GLU A 61 -3.000 -8.782 -8.318 1.00 6.52 C ATOM 961 C GLU A 61 -1.822 -8.194 -9.048 1.00 5.27 C ATOM 962 O GLU A 61 -1.077 -8.927 -9.708 1.00 3.77 O ATOM 963 CB GLU A 61 -4.231 -8.654 -9.207 1.00 9.22 C ATOM 964 CG GLU A 61 -5.481 -9.267 -8.557 1.00 14.36 C ATOM 965 CD GLU A 61 -5.975 -10.545 -9.226 1.00 19.08 C ATOM 966 OE1 GLU A 61 -5.369 -11.590 -8.991 1.00 20.27 O ATOM 967 OE2 GLU A 61 -6.936 -10.475 -9.999 1.00 17.50 O ATOM 0 H GLU A 61 -4.038 -7.503 -7.022 1.00 5.65 H new ATOM 0 HA GLU A 61 -2.759 -9.824 -8.109 1.00 6.52 H new ATOM 0 HB2 GLU A 61 -4.414 -7.601 -9.422 1.00 9.22 H new ATOM 0 HB3 GLU A 61 -4.041 -9.146 -10.161 1.00 9.22 H new ATOM 0 HG2 GLU A 61 -5.264 -9.480 -7.510 1.00 14.36 H new ATOM 0 HG3 GLU A 61 -6.283 -8.529 -8.573 1.00 14.36 H new ATOM 974 N GLY A 62 -1.584 -6.890 -8.940 1.00 2.00 N ATOM 975 CA GLY A 62 -0.532 -6.297 -9.711 1.00 2.02 C ATOM 976 C GLY A 62 0.839 -6.410 -9.095 1.00 2.26 C ATOM 977 O GLY A 62 1.839 -6.751 -9.757 1.00 4.04 O ATOM 0 H GLY A 62 -2.100 -6.249 -8.337 1.00 2.00 H new ATOM 0 HA2 GLY A 62 -0.513 -6.765 -10.695 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -0.761 -5.242 -9.863 1.00 2.02 H new ATOM 981 N VAL A 63 0.930 -6.123 -7.813 1.00 2.35 N ATOM 982 CA VAL A 63 2.207 -6.201 -7.169 1.00 3.82 C ATOM 983 C VAL A 63 2.668 -7.680 -7.114 1.00 3.38 C ATOM 984 O VAL A 63 3.871 -7.957 -7.191 1.00 2.43 O ATOM 985 CB VAL A 63 2.074 -5.507 -5.773 1.00 3.21 C ATOM 986 CG1 VAL A 63 3.413 -5.648 -5.053 1.00 2.73 C ATOM 987 CG2 VAL A 63 1.856 -3.969 -5.901 1.00 5.35 C ATOM 0 H VAL A 63 0.152 -5.841 -7.216 1.00 2.35 H new ATOM 0 HA VAL A 63 2.988 -5.676 -7.719 1.00 3.82 H new ATOM 0 HB VAL A 63 1.232 -5.969 -5.258 1.00 3.21 H new ATOM 0 HG11 VAL A 63 3.352 -5.173 -4.074 1.00 2.73 H new ATOM 0 HG12 VAL A 63 3.650 -6.705 -4.929 1.00 2.73 H new ATOM 0 HG13 VAL A 63 4.195 -5.167 -5.641 1.00 2.73 H new ATOM 0 HG21 VAL A 63 1.769 -3.530 -4.907 1.00 5.35 H new ATOM 0 HG22 VAL A 63 2.704 -3.523 -6.422 1.00 5.35 H new ATOM 0 HG23 VAL A 63 0.943 -3.777 -6.464 1.00 5.35 H new ATOM 997 N ALA A 64 1.779 -8.681 -7.099 1.00 2.32 N ATOM 998 CA ALA A 64 2.201 -10.070 -7.125 1.00 2.00 C ATOM 999 C ALA A 64 2.928 -10.432 -8.419 1.00 2.06 C ATOM 1000 O ALA A 64 3.704 -11.383 -8.469 1.00 3.03 O ATOM 1001 CB ALA A 64 1.029 -11.003 -7.001 1.00 2.22 C ATOM 0 H ALA A 64 0.768 -8.547 -7.069 1.00 2.32 H new ATOM 0 HA ALA A 64 2.876 -10.182 -6.277 1.00 2.00 H new ATOM 0 HB1 ALA A 64 1.381 -12.034 -7.024 1.00 2.22 H new ATOM 0 HB2 ALA A 64 0.514 -10.816 -6.059 1.00 2.22 H new ATOM 0 HB3 ALA A 64 0.341 -10.836 -7.830 1.00 2.22 H new ATOM 1007 N GLN A 65 2.742 -9.613 -9.465 1.00 2.11 N ATOM 1008 CA GLN A 65 3.439 -9.785 -10.716 1.00 2.06 C ATOM 1009 C GLN A 65 4.800 -9.151 -10.722 1.00 2.00 C ATOM 1010 O GLN A 65 5.473 -9.231 -11.734 1.00 2.00 O ATOM 1011 CB GLN A 65 2.626 -9.192 -11.852 1.00 2.23 C ATOM 1012 CG GLN A 65 1.438 -10.137 -12.154 1.00 2.09 C ATOM 1013 CD GLN A 65 0.507 -9.514 -13.192 1.00 3.49 C ATOM 1014 OE1 GLN A 65 0.828 -9.433 -14.368 1.00 3.09 O ATOM 1015 NE2 GLN A 65 -0.637 -8.992 -12.809 1.00 2.33 N ATOM 0 H GLN A 65 2.102 -8.819 -9.452 1.00 2.11 H new ATOM 0 HA GLN A 65 3.569 -10.859 -10.848 1.00 2.06 H new ATOM 0 HB2 GLN A 65 2.262 -8.201 -11.580 1.00 2.23 H new ATOM 0 HB3 GLN A 65 3.248 -9.070 -12.739 1.00 2.23 H new ATOM 0 HG2 GLN A 65 1.811 -11.094 -12.520 1.00 2.09 H new ATOM 0 HG3 GLN A 65 0.885 -10.340 -11.237 1.00 2.09 H new ATOM 0 HE21 GLN A 65 -0.922 -9.050 -11.831 1.00 2.33 H new ATOM 0 HE22 GLN A 65 -1.240 -8.529 -13.489 1.00 2.33 H new ATOM 1024 N MET A 66 5.258 -8.518 -9.654 1.00 2.34 N ATOM 1025 CA MET A 66 6.485 -7.750 -9.688 1.00 2.31 C ATOM 1026 C MET A 66 7.562 -8.487 -8.926 1.00 2.15 C ATOM 1027 O MET A 66 7.274 -9.138 -7.933 1.00 2.00 O ATOM 1028 CB MET A 66 6.299 -6.400 -9.049 1.00 2.00 C ATOM 1029 CG MET A 66 5.240 -5.575 -9.781 1.00 2.45 C ATOM 1030 SD MET A 66 4.867 -3.981 -8.998 1.00 3.75 S ATOM 1031 CE MET A 66 6.489 -3.215 -9.148 1.00 2.08 C ATOM 0 H MET A 66 4.791 -8.524 -8.747 1.00 2.34 H new ATOM 0 HA MET A 66 6.768 -7.617 -10.732 1.00 2.31 H new ATOM 0 HB2 MET A 66 6.007 -6.527 -8.007 1.00 2.00 H new ATOM 0 HB3 MET A 66 7.247 -5.862 -9.051 1.00 2.00 H new ATOM 0 HG2 MET A 66 5.577 -5.396 -10.802 1.00 2.45 H new ATOM 0 HG3 MET A 66 4.322 -6.159 -9.846 1.00 2.45 H new ATOM 0 HE1 MET A 66 6.372 -2.168 -9.429 1.00 2.08 H new ATOM 0 HE2 MET A 66 7.011 -3.278 -8.193 1.00 2.08 H new ATOM 0 HE3 MET A 66 7.067 -3.734 -9.913 1.00 2.08 H new ATOM 1041 N SER A 67 8.803 -8.418 -9.416 1.00 2.30 N ATOM 1042 CA SER A 67 9.965 -8.965 -8.742 1.00 2.08 C ATOM 1043 C SER A 67 10.647 -7.874 -7.919 1.00 2.00 C ATOM 1044 O SER A 67 10.527 -6.697 -8.276 1.00 2.00 O ATOM 1045 CB SER A 67 10.913 -9.512 -9.777 1.00 2.00 C ATOM 1046 OG SER A 67 11.177 -8.682 -10.901 1.00 2.05 O ATOM 0 H SER A 67 9.023 -7.972 -10.306 1.00 2.30 H new ATOM 0 HA SER A 67 9.663 -9.766 -8.068 1.00 2.08 H new ATOM 0 HB2 SER A 67 11.861 -9.734 -9.287 1.00 2.00 H new ATOM 0 HB3 SER A 67 10.512 -10.459 -10.139 1.00 2.00 H new ATOM 0 HG SER A 67 11.215 -9.231 -11.712 1.00 2.05 H new ATOM 1052 N VAL A 68 11.384 -8.201 -6.871 1.00 2.00 N ATOM 1053 CA VAL A 68 12.051 -7.204 -6.056 1.00 2.47 C ATOM 1054 C VAL A 68 12.979 -6.371 -6.923 1.00 2.15 C ATOM 1055 O VAL A 68 13.736 -6.889 -7.756 1.00 2.01 O ATOM 1056 CB VAL A 68 12.835 -7.900 -4.912 1.00 2.10 C ATOM 1057 CG1 VAL A 68 13.653 -6.895 -4.088 1.00 2.14 C ATOM 1058 CG2 VAL A 68 11.834 -8.650 -4.089 1.00 2.00 C ATOM 0 H VAL A 68 11.536 -9.162 -6.563 1.00 2.00 H new ATOM 0 HA VAL A 68 11.310 -6.541 -5.609 1.00 2.47 H new ATOM 0 HB VAL A 68 13.574 -8.594 -5.314 1.00 2.10 H new ATOM 0 HG11 VAL A 68 14.187 -7.422 -3.297 1.00 2.14 H new ATOM 0 HG12 VAL A 68 14.370 -6.391 -4.736 1.00 2.14 H new ATOM 0 HG13 VAL A 68 12.984 -6.158 -3.645 1.00 2.14 H new ATOM 0 HG21 VAL A 68 12.343 -9.157 -3.269 1.00 2.00 H new ATOM 0 HG22 VAL A 68 11.100 -7.953 -3.684 1.00 2.00 H new ATOM 0 HG23 VAL A 68 11.329 -9.387 -4.713 1.00 2.00 H new ATOM 1068 N GLY A 69 12.820 -5.061 -6.759 1.00 2.40 N ATOM 1069 CA GLY A 69 13.586 -4.058 -7.456 1.00 2.09 C ATOM 1070 C GLY A 69 12.806 -3.383 -8.577 1.00 2.24 C ATOM 1071 O GLY A 69 13.249 -2.348 -9.098 1.00 2.61 O ATOM 0 H GLY A 69 12.132 -4.667 -6.117 1.00 2.40 H new ATOM 0 HA2 GLY A 69 13.916 -3.301 -6.744 1.00 2.09 H new ATOM 0 HA3 GLY A 69 14.483 -4.518 -7.871 1.00 2.09 H new ATOM 1075 N GLN A 70 11.648 -3.948 -8.957 1.00 2.82 N ATOM 1076 CA GLN A 70 10.966 -3.473 -10.117 1.00 2.29 C ATOM 1077 C GLN A 70 10.094 -2.288 -9.827 1.00 2.00 C ATOM 1078 O GLN A 70 9.586 -2.111 -8.730 1.00 2.00 O ATOM 1079 CB GLN A 70 10.183 -4.611 -10.670 1.00 4.50 C ATOM 1080 CG GLN A 70 9.685 -4.383 -12.082 1.00 5.27 C ATOM 1081 CD GLN A 70 8.740 -5.488 -12.579 1.00 4.45 C ATOM 1082 OE1 GLN A 70 8.034 -5.348 -13.582 1.00 6.53 O ATOM 1083 NE2 GLN A 70 8.715 -6.649 -11.950 1.00 2.24 N ATOM 0 H GLN A 70 11.191 -4.720 -8.471 1.00 2.82 H new ATOM 0 HA GLN A 70 11.692 -3.119 -10.849 1.00 2.29 H new ATOM 0 HB2 GLN A 70 10.803 -5.508 -10.654 1.00 4.50 H new ATOM 0 HB3 GLN A 70 9.329 -4.802 -10.020 1.00 4.50 H new ATOM 0 HG2 GLN A 70 9.168 -3.425 -12.127 1.00 5.27 H new ATOM 0 HG3 GLN A 70 10.540 -4.316 -12.755 1.00 5.27 H new ATOM 0 HE21 GLN A 70 9.289 -6.791 -11.119 1.00 2.24 H new ATOM 0 HE22 GLN A 70 8.122 -7.404 -12.295 1.00 2.24 H new ATOM 1092 N ARG A 71 10.051 -1.409 -10.820 1.00 4.23 N ATOM 1093 CA ARG A 71 9.250 -0.185 -10.772 1.00 3.45 C ATOM 1094 C ARG A 71 8.383 -0.307 -12.009 1.00 2.00 C ATOM 1095 O ARG A 71 8.894 -0.623 -13.093 1.00 2.00 O ATOM 1096 CB ARG A 71 10.127 1.061 -10.841 1.00 2.11 C ATOM 1097 CG ARG A 71 9.240 2.332 -10.796 1.00 5.11 C ATOM 1098 CD ARG A 71 10.069 3.484 -10.257 1.00 8.54 C ATOM 1099 NE ARG A 71 9.327 4.730 -10.396 1.00 9.92 N ATOM 1100 CZ ARG A 71 9.836 5.896 -10.019 1.00 11.22 C ATOM 1101 NH1 ARG A 71 11.079 6.002 -9.484 1.00 12.09 N ATOM 1102 NH2 ARG A 71 9.070 6.974 -10.169 1.00 12.36 N ATOM 0 H ARG A 71 10.573 -1.523 -11.689 1.00 4.23 H new ATOM 0 HA ARG A 71 8.681 -0.082 -9.848 1.00 3.45 H new ATOM 0 HB2 ARG A 71 10.831 1.068 -10.009 1.00 2.11 H new ATOM 0 HB3 ARG A 71 10.717 1.051 -11.757 1.00 2.11 H new ATOM 0 HG2 ARG A 71 8.867 2.568 -11.793 1.00 5.11 H new ATOM 0 HG3 ARG A 71 8.370 2.163 -10.162 1.00 5.11 H new ATOM 0 HD2 ARG A 71 10.313 3.310 -9.209 1.00 8.54 H new ATOM 0 HD3 ARG A 71 11.013 3.549 -10.798 1.00 8.54 H new ATOM 0 HE ARG A 71 8.389 4.705 -10.795 1.00 9.92 H new ATOM 0 HH11 ARG A 71 11.654 5.169 -9.361 1.00 12.09 H new ATOM 0 HH12 ARG A 71 11.438 6.915 -9.205 1.00 12.09 H new ATOM 0 HH21 ARG A 71 8.132 6.883 -10.560 1.00 12.36 H new ATOM 0 HH22 ARG A 71 9.420 7.891 -9.893 1.00 12.36 H new ATOM 1116 N ALA A 72 7.078 -0.236 -11.737 1.00 2.87 N ATOM 1117 CA ALA A 72 6.050 -0.393 -12.750 1.00 2.85 C ATOM 1118 C ALA A 72 4.835 0.517 -12.561 1.00 3.85 C ATOM 1119 O ALA A 72 4.569 1.052 -11.471 1.00 5.84 O ATOM 1120 CB ALA A 72 5.551 -1.829 -12.777 1.00 2.19 C ATOM 0 H ALA A 72 6.710 -0.067 -10.801 1.00 2.87 H new ATOM 0 HA ALA A 72 6.533 -0.112 -13.686 1.00 2.85 H new ATOM 0 HB1 ALA A 72 4.781 -1.932 -13.541 1.00 2.19 H new ATOM 0 HB2 ALA A 72 6.381 -2.498 -13.005 1.00 2.19 H new ATOM 0 HB3 ALA A 72 5.134 -2.088 -11.804 1.00 2.19 H new ATOM 1126 N LYS A 73 4.127 0.766 -13.650 1.00 5.73 N ATOM 1127 CA LYS A 73 2.886 1.516 -13.651 1.00 4.79 C ATOM 1128 C LYS A 73 1.722 0.532 -13.734 1.00 5.06 C ATOM 1129 O LYS A 73 1.590 -0.288 -14.643 1.00 4.43 O ATOM 1130 CB LYS A 73 2.940 2.434 -14.836 1.00 7.22 C ATOM 1131 CG LYS A 73 1.771 3.387 -15.019 1.00 9.20 C ATOM 1132 CD LYS A 73 1.997 3.828 -16.439 1.00 11.07 C ATOM 1133 CE LYS A 73 0.969 4.803 -16.944 1.00 14.75 C ATOM 1134 NZ LYS A 73 1.064 4.916 -18.411 1.00 16.57 N ATOM 0 H LYS A 73 4.407 0.445 -14.577 1.00 5.73 H new ATOM 0 HA LYS A 73 2.747 2.106 -12.745 1.00 4.79 H new ATOM 0 HB2 LYS A 73 3.853 3.026 -14.766 1.00 7.22 H new ATOM 0 HB3 LYS A 73 3.024 1.823 -15.735 1.00 7.22 H new ATOM 0 HG2 LYS A 73 0.809 2.893 -14.887 1.00 9.20 H new ATOM 0 HG3 LYS A 73 1.801 4.220 -14.316 1.00 9.20 H new ATOM 0 HD2 LYS A 73 2.984 4.284 -16.515 1.00 11.07 H new ATOM 0 HD3 LYS A 73 2.000 2.951 -17.086 1.00 11.07 H new ATOM 0 HE2 LYS A 73 -0.030 4.472 -16.660 1.00 14.75 H new ATOM 0 HE3 LYS A 73 1.124 5.779 -16.484 1.00 14.75 H new ATOM 0 HZ1 LYS A 73 0.259 5.469 -18.769 1.00 16.57 H new ATOM 0 HZ2 LYS A 73 1.952 5.393 -18.666 1.00 16.57 H new ATOM 0 HZ3 LYS A 73 1.047 3.966 -18.834 1.00 16.57 H new ATOM 1148 N LEU A 74 0.820 0.566 -12.771 1.00 5.22 N ATOM 1149 CA LEU A 74 -0.289 -0.349 -12.688 1.00 4.39 C ATOM 1150 C LEU A 74 -1.529 0.428 -13.087 1.00 3.32 C ATOM 1151 O LEU A 74 -1.837 1.412 -12.400 1.00 4.92 O ATOM 1152 CB LEU A 74 -0.304 -0.843 -11.231 1.00 5.27 C ATOM 1153 CG LEU A 74 0.317 -2.217 -10.813 1.00 5.86 C ATOM 1154 CD1 LEU A 74 1.592 -2.534 -11.596 1.00 2.84 C ATOM 1155 CD2 LEU A 74 0.472 -2.172 -9.299 1.00 5.61 C ATOM 0 H LEU A 74 0.844 1.247 -12.012 1.00 5.22 H new ATOM 0 HA LEU A 74 -0.229 -1.216 -13.345 1.00 4.39 H new ATOM 0 HB2 LEU A 74 0.195 -0.079 -10.635 1.00 5.27 H new ATOM 0 HB3 LEU A 74 -1.347 -0.861 -10.916 1.00 5.27 H new ATOM 0 HG LEU A 74 -0.329 -3.057 -11.071 1.00 5.86 H new ATOM 0 HD11 LEU A 74 1.988 -3.497 -11.273 1.00 2.84 H new ATOM 0 HD12 LEU A 74 1.364 -2.575 -12.661 1.00 2.84 H new ATOM 0 HD13 LEU A 74 2.334 -1.757 -11.413 1.00 2.84 H new ATOM 0 HD21 LEU A 74 0.903 -3.110 -8.949 1.00 5.61 H new ATOM 0 HD22 LEU A 74 1.129 -1.346 -9.025 1.00 5.61 H new ATOM 0 HD23 LEU A 74 -0.505 -2.027 -8.837 1.00 5.61 H new ATOM 1167 N THR A 75 -2.209 0.127 -14.195 1.00 2.21 N ATOM 1168 CA THR A 75 -3.463 0.826 -14.543 1.00 3.18 C ATOM 1169 C THR A 75 -4.605 -0.105 -14.084 1.00 5.53 C ATOM 1170 O THR A 75 -4.667 -1.262 -14.544 1.00 2.15 O ATOM 1171 CB THR A 75 -3.474 1.061 -16.067 1.00 4.54 C ATOM 1172 OG1 THR A 75 -2.307 1.823 -16.331 1.00 5.76 O ATOM 1173 CG2 THR A 75 -4.714 1.764 -16.573 1.00 3.49 C ATOM 0 H THR A 75 -1.923 -0.587 -14.865 1.00 2.21 H new ATOM 0 HA THR A 75 -3.570 1.799 -14.064 1.00 3.18 H new ATOM 0 HB THR A 75 -3.485 0.106 -16.593 1.00 4.54 H new ATOM 0 HG1 THR A 75 -1.560 1.220 -16.527 1.00 5.76 H new ATOM 0 HG21 THR A 75 -4.645 1.892 -17.653 1.00 3.49 H new ATOM 0 HG22 THR A 75 -5.594 1.167 -16.334 1.00 3.49 H new ATOM 0 HG23 THR A 75 -4.798 2.741 -16.097 1.00 3.49 H new ATOM 1181 N ILE A 76 -5.469 0.373 -13.182 1.00 2.00 N ATOM 1182 CA ILE A 76 -6.421 -0.457 -12.477 1.00 2.17 C ATOM 1183 C ILE A 76 -7.836 0.037 -12.803 1.00 2.90 C ATOM 1184 O ILE A 76 -8.144 1.229 -12.600 1.00 3.36 O ATOM 1185 CB ILE A 76 -6.164 -0.336 -10.950 1.00 2.04 C ATOM 1186 CG1 ILE A 76 -4.702 -0.652 -10.650 1.00 2.00 C ATOM 1187 CG2 ILE A 76 -7.156 -1.190 -10.184 1.00 2.00 C ATOM 1188 CD1 ILE A 76 -4.298 -0.515 -9.187 1.00 2.00 C ATOM 0 H ILE A 76 -5.518 1.359 -12.926 1.00 2.00 H new ATOM 0 HA ILE A 76 -6.315 -1.499 -12.780 1.00 2.17 H new ATOM 0 HB ILE A 76 -6.331 0.686 -10.611 1.00 2.04 H new ATOM 0 HG12 ILE A 76 -4.493 -1.671 -10.975 1.00 2.00 H new ATOM 0 HG13 ILE A 76 -4.074 0.008 -11.248 1.00 2.00 H new ATOM 0 HG21 ILE A 76 -6.966 -1.097 -9.115 1.00 2.00 H new ATOM 0 HG22 ILE A 76 -8.170 -0.855 -10.403 1.00 2.00 H new ATOM 0 HG23 ILE A 76 -7.046 -2.232 -10.483 1.00 2.00 H new ATOM 0 HD11 ILE A 76 -3.242 -0.761 -9.077 1.00 2.00 H new ATOM 0 HD12 ILE A 76 -4.469 0.510 -8.857 1.00 2.00 H new ATOM 0 HD13 ILE A 76 -4.894 -1.196 -8.580 1.00 2.00 H new ATOM 1200 N SER A 77 -8.672 -0.861 -13.340 1.00 2.00 N ATOM 1201 CA SER A 77 -10.056 -0.537 -13.643 1.00 2.58 C ATOM 1202 C SER A 77 -10.842 -0.274 -12.364 1.00 3.63 C ATOM 1203 O SER A 77 -10.537 -0.926 -11.351 1.00 2.11 O ATOM 1204 CB SER A 77 -10.727 -1.700 -14.393 1.00 2.42 C ATOM 1205 OG SER A 77 -10.819 -2.945 -13.675 1.00 4.94 O ATOM 0 H SER A 77 -8.405 -1.818 -13.571 1.00 2.00 H new ATOM 0 HA SER A 77 -10.056 0.358 -14.265 1.00 2.58 H new ATOM 0 HB2 SER A 77 -11.733 -1.391 -14.676 1.00 2.42 H new ATOM 0 HB3 SER A 77 -10.176 -1.876 -15.317 1.00 2.42 H new ATOM 0 HG SER A 77 -11.704 -3.340 -13.818 1.00 4.94 H new ATOM 1211 N PRO A 78 -11.933 0.512 -12.352 1.00 2.00 N ATOM 1212 CA PRO A 78 -12.679 0.815 -11.152 1.00 2.12 C ATOM 1213 C PRO A 78 -13.164 -0.388 -10.386 1.00 2.38 C ATOM 1214 O PRO A 78 -13.131 -0.362 -9.153 1.00 6.21 O ATOM 1215 CB PRO A 78 -13.836 1.744 -11.589 1.00 2.04 C ATOM 1216 CG PRO A 78 -13.789 1.753 -13.110 1.00 2.00 C ATOM 1217 CD PRO A 78 -12.374 1.343 -13.470 1.00 2.04 C ATOM 0 HA PRO A 78 -12.020 1.300 -10.432 1.00 2.12 H new ATOM 0 HB2 PRO A 78 -14.796 1.375 -11.227 1.00 2.04 H new ATOM 0 HB3 PRO A 78 -13.708 2.748 -11.185 1.00 2.04 H new ATOM 0 HG2 PRO A 78 -14.518 1.060 -13.530 1.00 2.00 H new ATOM 0 HG3 PRO A 78 -14.024 2.741 -13.505 1.00 2.00 H new ATOM 0 HD2 PRO A 78 -12.349 0.790 -14.409 1.00 2.04 H new ATOM 0 HD3 PRO A 78 -11.729 2.213 -13.595 1.00 2.04 H new ATOM 1225 N ASP A 79 -13.537 -1.466 -11.076 1.00 4.75 N ATOM 1226 CA ASP A 79 -14.028 -2.643 -10.390 1.00 5.91 C ATOM 1227 C ASP A 79 -12.956 -3.392 -9.612 1.00 6.52 C ATOM 1228 O ASP A 79 -13.279 -4.281 -8.823 1.00 5.97 O ATOM 1229 CB ASP A 79 -14.714 -3.597 -11.416 1.00 8.82 C ATOM 1230 CG ASP A 79 -13.869 -4.222 -12.510 1.00 12.39 C ATOM 1231 OD1 ASP A 79 -13.445 -3.516 -13.420 1.00 14.22 O ATOM 1232 OD2 ASP A 79 -13.643 -5.439 -12.468 1.00 15.85 O ATOM 0 H ASP A 79 -13.507 -1.541 -12.093 1.00 4.75 H new ATOM 0 HA ASP A 79 -14.749 -2.296 -9.650 1.00 5.91 H new ATOM 0 HB2 ASP A 79 -15.178 -4.407 -10.854 1.00 8.82 H new ATOM 0 HB3 ASP A 79 -15.518 -3.041 -11.897 1.00 8.82 H new ATOM 1237 N TYR A 80 -11.683 -3.051 -9.891 1.00 5.54 N ATOM 1238 CA TYR A 80 -10.496 -3.556 -9.224 1.00 5.25 C ATOM 1239 C TYR A 80 -9.923 -2.544 -8.259 1.00 3.95 C ATOM 1240 O TYR A 80 -8.805 -2.671 -7.752 1.00 2.27 O ATOM 1241 CB TYR A 80 -9.457 -3.857 -10.233 1.00 5.38 C ATOM 1242 CG TYR A 80 -9.613 -5.253 -10.729 1.00 9.01 C ATOM 1243 CD1 TYR A 80 -10.724 -5.617 -11.448 1.00 9.02 C ATOM 1244 CD2 TYR A 80 -8.602 -6.139 -10.449 1.00 9.72 C ATOM 1245 CE1 TYR A 80 -10.833 -6.899 -11.914 1.00 11.03 C ATOM 1246 CE2 TYR A 80 -8.701 -7.432 -10.906 1.00 10.74 C ATOM 1247 CZ TYR A 80 -9.817 -7.801 -11.641 1.00 11.52 C ATOM 1248 OH TYR A 80 -9.865 -9.082 -12.160 1.00 10.51 O ATOM 0 H TYR A 80 -11.458 -2.381 -10.627 1.00 5.54 H new ATOM 0 HA TYR A 80 -10.786 -4.450 -8.672 1.00 5.25 H new ATOM 0 HB2 TYR A 80 -9.533 -3.157 -11.065 1.00 5.38 H new ATOM 0 HB3 TYR A 80 -8.467 -3.727 -9.797 1.00 5.38 H new ATOM 0 HD1 TYR A 80 -11.505 -4.898 -11.644 1.00 9.02 H new ATOM 0 HD2 TYR A 80 -7.741 -5.825 -9.878 1.00 9.72 H new ATOM 0 HE1 TYR A 80 -11.697 -7.203 -12.486 1.00 11.03 H new ATOM 0 HE2 TYR A 80 -7.921 -8.149 -10.696 1.00 10.74 H new ATOM 0 HH TYR A 80 -9.073 -9.582 -11.871 1.00 10.51 H new ATOM 1258 N ALA A 81 -10.670 -1.496 -7.998 1.00 3.70 N ATOM 1259 CA ALA A 81 -10.221 -0.413 -7.141 1.00 2.09 C ATOM 1260 C ALA A 81 -11.415 -0.057 -6.268 1.00 2.54 C ATOM 1261 O ALA A 81 -11.865 -0.950 -5.551 1.00 2.00 O ATOM 1262 CB ALA A 81 -9.763 0.736 -8.048 1.00 2.00 C ATOM 0 H ALA A 81 -11.610 -1.366 -8.373 1.00 3.70 H new ATOM 0 HA ALA A 81 -9.378 -0.664 -6.497 1.00 2.09 H new ATOM 0 HB1 ALA A 81 -9.418 1.569 -7.435 1.00 2.00 H new ATOM 0 HB2 ALA A 81 -8.948 0.393 -8.686 1.00 2.00 H new ATOM 0 HB3 ALA A 81 -10.597 1.064 -8.669 1.00 2.00 H new ATOM 1268 N TYR A 82 -12.009 1.157 -6.325 1.00 3.23 N ATOM 1269 CA TYR A 82 -13.075 1.620 -5.426 1.00 2.24 C ATOM 1270 C TYR A 82 -14.507 1.596 -6.022 1.00 3.91 C ATOM 1271 O TYR A 82 -15.496 2.029 -5.395 1.00 3.42 O ATOM 1272 CB TYR A 82 -12.670 3.030 -4.979 1.00 3.55 C ATOM 1273 CG TYR A 82 -11.402 3.033 -4.153 1.00 2.13 C ATOM 1274 CD1 TYR A 82 -11.393 2.502 -2.856 1.00 3.05 C ATOM 1275 CD2 TYR A 82 -10.230 3.521 -4.716 1.00 3.38 C ATOM 1276 CE1 TYR A 82 -10.218 2.447 -2.124 1.00 3.83 C ATOM 1277 CE2 TYR A 82 -9.059 3.465 -3.990 1.00 3.32 C ATOM 1278 CZ TYR A 82 -9.060 2.934 -2.712 1.00 2.65 C ATOM 1279 OH TYR A 82 -7.863 2.886 -2.030 1.00 6.84 O ATOM 0 H TYR A 82 -11.748 1.857 -7.020 1.00 3.23 H new ATOM 0 HA TYR A 82 -13.154 0.923 -4.592 1.00 2.24 H new ATOM 0 HB2 TYR A 82 -12.529 3.660 -5.857 1.00 3.55 H new ATOM 0 HB3 TYR A 82 -13.480 3.470 -4.397 1.00 3.55 H new ATOM 0 HD1 TYR A 82 -12.311 2.132 -2.423 1.00 3.05 H new ATOM 0 HD2 TYR A 82 -10.236 3.940 -5.711 1.00 3.38 H new ATOM 0 HE1 TYR A 82 -10.204 2.037 -1.125 1.00 3.83 H new ATOM 0 HE2 TYR A 82 -8.140 3.836 -4.419 1.00 3.32 H new ATOM 0 HH TYR A 82 -7.153 3.268 -2.588 1.00 6.84 H new ATOM 1289 N GLY A 83 -14.626 1.075 -7.265 1.00 2.04 N ATOM 1290 CA GLY A 83 -15.890 0.820 -7.905 1.00 3.96 C ATOM 1291 C GLY A 83 -16.707 2.085 -8.017 1.00 5.99 C ATOM 1292 O GLY A 83 -16.251 3.162 -8.405 1.00 2.62 O ATOM 0 H GLY A 83 -13.822 0.824 -7.840 1.00 2.04 H new ATOM 0 HA2 GLY A 83 -15.721 0.403 -8.898 1.00 3.96 H new ATOM 0 HA3 GLY A 83 -16.445 0.074 -7.336 1.00 3.96 H new ATOM 1296 N ALA A 84 -17.978 1.876 -7.712 1.00 7.64 N ATOM 1297 CA ALA A 84 -18.941 2.958 -7.785 1.00 8.23 C ATOM 1298 C ALA A 84 -18.896 3.812 -6.530 1.00 9.75 C ATOM 1299 O ALA A 84 -19.363 4.941 -6.609 1.00 10.11 O ATOM 1300 CB ALA A 84 -20.323 2.382 -7.960 1.00 9.35 C ATOM 0 H ALA A 84 -18.361 0.978 -7.415 1.00 7.64 H new ATOM 0 HA ALA A 84 -18.691 3.591 -8.636 1.00 8.23 H new ATOM 0 HB1 ALA A 84 -21.050 3.192 -8.015 1.00 9.35 H new ATOM 0 HB2 ALA A 84 -20.360 1.798 -8.879 1.00 9.35 H new ATOM 0 HB3 ALA A 84 -20.559 1.739 -7.112 1.00 9.35 H new ATOM 1306 N THR A 85 -18.345 3.350 -5.398 1.00 10.35 N ATOM 1307 CA THR A 85 -18.237 4.236 -4.248 1.00 11.80 C ATOM 1308 C THR A 85 -17.172 5.307 -4.435 1.00 11.44 C ATOM 1309 O THR A 85 -17.347 6.491 -4.092 1.00 13.50 O ATOM 1310 CB THR A 85 -17.898 3.399 -3.011 1.00 12.18 C ATOM 1311 OG1 THR A 85 -18.701 2.248 -3.043 1.00 13.76 O ATOM 1312 CG2 THR A 85 -18.203 4.120 -1.727 1.00 12.85 C ATOM 0 H THR A 85 -17.983 2.406 -5.262 1.00 10.35 H new ATOM 0 HA THR A 85 -19.193 4.746 -4.129 1.00 11.80 H new ATOM 0 HB THR A 85 -16.831 3.178 -3.036 1.00 12.18 H new ATOM 0 HG1 THR A 85 -18.504 1.690 -2.262 1.00 13.76 H new ATOM 0 HG21 THR A 85 -17.944 3.483 -0.881 1.00 12.85 H new ATOM 0 HG22 THR A 85 -17.621 5.040 -1.679 1.00 12.85 H new ATOM 0 HG23 THR A 85 -19.265 4.361 -1.688 1.00 12.85 H new ATOM 1320 N GLY A 86 -16.007 4.906 -4.952 1.00 9.98 N ATOM 1321 CA GLY A 86 -14.885 5.839 -4.956 1.00 8.62 C ATOM 1322 C GLY A 86 -14.371 5.955 -3.520 1.00 5.63 C ATOM 1323 O GLY A 86 -14.709 5.156 -2.643 1.00 6.65 O ATOM 0 H GLY A 86 -15.822 3.987 -5.354 1.00 9.98 H new ATOM 0 HA2 GLY A 86 -14.095 5.484 -5.617 1.00 8.62 H new ATOM 0 HA3 GLY A 86 -15.199 6.814 -5.330 1.00 8.62 H new ATOM 1327 N HIS A 87 -13.496 6.894 -3.201 1.00 6.67 N ATOM 1328 CA HIS A 87 -13.028 7.006 -1.826 1.00 8.71 C ATOM 1329 C HIS A 87 -13.473 8.392 -1.423 1.00 5.88 C ATOM 1330 O HIS A 87 -12.932 9.341 -2.025 1.00 6.76 O ATOM 1331 CB HIS A 87 -11.514 6.917 -1.745 1.00 10.42 C ATOM 1332 CG HIS A 87 -10.995 6.848 -0.309 1.00 14.33 C ATOM 1333 ND1 HIS A 87 -10.787 7.840 0.574 1.00 15.88 N ATOM 1334 CD2 HIS A 87 -10.667 5.667 0.325 1.00 14.59 C ATOM 1335 CE1 HIS A 87 -10.358 7.311 1.698 1.00 15.05 C ATOM 1336 NE2 HIS A 87 -10.292 6.003 1.532 1.00 15.30 N ATOM 0 H HIS A 87 -13.103 7.573 -3.853 1.00 6.67 H new ATOM 0 HA HIS A 87 -13.416 6.210 -1.191 1.00 8.71 H new ATOM 0 HB2 HIS A 87 -11.178 6.035 -2.290 1.00 10.42 H new ATOM 0 HB3 HIS A 87 -11.078 7.784 -2.242 1.00 10.42 H new ATOM 0 HD2 HIS A 87 -10.711 4.671 -0.090 1.00 14.59 H new ATOM 0 HE1 HIS A 87 -10.104 7.851 2.598 1.00 15.05 H new ATOM 0 HE2 HIS A 87 -9.989 5.343 2.249 1.00 15.30 H new ATOM 1345 N PRO A 88 -14.401 8.587 -0.447 1.00 7.70 N ATOM 1346 CA PRO A 88 -15.087 9.863 -0.183 1.00 10.44 C ATOM 1347 C PRO A 88 -14.085 11.018 -0.120 1.00 9.91 C ATOM 1348 O PRO A 88 -13.011 10.883 0.492 1.00 11.41 O ATOM 1349 CB PRO A 88 -15.855 9.613 1.124 1.00 10.62 C ATOM 1350 CG PRO A 88 -15.098 8.495 1.790 1.00 10.41 C ATOM 1351 CD PRO A 88 -14.718 7.611 0.598 1.00 9.40 C ATOM 0 HA PRO A 88 -15.775 10.167 -0.972 1.00 10.44 H new ATOM 0 HB2 PRO A 88 -15.878 10.506 1.749 1.00 10.62 H new ATOM 0 HB3 PRO A 88 -16.890 9.333 0.930 1.00 10.62 H new ATOM 0 HG2 PRO A 88 -14.220 8.859 2.324 1.00 10.41 H new ATOM 0 HG3 PRO A 88 -15.713 7.961 2.514 1.00 10.41 H new ATOM 0 HD2 PRO A 88 -13.865 6.971 0.825 1.00 9.40 H new ATOM 0 HD3 PRO A 88 -15.538 6.956 0.303 1.00 9.40 H new ATOM 1359 N GLY A 89 -14.367 11.975 -1.015 1.00 10.00 N ATOM 1360 CA GLY A 89 -13.536 13.153 -1.193 1.00 10.18 C ATOM 1361 C GLY A 89 -12.267 13.004 -2.063 1.00 12.92 C ATOM 1362 O GLY A 89 -11.855 13.989 -2.692 1.00 14.20 O ATOM 0 H GLY A 89 -15.179 11.946 -1.631 1.00 10.00 H new ATOM 0 HA2 GLY A 89 -14.154 13.938 -1.630 1.00 10.18 H new ATOM 0 HA3 GLY A 89 -13.229 13.501 -0.207 1.00 10.18 H new ATOM 1366 N ILE A 90 -11.645 11.814 -2.188 1.00 11.06 N ATOM 1367 CA ILE A 90 -10.393 11.676 -2.930 1.00 8.16 C ATOM 1368 C ILE A 90 -10.533 11.075 -4.307 1.00 6.45 C ATOM 1369 O ILE A 90 -9.983 11.587 -5.282 1.00 7.46 O ATOM 1370 CB ILE A 90 -9.401 10.845 -2.047 1.00 7.49 C ATOM 1371 CG1 ILE A 90 -9.161 11.606 -0.772 1.00 6.98 C ATOM 1372 CG2 ILE A 90 -8.021 10.685 -2.685 1.00 7.67 C ATOM 1373 CD1 ILE A 90 -8.614 10.748 0.360 1.00 8.17 C ATOM 0 H ILE A 90 -11.993 10.944 -1.784 1.00 11.06 H new ATOM 0 HA ILE A 90 -10.013 12.680 -3.121 1.00 8.16 H new ATOM 0 HB ILE A 90 -9.853 9.863 -1.907 1.00 7.49 H new ATOM 0 HG12 ILE A 90 -8.462 12.418 -0.970 1.00 6.98 H new ATOM 0 HG13 ILE A 90 -10.097 12.062 -0.450 1.00 6.98 H new ATOM 0 HG21 ILE A 90 -7.380 10.100 -2.025 1.00 7.67 H new ATOM 0 HG22 ILE A 90 -8.120 10.173 -3.642 1.00 7.67 H new ATOM 0 HG23 ILE A 90 -7.577 11.668 -2.844 1.00 7.67 H new ATOM 0 HD11 ILE A 90 -8.467 11.366 1.246 1.00 8.17 H new ATOM 0 HD12 ILE A 90 -9.322 9.951 0.587 1.00 8.17 H new ATOM 0 HD13 ILE A 90 -7.661 10.312 0.059 1.00 8.17 H new ATOM 1385 N ILE A 91 -11.220 9.940 -4.424 1.00 4.73 N ATOM 1386 CA ILE A 91 -11.322 9.247 -5.710 1.00 6.29 C ATOM 1387 C ILE A 91 -12.790 9.386 -6.063 1.00 3.79 C ATOM 1388 O ILE A 91 -13.587 9.099 -5.173 1.00 4.88 O ATOM 1389 CB ILE A 91 -10.965 7.731 -5.589 1.00 6.01 C ATOM 1390 CG1 ILE A 91 -9.597 7.523 -4.952 1.00 6.44 C ATOM 1391 CG2 ILE A 91 -10.996 7.095 -6.959 1.00 4.02 C ATOM 1392 CD1 ILE A 91 -8.430 8.136 -5.736 1.00 8.01 C ATOM 0 H ILE A 91 -11.710 9.484 -3.654 1.00 4.73 H new ATOM 0 HA ILE A 91 -10.637 9.662 -6.449 1.00 6.29 H new ATOM 0 HB ILE A 91 -11.706 7.260 -4.943 1.00 6.01 H new ATOM 0 HG12 ILE A 91 -9.609 7.950 -3.949 1.00 6.44 H new ATOM 0 HG13 ILE A 91 -9.421 6.453 -4.841 1.00 6.44 H new ATOM 0 HG21 ILE A 91 -10.747 6.037 -6.875 1.00 4.02 H new ATOM 0 HG22 ILE A 91 -11.993 7.200 -7.386 1.00 4.02 H new ATOM 0 HG23 ILE A 91 -10.270 7.588 -7.606 1.00 4.02 H new ATOM 0 HD11 ILE A 91 -7.496 7.940 -5.210 1.00 8.01 H new ATOM 0 HD12 ILE A 91 -8.387 7.692 -6.731 1.00 8.01 H new ATOM 0 HD13 ILE A 91 -8.577 9.212 -5.825 1.00 8.01 H new ATOM 1404 N PRO A 92 -13.202 9.792 -7.278 1.00 4.17 N ATOM 1405 CA PRO A 92 -14.597 9.788 -7.748 1.00 5.55 C ATOM 1406 C PRO A 92 -15.164 8.385 -7.909 1.00 4.42 C ATOM 1407 O PRO A 92 -14.391 7.427 -8.056 1.00 5.15 O ATOM 1408 CB PRO A 92 -14.554 10.521 -9.059 1.00 6.08 C ATOM 1409 CG PRO A 92 -13.195 11.175 -9.098 1.00 6.52 C ATOM 1410 CD PRO A 92 -12.329 10.192 -8.371 1.00 3.94 C ATOM 0 HA PRO A 92 -15.260 10.262 -7.024 1.00 5.55 H new ATOM 0 HB2 PRO A 92 -14.687 9.837 -9.898 1.00 6.08 H new ATOM 0 HB3 PRO A 92 -15.350 11.262 -9.123 1.00 6.08 H new ATOM 0 HG2 PRO A 92 -12.853 11.336 -10.121 1.00 6.52 H new ATOM 0 HG3 PRO A 92 -13.201 12.148 -8.607 1.00 6.52 H new ATOM 0 HD2 PRO A 92 -12.047 9.348 -9.001 1.00 3.94 H new ATOM 0 HD3 PRO A 92 -11.405 10.645 -8.013 1.00 3.94 H new ATOM 1418 N PRO A 93 -16.491 8.199 -7.995 1.00 4.82 N ATOM 1419 CA PRO A 93 -17.080 6.963 -8.509 1.00 2.73 C ATOM 1420 C PRO A 93 -16.536 6.659 -9.911 1.00 4.00 C ATOM 1421 O PRO A 93 -16.221 7.544 -10.710 1.00 2.50 O ATOM 1422 CB PRO A 93 -18.585 7.185 -8.538 1.00 4.57 C ATOM 1423 CG PRO A 93 -18.842 8.455 -7.757 1.00 2.86 C ATOM 1424 CD PRO A 93 -17.523 9.224 -7.751 1.00 3.66 C ATOM 0 HA PRO A 93 -16.830 6.107 -7.882 1.00 2.73 H new ATOM 0 HB2 PRO A 93 -18.944 7.279 -9.563 1.00 4.57 H new ATOM 0 HB3 PRO A 93 -19.111 6.341 -8.092 1.00 4.57 H new ATOM 0 HG2 PRO A 93 -19.634 9.044 -8.220 1.00 2.86 H new ATOM 0 HG3 PRO A 93 -19.166 8.229 -6.741 1.00 2.86 H new ATOM 0 HD2 PRO A 93 -17.509 9.992 -8.524 1.00 3.66 H new ATOM 0 HD3 PRO A 93 -17.363 9.728 -6.798 1.00 3.66 H new ATOM 1432 N HIS A 94 -16.377 5.353 -10.135 1.00 2.02 N ATOM 1433 CA HIS A 94 -16.032 4.764 -11.424 1.00 2.29 C ATOM 1434 C HIS A 94 -14.681 5.209 -11.954 1.00 3.54 C ATOM 1435 O HIS A 94 -14.518 5.200 -13.161 1.00 5.36 O ATOM 1436 CB HIS A 94 -17.171 5.097 -12.461 1.00 2.13 C ATOM 1437 CG HIS A 94 -18.499 4.535 -11.980 1.00 3.62 C ATOM 1438 ND1 HIS A 94 -18.836 3.259 -11.888 1.00 5.90 N ATOM 1439 CD2 HIS A 94 -19.554 5.282 -11.500 1.00 6.00 C ATOM 1440 CE1 HIS A 94 -20.044 3.215 -11.370 1.00 7.29 C ATOM 1441 NE2 HIS A 94 -20.478 4.428 -11.139 1.00 7.42 N ATOM 0 H HIS A 94 -16.489 4.656 -9.398 1.00 2.02 H new ATOM 0 HA HIS A 94 -15.950 3.687 -11.278 1.00 2.29 H new ATOM 0 HB2 HIS A 94 -17.250 6.176 -12.591 1.00 2.13 H new ATOM 0 HB3 HIS A 94 -16.921 4.676 -13.435 1.00 2.13 H new ATOM 0 HD2 HIS A 94 -19.607 6.359 -11.435 1.00 6.00 H new ATOM 0 HE1 HIS A 94 -20.597 2.310 -11.165 1.00 7.29 H new ATOM 0 HE2 HIS A 94 -21.387 4.668 -10.743 1.00 7.42 H new ATOM 1450 N ALA A 95 -13.716 5.580 -11.104 1.00 2.02 N ATOM 1451 CA ALA A 95 -12.409 6.046 -11.554 1.00 2.07 C ATOM 1452 C ALA A 95 -11.361 4.972 -11.928 1.00 2.04 C ATOM 1453 O ALA A 95 -11.186 4.031 -11.157 1.00 2.22 O ATOM 1454 CB ALA A 95 -11.828 6.901 -10.456 1.00 2.15 C ATOM 0 H ALA A 95 -13.823 5.564 -10.090 1.00 2.02 H new ATOM 0 HA ALA A 95 -12.605 6.572 -12.489 1.00 2.07 H new ATOM 0 HB1 ALA A 95 -10.847 7.267 -10.760 1.00 2.15 H new ATOM 0 HB2 ALA A 95 -12.488 7.747 -10.266 1.00 2.15 H new ATOM 0 HB3 ALA A 95 -11.728 6.308 -9.547 1.00 2.15 H new ATOM 1460 N THR A 96 -10.651 5.044 -13.069 1.00 2.15 N ATOM 1461 CA THR A 96 -9.498 4.199 -13.353 1.00 2.05 C ATOM 1462 C THR A 96 -8.303 4.832 -12.613 1.00 2.64 C ATOM 1463 O THR A 96 -8.054 6.034 -12.714 1.00 2.00 O ATOM 1464 CB THR A 96 -9.192 4.165 -14.885 1.00 3.72 C ATOM 1465 OG1 THR A 96 -10.249 3.433 -15.527 1.00 4.61 O ATOM 1466 CG2 THR A 96 -7.838 3.565 -15.184 1.00 2.33 C ATOM 0 H THR A 96 -10.871 5.699 -13.820 1.00 2.15 H new ATOM 0 HA THR A 96 -9.688 3.175 -13.030 1.00 2.05 H new ATOM 0 HB THR A 96 -9.152 5.183 -15.271 1.00 3.72 H new ATOM 0 HG1 THR A 96 -10.083 3.397 -16.492 1.00 4.61 H new ATOM 0 HG21 THR A 96 -7.671 3.563 -16.261 1.00 2.33 H new ATOM 0 HG22 THR A 96 -7.062 4.156 -14.697 1.00 2.33 H new ATOM 0 HG23 THR A 96 -7.803 2.542 -14.809 1.00 2.33 H new ATOM 1474 N LEU A 97 -7.521 4.040 -11.883 1.00 2.19 N ATOM 1475 CA LEU A 97 -6.416 4.565 -11.108 1.00 2.07 C ATOM 1476 C LEU A 97 -5.081 4.163 -11.745 1.00 2.05 C ATOM 1477 O LEU A 97 -4.965 3.115 -12.382 1.00 5.34 O ATOM 1478 CB LEU A 97 -6.564 4.023 -9.679 1.00 2.00 C ATOM 1479 CG LEU A 97 -7.838 4.396 -8.938 1.00 2.82 C ATOM 1480 CD1 LEU A 97 -7.755 3.831 -7.550 1.00 2.15 C ATOM 1481 CD2 LEU A 97 -8.026 5.927 -8.912 1.00 2.08 C ATOM 0 H LEU A 97 -7.639 3.029 -11.817 1.00 2.19 H new ATOM 0 HA LEU A 97 -6.429 5.655 -11.086 1.00 2.07 H new ATOM 0 HB2 LEU A 97 -6.499 2.936 -9.719 1.00 2.00 H new ATOM 0 HB3 LEU A 97 -5.714 4.372 -9.093 1.00 2.00 H new ATOM 0 HG LEU A 97 -8.706 3.979 -9.449 1.00 2.82 H new ATOM 0 HD11 LEU A 97 -8.660 4.086 -6.998 1.00 2.15 H new ATOM 0 HD12 LEU A 97 -7.657 2.747 -7.604 1.00 2.15 H new ATOM 0 HD13 LEU A 97 -6.888 4.249 -7.038 1.00 2.15 H new ATOM 0 HD21 LEU A 97 -8.944 6.172 -8.377 1.00 2.08 H new ATOM 0 HD22 LEU A 97 -7.177 6.389 -8.408 1.00 2.08 H new ATOM 0 HD23 LEU A 97 -8.090 6.303 -9.933 1.00 2.08 H new ATOM 1493 N VAL A 98 -4.080 5.014 -11.638 1.00 2.00 N ATOM 1494 CA VAL A 98 -2.815 4.739 -12.232 1.00 3.65 C ATOM 1495 C VAL A 98 -1.850 4.811 -11.071 1.00 2.12 C ATOM 1496 O VAL A 98 -1.804 5.824 -10.387 1.00 3.97 O ATOM 1497 CB VAL A 98 -2.490 5.793 -13.316 1.00 3.31 C ATOM 1498 CG1 VAL A 98 -1.094 5.500 -13.818 1.00 2.09 C ATOM 1499 CG2 VAL A 98 -3.461 5.727 -14.511 1.00 2.11 C ATOM 0 H VAL A 98 -4.133 5.902 -11.140 1.00 2.00 H new ATOM 0 HA VAL A 98 -2.774 3.775 -12.738 1.00 3.65 H new ATOM 0 HB VAL A 98 -2.580 6.786 -12.876 1.00 3.31 H new ATOM 0 HG11 VAL A 98 -0.825 6.224 -14.587 1.00 2.09 H new ATOM 0 HG12 VAL A 98 -0.388 5.570 -12.991 1.00 2.09 H new ATOM 0 HG13 VAL A 98 -1.062 4.495 -14.238 1.00 2.09 H new ATOM 0 HG21 VAL A 98 -3.189 6.487 -15.243 1.00 2.11 H new ATOM 0 HG22 VAL A 98 -3.403 4.741 -14.973 1.00 2.11 H new ATOM 0 HG23 VAL A 98 -4.479 5.906 -14.163 1.00 2.11 H new ATOM 1509 N PHE A 99 -1.125 3.743 -10.753 1.00 4.42 N ATOM 1510 CA PHE A 99 -0.165 3.796 -9.662 1.00 2.41 C ATOM 1511 C PHE A 99 1.249 3.569 -10.211 1.00 2.00 C ATOM 1512 O PHE A 99 1.462 2.709 -11.063 1.00 2.00 O ATOM 1513 CB PHE A 99 -0.457 2.719 -8.639 1.00 2.00 C ATOM 1514 CG PHE A 99 -1.570 3.013 -7.684 1.00 2.40 C ATOM 1515 CD1 PHE A 99 -2.882 2.652 -8.009 1.00 2.00 C ATOM 1516 CD2 PHE A 99 -1.284 3.640 -6.486 1.00 2.08 C ATOM 1517 CE1 PHE A 99 -3.884 2.932 -7.114 1.00 2.02 C ATOM 1518 CE2 PHE A 99 -2.305 3.913 -5.601 1.00 2.30 C ATOM 1519 CZ PHE A 99 -3.599 3.561 -5.915 1.00 2.48 C ATOM 0 H PHE A 99 -1.184 2.843 -11.229 1.00 4.42 H new ATOM 0 HA PHE A 99 -0.240 4.775 -9.189 1.00 2.41 H new ATOM 0 HB2 PHE A 99 -0.692 1.796 -9.168 1.00 2.00 H new ATOM 0 HB3 PHE A 99 0.451 2.535 -8.064 1.00 2.00 H new ATOM 0 HD1 PHE A 99 -3.102 2.162 -8.946 1.00 2.00 H new ATOM 0 HD2 PHE A 99 -0.268 3.914 -6.245 1.00 2.08 H new ATOM 0 HE1 PHE A 99 -4.903 2.659 -7.347 1.00 2.02 H new ATOM 0 HE2 PHE A 99 -2.090 4.402 -4.662 1.00 2.30 H new ATOM 0 HZ PHE A 99 -4.397 3.778 -5.220 1.00 2.48 H new ATOM 1529 N ASP A 100 2.205 4.344 -9.749 1.00 2.07 N ATOM 1530 CA ASP A 100 3.622 4.189 -10.063 1.00 2.05 C ATOM 1531 C ASP A 100 4.085 3.564 -8.755 1.00 2.00 C ATOM 1532 O ASP A 100 4.048 4.187 -7.704 1.00 2.00 O ATOM 1533 CB ASP A 100 4.283 5.536 -10.278 1.00 2.00 C ATOM 1534 CG ASP A 100 5.790 5.502 -10.480 1.00 2.09 C ATOM 1535 OD1 ASP A 100 6.434 4.493 -10.197 1.00 2.00 O ATOM 1536 OD2 ASP A 100 6.312 6.505 -10.945 1.00 2.00 O ATOM 0 H ASP A 100 2.019 5.128 -9.123 1.00 2.07 H new ATOM 0 HA ASP A 100 3.845 3.623 -10.967 1.00 2.05 H new ATOM 0 HB2 ASP A 100 3.828 6.009 -11.148 1.00 2.00 H new ATOM 0 HB3 ASP A 100 4.063 6.170 -9.419 1.00 2.00 H new ATOM 1541 N VAL A 101 4.484 2.308 -8.867 1.00 2.00 N ATOM 1542 CA VAL A 101 4.810 1.457 -7.727 1.00 3.03 C ATOM 1543 C VAL A 101 6.215 0.840 -7.889 1.00 2.94 C ATOM 1544 O VAL A 101 6.574 0.328 -8.960 1.00 2.23 O ATOM 1545 CB VAL A 101 3.698 0.351 -7.605 1.00 2.13 C ATOM 1546 CG1 VAL A 101 4.008 -0.616 -6.475 1.00 2.10 C ATOM 1547 CG2 VAL A 101 2.414 0.957 -7.129 1.00 3.53 C ATOM 0 H VAL A 101 4.593 1.840 -9.767 1.00 2.00 H new ATOM 0 HA VAL A 101 4.832 2.046 -6.810 1.00 3.03 H new ATOM 0 HB VAL A 101 3.645 -0.119 -8.587 1.00 2.13 H new ATOM 0 HG11 VAL A 101 3.222 -1.369 -6.415 1.00 2.10 H new ATOM 0 HG12 VAL A 101 4.964 -1.104 -6.665 1.00 2.10 H new ATOM 0 HG13 VAL A 101 4.060 -0.070 -5.533 1.00 2.10 H new ATOM 0 HG21 VAL A 101 1.653 0.181 -7.049 1.00 3.53 H new ATOM 0 HG22 VAL A 101 2.568 1.416 -6.152 1.00 3.53 H new ATOM 0 HG23 VAL A 101 2.085 1.716 -7.839 1.00 3.53 H new ATOM 1557 N GLU A 102 7.024 0.912 -6.843 1.00 2.47 N ATOM 1558 CA GLU A 102 8.344 0.347 -6.872 1.00 3.37 C ATOM 1559 C GLU A 102 8.369 -0.668 -5.766 1.00 2.00 C ATOM 1560 O GLU A 102 8.079 -0.296 -4.624 1.00 2.00 O ATOM 1561 CB GLU A 102 9.355 1.437 -6.639 1.00 5.33 C ATOM 1562 CG GLU A 102 10.767 0.847 -6.449 1.00 8.11 C ATOM 1563 CD GLU A 102 11.944 1.798 -6.666 1.00 12.60 C ATOM 1564 OE1 GLU A 102 11.842 2.997 -6.420 1.00 8.00 O ATOM 1565 OE2 GLU A 102 12.966 1.314 -7.153 1.00 14.21 O ATOM 0 H GLU A 102 6.777 1.362 -5.962 1.00 2.47 H new ATOM 0 HA GLU A 102 8.586 -0.116 -7.828 1.00 3.37 H new ATOM 0 HB2 GLU A 102 9.355 2.125 -7.484 1.00 5.33 H new ATOM 0 HB3 GLU A 102 9.076 2.015 -5.758 1.00 5.33 H new ATOM 0 HG2 GLU A 102 10.835 0.447 -5.437 1.00 8.11 H new ATOM 0 HG3 GLU A 102 10.879 0.006 -7.133 1.00 8.11 H new ATOM 1572 N LEU A 103 8.655 -1.927 -6.074 1.00 2.00 N ATOM 1573 CA LEU A 103 8.704 -2.947 -5.035 1.00 2.00 C ATOM 1574 C LEU A 103 10.143 -2.981 -4.487 1.00 2.00 C ATOM 1575 O LEU A 103 11.108 -3.413 -5.125 1.00 2.08 O ATOM 1576 CB LEU A 103 8.278 -4.307 -5.626 1.00 2.00 C ATOM 1577 CG LEU A 103 8.491 -5.532 -4.713 1.00 2.00 C ATOM 1578 CD1 LEU A 103 7.783 -5.336 -3.356 1.00 2.42 C ATOM 1579 CD2 LEU A 103 7.965 -6.783 -5.417 1.00 2.00 C ATOM 0 H LEU A 103 8.853 -2.262 -7.017 1.00 2.00 H new ATOM 0 HA LEU A 103 8.016 -2.723 -4.220 1.00 2.00 H new ATOM 0 HB2 LEU A 103 7.222 -4.253 -5.889 1.00 2.00 H new ATOM 0 HB3 LEU A 103 8.829 -4.468 -6.553 1.00 2.00 H new ATOM 0 HG LEU A 103 9.557 -5.649 -4.517 1.00 2.00 H new ATOM 0 HD11 LEU A 103 7.948 -6.213 -2.730 1.00 2.42 H new ATOM 0 HD12 LEU A 103 8.187 -4.454 -2.859 1.00 2.42 H new ATOM 0 HD13 LEU A 103 6.714 -5.203 -3.519 1.00 2.42 H new ATOM 0 HD21 LEU A 103 8.114 -7.651 -4.775 1.00 2.00 H new ATOM 0 HD22 LEU A 103 6.902 -6.663 -5.625 1.00 2.00 H new ATOM 0 HD23 LEU A 103 8.504 -6.927 -6.353 1.00 2.00 H new ATOM 1591 N LEU A 104 10.266 -2.500 -3.270 1.00 2.09 N ATOM 1592 CA LEU A 104 11.574 -2.282 -2.639 1.00 2.00 C ATOM 1593 C LEU A 104 12.171 -3.504 -1.938 1.00 2.09 C ATOM 1594 O LEU A 104 13.381 -3.818 -2.027 1.00 2.00 O ATOM 1595 CB LEU A 104 11.487 -1.121 -1.593 1.00 2.00 C ATOM 1596 CG LEU A 104 11.011 0.284 -2.040 1.00 2.23 C ATOM 1597 CD1 LEU A 104 10.885 1.273 -0.876 1.00 2.62 C ATOM 1598 CD2 LEU A 104 12.029 0.808 -3.024 1.00 2.00 C ATOM 0 H LEU A 104 9.473 -2.246 -2.681 1.00 2.09 H new ATOM 0 HA LEU A 104 12.237 -2.037 -3.469 1.00 2.00 H new ATOM 0 HB2 LEU A 104 10.822 -1.451 -0.795 1.00 2.00 H new ATOM 0 HB3 LEU A 104 12.478 -1.004 -1.154 1.00 2.00 H new ATOM 0 HG LEU A 104 10.017 0.189 -2.478 1.00 2.23 H new ATOM 0 HD11 LEU A 104 10.548 2.238 -1.254 1.00 2.62 H new ATOM 0 HD12 LEU A 104 10.163 0.894 -0.153 1.00 2.62 H new ATOM 0 HD13 LEU A 104 11.855 1.391 -0.392 1.00 2.62 H new ATOM 0 HD21 LEU A 104 11.729 1.799 -3.364 1.00 2.00 H new ATOM 0 HD22 LEU A 104 13.004 0.869 -2.541 1.00 2.00 H new ATOM 0 HD23 LEU A 104 12.089 0.134 -3.879 1.00 2.00 H new ATOM 1610 N LYS A 105 11.286 -4.186 -1.214 1.00 2.35 N ATOM 1611 CA LYS A 105 11.748 -5.196 -0.276 1.00 3.56 C ATOM 1612 C LYS A 105 10.587 -6.120 0.078 1.00 4.04 C ATOM 1613 O LYS A 105 9.446 -5.639 0.010 1.00 2.11 O ATOM 1614 CB LYS A 105 12.204 -4.459 0.933 1.00 4.70 C ATOM 1615 CG LYS A 105 12.983 -5.256 1.903 1.00 8.71 C ATOM 1616 CD LYS A 105 13.444 -4.284 2.951 1.00 8.68 C ATOM 1617 CE LYS A 105 13.994 -5.154 4.053 1.00 10.78 C ATOM 1618 NZ LYS A 105 14.226 -4.305 5.205 1.00 11.71 N ATOM 0 H LYS A 105 10.275 -4.061 -1.258 1.00 2.35 H new ATOM 0 HA LYS A 105 12.551 -5.804 -0.692 1.00 3.56 H new ATOM 0 HB2 LYS A 105 12.811 -3.611 0.614 1.00 4.70 H new ATOM 0 HB3 LYS A 105 11.330 -4.052 1.441 1.00 4.70 H new ATOM 0 HG2 LYS A 105 12.372 -6.044 2.342 1.00 8.71 H new ATOM 0 HG3 LYS A 105 13.831 -5.742 1.420 1.00 8.71 H new ATOM 0 HD2 LYS A 105 14.206 -3.609 2.560 1.00 8.68 H new ATOM 0 HD3 LYS A 105 12.621 -3.664 3.307 1.00 8.68 H new ATOM 0 HE2 LYS A 105 13.292 -5.950 4.299 1.00 10.78 H new ATOM 0 HE3 LYS A 105 14.921 -5.633 3.737 1.00 10.78 H new ATOM 0 HZ1 LYS A 105 14.985 -4.711 5.788 1.00 11.71 H new ATOM 0 HZ2 LYS A 105 14.505 -3.355 4.886 1.00 11.71 H new ATOM 0 HZ3 LYS A 105 13.354 -4.239 5.769 1.00 11.71 H new ATOM 1632 N LEU A 106 10.873 -7.381 0.463 1.00 2.84 N ATOM 1633 CA LEU A 106 9.865 -8.282 1.010 1.00 2.86 C ATOM 1634 C LEU A 106 10.355 -8.631 2.387 1.00 3.93 C ATOM 1635 O LEU A 106 11.551 -8.902 2.620 1.00 4.70 O ATOM 1636 CB LEU A 106 9.697 -9.595 0.213 1.00 2.24 C ATOM 1637 CG LEU A 106 9.193 -9.457 -1.242 1.00 2.13 C ATOM 1638 CD1 LEU A 106 9.150 -10.820 -1.862 1.00 2.04 C ATOM 1639 CD2 LEU A 106 7.794 -8.852 -1.303 1.00 4.67 C ATOM 0 H LEU A 106 11.805 -7.791 0.400 1.00 2.84 H new ATOM 0 HA LEU A 106 8.895 -7.786 0.983 1.00 2.86 H new ATOM 0 HB2 LEU A 106 10.658 -10.108 0.194 1.00 2.24 H new ATOM 0 HB3 LEU A 106 9.003 -10.237 0.755 1.00 2.24 H new ATOM 0 HG LEU A 106 9.874 -8.795 -1.777 1.00 2.13 H new ATOM 0 HD11 LEU A 106 8.796 -10.741 -2.890 1.00 2.04 H new ATOM 0 HD12 LEU A 106 10.150 -11.255 -1.855 1.00 2.04 H new ATOM 0 HD13 LEU A 106 8.473 -11.457 -1.293 1.00 2.04 H new ATOM 0 HD21 LEU A 106 7.477 -8.772 -2.343 1.00 4.67 H new ATOM 0 HD22 LEU A 106 7.098 -9.490 -0.759 1.00 4.67 H new ATOM 0 HD23 LEU A 106 7.806 -7.860 -0.850 1.00 4.67 H new ATOM 1651 N GLU A 107 9.429 -8.542 3.312 1.00 6.38 N ATOM 1652 CA GLU A 107 9.701 -8.834 4.711 1.00 9.00 C ATOM 1653 C GLU A 107 8.726 -9.901 5.218 1.00 10.52 C ATOM 1654 O GLU A 107 7.863 -10.343 4.438 1.00 10.53 O ATOM 1655 CB GLU A 107 9.522 -7.580 5.544 1.00 7.90 C ATOM 1656 CG GLU A 107 10.453 -6.460 5.177 1.00 9.88 C ATOM 1657 CD GLU A 107 10.310 -5.251 6.084 1.00 12.12 C ATOM 1658 OE1 GLU A 107 9.211 -4.966 6.586 1.00 13.02 O ATOM 1659 OE2 GLU A 107 11.315 -4.568 6.278 1.00 12.10 O ATOM 1660 OXT GLU A 107 8.803 -10.230 6.404 1.00 11.27 O ATOM 0 H GLU A 107 8.465 -8.266 3.123 1.00 6.38 H new ATOM 0 HA GLU A 107 10.726 -9.195 4.799 1.00 9.00 H new ATOM 0 HB2 GLU A 107 8.494 -7.232 5.441 1.00 7.90 H new ATOM 0 HB3 GLU A 107 9.669 -7.831 6.594 1.00 7.90 H new ATOM 0 HG2 GLU A 107 11.481 -6.820 5.220 1.00 9.88 H new ATOM 0 HG3 GLU A 107 10.263 -6.159 4.147 1.00 9.88 H new TER 1667 GLU A 107 HETATM 1668 C2 GPI A 108 -4.288 1.417 0.045 1.00 0.00 C HETATM 1669 N6 GPI A 108 -4.208 2.921 0.315 1.00 0.00 N HETATM 1670 C5 GPI A 108 -3.167 3.437 -0.696 1.00 0.00 C HETATM 1671 C3 GPI A 108 -2.892 1.014 -0.388 1.00 0.00 C HETATM 1672 C4 GPI A 108 -2.328 2.224 -1.119 1.00 0.00 C HETATM 1673 C1 GPI A 108 -4.655 0.678 1.342 1.00 0.00 C HETATM 1674 O1 GPI A 108 -4.049 0.922 2.383 1.00 0.00 O HETATM 1675 O2 GPI A 108 -5.653 -0.249 1.337 1.00 0.00 O HETATM 1676 C14 GPI A 108 -6.923 0.404 1.419 1.00 0.00 C HETATM 1677 C15 GPI A 108 -7.191 0.829 2.869 1.00 0.00 C HETATM 1678 C16 GPI A 108 -8.224 1.966 2.875 1.00 0.00 C HETATM 1679 N19 GPI A 108 -11.513 1.793 0.877 1.00 0.00 N HETATM 1680 C20 GPI A 108 -11.993 0.510 1.216 1.00 0.00 C HETATM 1681 C21 GPI A 108 -11.253 -0.302 2.096 1.00 0.00 C HETATM 1682 C22 GPI A 108 -10.035 0.173 2.632 1.00 0.00 C HETATM 1683 C17 GPI A 108 -9.555 1.457 2.290 1.00 0.00 C HETATM 1684 C18 GPI A 108 -10.296 2.269 1.411 1.00 0.00 C HETATM 1685 C7 GPI A 108 -4.878 3.620 1.208 1.00 0.00 C HETATM 1686 O7 GPI A 108 -5.683 3.062 1.952 1.00 0.00 O HETATM 1687 C8 GPI A 108 -4.655 5.138 1.319 1.00 0.00 C HETATM 1688 O8 GPI A 108 -3.605 5.573 1.786 1.00 0.00 O HETATM 1689 C9 GPI A 108 -5.748 6.110 0.844 1.00 0.00 C HETATM 1690 C12 GPI A 108 -7.066 5.797 1.577 1.00 0.00 C HETATM 1691 C13 GPI A 108 -5.955 5.953 -0.672 1.00 0.00 C HETATM 1692 C10 GPI A 108 -5.321 7.556 1.155 1.00 0.00 C HETATM 1693 C11 GPI A 108 -6.431 8.527 0.716 1.00 0.00 C HETATM 0 H162 GPI A 108 -8.376 2.327 3.892 1.00 0.00 H new HETATM 0 H161 GPI A 108 -7.856 2.808 2.289 1.00 0.00 H new HETATM 0 H152 GPI A 108 -7.560 -0.018 3.447 1.00 0.00 H new HETATM 0 H151 GPI A 108 -6.266 1.159 3.342 1.00 0.00 H new HETATM 0 H142 GPI A 108 -6.938 1.276 0.765 1.00 0.00 H new HETATM 0 H141 GPI A 108 -7.711 -0.266 1.074 1.00 0.00 H new HETATM 0 H133 GPI A 108 -5.023 6.175 -1.191 1.00 0.00 H new HETATM 0 H132 GPI A 108 -6.259 4.930 -0.894 1.00 0.00 H new HETATM 0 H131 GPI A 108 -6.730 6.643 -1.007 1.00 0.00 H new HETATM 0 H123 GPI A 108 -7.370 4.773 1.358 1.00 0.00 H new HETATM 0 H122 GPI A 108 -6.921 5.910 2.651 1.00 0.00 H new HETATM 0 H121 GPI A 108 -7.841 6.485 1.241 1.00 0.00 H new HETATM 0 H113 GPI A 108 -6.603 8.423 -0.355 1.00 0.00 H new HETATM 0 H112 GPI A 108 -7.350 8.297 1.255 1.00 0.00 H new HETATM 0 H111 GPI A 108 -6.127 9.550 0.937 1.00 0.00 H new HETATM 0 H102 GPI A 108 -5.127 7.667 2.222 1.00 0.00 H new HETATM 0 H101 GPI A 108 -4.392 7.791 0.636 1.00 0.00 H new HETATM 0 H52 GPI A 108 -3.656 3.890 -1.559 1.00 0.00 H new HETATM 0 H51 GPI A 108 -2.538 4.205 -0.246 1.00 0.00 H new HETATM 0 H42 GPI A 108 -2.377 2.079 -2.198 1.00 0.00 H new HETATM 0 H41 GPI A 108 -1.279 2.373 -0.864 1.00 0.00 H new HETATM 0 H32 GPI A 108 -2.275 0.752 0.471 1.00 0.00 H new HETATM 0 H31 GPI A 108 -2.920 0.140 -1.039 1.00 0.00 H new HETATM 0 H22 GPI A 108 -9.462 -0.455 3.314 1.00 0.00 H new HETATM 0 H21 GPI A 108 -11.618 -1.294 2.363 1.00 0.00 H new HETATM 0 H20 GPI A 108 -12.933 0.149 0.798 1.00 0.00 H new HETATM 0 H2 GPI A 108 -5.039 1.175 -0.707 1.00 0.00 H new HETATM 0 H18 GPI A 108 -9.932 3.261 1.144 1.00 0.00 H new