USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 2:sc= 0.426 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.0114 X(o=0.41,f=0.096) USER MOD Single : A 11 SER OG : rot 5:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 19 TYR OH : rot 16:sc= 0.725 USER MOD Single : A 21 THR OG1 : rot -134:sc= 1.25 USER MOD Single : A 24 ASN : amide:sc= 0.0663 K(o=0.066,f=-4.4!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 46 HIS : no HD1:sc= -0.894 K(o=-0.89,f=-2.5!) USER MOD Single : A 50 MET CE :methyl 178:sc=-0.00167 (180deg=-0.0103) USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= 0.442 (180deg=-1.73!) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0.863 (180deg=0.789) USER MOD Single : A 59 MET CE :methyl -160:sc= -0.0918 (180deg=-0.93) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= 0.105! (180deg=-0.399!) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 0.761 (180deg=0.197) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -140:sc= -0.193 (180deg=-0.67) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.0868! (180deg=-0.472) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.223 (180deg=-0.478!) USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0.446 (180deg=0.436) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.190 -3.296 -1.470 1.00 1.66 N ATOM 56 CA GLU A 5 10.967 -3.954 -1.950 1.00 1.05 C ATOM 57 C GLU A 5 9.866 -3.789 -0.865 1.00 0.84 C ATOM 58 O GLU A 5 9.965 -2.879 -0.037 1.00 1.24 O ATOM 59 CB GLU A 5 11.295 -5.424 -2.277 1.00 2.43 C ATOM 60 CG GLU A 5 10.260 -6.109 -3.188 1.00 3.96 C ATOM 61 CD GLU A 5 9.627 -7.306 -2.485 1.00 5.22 C ATOM 62 OE1 GLU A 5 10.351 -8.311 -2.348 1.00 5.64 O ATOM 63 OE2 GLU A 5 8.463 -7.164 -2.052 1.00 6.41 O ATOM 0 HA GLU A 5 10.587 -3.503 -2.867 1.00 1.05 H new ATOM 0 HB2 GLU A 5 12.273 -5.469 -2.757 1.00 2.43 H new ATOM 0 HB3 GLU A 5 11.371 -5.984 -1.345 1.00 2.43 H new ATOM 0 HG2 GLU A 5 9.486 -5.395 -3.468 1.00 3.96 H new ATOM 0 HG3 GLU A 5 10.740 -6.436 -4.110 1.00 3.96 H new ATOM 70 N GLY A 6 8.808 -4.614 -0.834 1.00 0.93 N ATOM 71 CA GLY A 6 7.700 -4.498 0.122 1.00 0.80 C ATOM 72 C GLY A 6 7.616 -5.600 1.174 1.00 0.73 C ATOM 73 O GLY A 6 8.523 -6.411 1.346 1.00 0.94 O ATOM 0 H GLY A 6 8.698 -5.393 -1.484 1.00 0.93 H new ATOM 0 HA2 GLY A 6 7.784 -3.539 0.633 1.00 0.80 H new ATOM 0 HA3 GLY A 6 6.764 -4.481 -0.436 1.00 0.80 H new ATOM 77 N TRP A 7 6.498 -5.573 1.911 1.00 0.76 N ATOM 78 CA TRP A 7 6.092 -6.574 2.901 1.00 0.73 C ATOM 79 C TRP A 7 4.626 -6.400 3.335 1.00 0.71 C ATOM 80 O TRP A 7 4.054 -5.314 3.238 1.00 0.81 O ATOM 81 CB TRP A 7 7.034 -6.583 4.119 1.00 0.82 C ATOM 82 CG TRP A 7 6.914 -5.460 5.116 1.00 0.91 C ATOM 83 CD1 TRP A 7 6.141 -5.452 6.230 1.00 1.03 C ATOM 84 CD2 TRP A 7 7.599 -4.170 5.115 1.00 0.99 C ATOM 85 NE1 TRP A 7 6.360 -4.293 6.952 1.00 1.13 N ATOM 86 CE2 TRP A 7 7.200 -3.436 6.274 1.00 1.13 C ATOM 87 CE3 TRP A 7 8.511 -3.538 4.242 1.00 1.07 C ATOM 88 CZ2 TRP A 7 7.653 -2.132 6.530 1.00 1.30 C ATOM 89 CZ3 TRP A 7 8.983 -2.235 4.497 1.00 1.28 C ATOM 90 CH2 TRP A 7 8.548 -1.526 5.631 1.00 1.37 C ATOM 0 H TRP A 7 5.821 -4.815 1.828 1.00 0.76 H new ATOM 0 HA TRP A 7 6.170 -7.545 2.413 1.00 0.73 H new ATOM 0 HB2 TRP A 7 6.880 -7.521 4.653 1.00 0.82 H new ATOM 0 HB3 TRP A 7 8.059 -6.592 3.748 1.00 0.82 H new ATOM 0 HD1 TRP A 7 5.454 -6.236 6.512 1.00 1.03 H new ATOM 0 HE1 TRP A 7 5.953 -4.098 7.867 1.00 1.13 H new ATOM 0 HE3 TRP A 7 8.853 -4.063 3.362 1.00 1.07 H new ATOM 0 HZ2 TRP A 7 7.318 -1.600 7.408 1.00 1.30 H new ATOM 0 HZ3 TRP A 7 9.685 -1.777 3.816 1.00 1.28 H new ATOM 0 HH2 TRP A 7 8.900 -0.521 5.810 1.00 1.37 H new ATOM 101 N VAL A 8 4.018 -7.462 3.864 1.00 0.69 N ATOM 102 CA VAL A 8 2.662 -7.427 4.436 1.00 0.72 C ATOM 103 C VAL A 8 2.720 -7.705 5.937 1.00 0.79 C ATOM 104 O VAL A 8 3.366 -8.654 6.386 1.00 0.93 O ATOM 105 CB VAL A 8 1.701 -8.390 3.713 1.00 0.76 C ATOM 106 CG1 VAL A 8 0.288 -8.292 4.307 1.00 0.83 C ATOM 107 CG2 VAL A 8 1.633 -8.017 2.222 1.00 0.79 C ATOM 0 H VAL A 8 4.454 -8.383 3.910 1.00 0.69 H new ATOM 0 HA VAL A 8 2.258 -6.426 4.286 1.00 0.72 H new ATOM 0 HB VAL A 8 2.073 -9.407 3.837 1.00 0.76 H new ATOM 0 HG11 VAL A 8 -0.376 -8.980 3.783 1.00 0.83 H new ATOM 0 HG12 VAL A 8 0.319 -8.553 5.365 1.00 0.83 H new ATOM 0 HG13 VAL A 8 -0.084 -7.273 4.196 1.00 0.83 H new ATOM 0 HG21 VAL A 8 0.954 -8.697 1.708 1.00 0.79 H new ATOM 0 HG22 VAL A 8 1.270 -6.994 2.119 1.00 0.79 H new ATOM 0 HG23 VAL A 8 2.627 -8.095 1.782 1.00 0.79 H new ATOM 117 N ARG A 9 2.046 -6.843 6.704 1.00 0.77 N ATOM 118 CA ARG A 9 2.050 -6.850 8.161 1.00 0.88 C ATOM 119 C ARG A 9 1.131 -7.934 8.721 1.00 1.08 C ATOM 120 O ARG A 9 -0.090 -7.882 8.576 1.00 1.73 O ATOM 121 CB ARG A 9 1.610 -5.479 8.696 1.00 0.94 C ATOM 122 CG ARG A 9 1.981 -5.319 10.176 1.00 1.29 C ATOM 123 CD ARG A 9 1.395 -4.029 10.762 1.00 1.70 C ATOM 124 NE ARG A 9 2.243 -3.534 11.849 1.00 2.34 N ATOM 125 CZ ARG A 9 2.242 -3.818 13.141 1.00 3.03 C ATOM 126 NH1 ARG A 9 1.272 -4.493 13.727 1.00 3.43 N ATOM 127 NH2 ARG A 9 3.284 -3.409 13.833 1.00 4.10 N ATOM 0 H ARG A 9 1.467 -6.101 6.312 1.00 0.77 H new ATOM 0 HA ARG A 9 3.068 -7.064 8.487 1.00 0.88 H new ATOM 0 HB2 ARG A 9 2.082 -4.689 8.112 1.00 0.94 H new ATOM 0 HB3 ARG A 9 0.533 -5.366 8.574 1.00 0.94 H new ATOM 0 HG2 ARG A 9 1.614 -6.177 10.740 1.00 1.29 H new ATOM 0 HG3 ARG A 9 3.066 -5.309 10.282 1.00 1.29 H new ATOM 0 HD2 ARG A 9 1.313 -3.272 9.982 1.00 1.70 H new ATOM 0 HD3 ARG A 9 0.387 -4.215 11.134 1.00 1.70 H new ATOM 0 HE ARG A 9 2.951 -2.859 11.562 1.00 2.34 H new ATOM 0 HH11 ARG A 9 0.476 -4.821 13.180 1.00 3.43 H new ATOM 0 HH12 ARG A 9 1.318 -4.687 14.727 1.00 3.43 H new ATOM 0 HH21 ARG A 9 4.037 -2.902 13.369 1.00 4.10 H new ATOM 0 HH22 ARG A 9 3.338 -3.599 14.834 1.00 4.10 H new ATOM 141 N PHE A 10 1.716 -8.844 9.489 1.00 1.02 N ATOM 142 CA PHE A 10 1.019 -9.754 10.376 1.00 1.12 C ATOM 143 C PHE A 10 0.268 -8.974 11.462 1.00 1.13 C ATOM 144 O PHE A 10 0.852 -8.229 12.250 1.00 1.42 O ATOM 145 CB PHE A 10 2.050 -10.713 10.994 1.00 1.38 C ATOM 146 CG PHE A 10 1.549 -11.566 12.154 1.00 1.61 C ATOM 147 CD1 PHE A 10 0.200 -11.973 12.249 1.00 3.03 C ATOM 148 CD2 PHE A 10 2.462 -11.981 13.141 1.00 1.89 C ATOM 149 CE1 PHE A 10 -0.252 -12.693 13.365 1.00 3.24 C ATOM 150 CE2 PHE A 10 2.021 -12.749 14.234 1.00 2.03 C ATOM 151 CZ PHE A 10 0.656 -13.058 14.370 1.00 2.11 C ATOM 0 H PHE A 10 2.728 -8.970 9.509 1.00 1.02 H new ATOM 0 HA PHE A 10 0.279 -10.328 9.819 1.00 1.12 H new ATOM 0 HB2 PHE A 10 2.416 -11.377 10.211 1.00 1.38 H new ATOM 0 HB3 PHE A 10 2.902 -10.127 11.339 1.00 1.38 H new ATOM 0 HD1 PHE A 10 -0.490 -11.728 11.455 1.00 3.03 H new ATOM 0 HD2 PHE A 10 3.504 -11.709 13.059 1.00 1.89 H new ATOM 0 HE1 PHE A 10 -1.294 -12.965 13.450 1.00 3.24 H new ATOM 0 HE2 PHE A 10 2.730 -13.101 14.968 1.00 2.03 H new ATOM 0 HZ PHE A 10 0.306 -13.577 15.250 1.00 2.11 H new ATOM 161 N SER A 11 -1.038 -9.196 11.555 1.00 1.13 N ATOM 162 CA SER A 11 -1.857 -8.970 12.731 1.00 1.28 C ATOM 163 C SER A 11 -3.106 -9.876 12.655 1.00 1.46 C ATOM 164 O SER A 11 -3.419 -10.371 11.566 1.00 1.50 O ATOM 165 CB SER A 11 -2.237 -7.487 12.759 1.00 1.45 C ATOM 166 OG SER A 11 -1.114 -6.680 13.102 1.00 1.95 O ATOM 0 H SER A 11 -1.578 -9.557 10.769 1.00 1.13 H new ATOM 0 HA SER A 11 -1.321 -9.216 13.648 1.00 1.28 H new ATOM 0 HB2 SER A 11 -2.621 -7.187 11.784 1.00 1.45 H new ATOM 0 HB3 SER A 11 -3.039 -7.327 13.480 1.00 1.45 H new ATOM 0 HG SER A 11 -0.316 -7.244 13.175 1.00 1.95 H new ATOM 172 N PRO A 12 -3.797 -10.127 13.786 1.00 1.80 N ATOM 173 CA PRO A 12 -5.113 -10.739 13.822 1.00 2.18 C ATOM 174 C PRO A 12 -6.180 -9.628 13.791 1.00 2.22 C ATOM 175 O PRO A 12 -5.903 -8.495 13.405 1.00 3.52 O ATOM 176 CB PRO A 12 -5.088 -11.532 15.133 1.00 2.58 C ATOM 177 CG PRO A 12 -4.356 -10.575 16.074 1.00 2.51 C ATOM 178 CD PRO A 12 -3.401 -9.809 15.152 1.00 2.10 C ATOM 0 HA PRO A 12 -5.352 -11.388 12.980 1.00 2.18 H new ATOM 0 HB2 PRO A 12 -6.092 -11.764 15.488 1.00 2.58 H new ATOM 0 HB3 PRO A 12 -4.561 -12.480 15.026 1.00 2.58 H new ATOM 0 HG2 PRO A 12 -5.050 -9.902 16.578 1.00 2.51 H new ATOM 0 HG3 PRO A 12 -3.814 -11.115 16.851 1.00 2.51 H new ATOM 0 HD2 PRO A 12 -3.464 -8.736 15.334 1.00 2.10 H new ATOM 0 HD3 PRO A 12 -2.367 -10.103 15.334 1.00 2.10 H new ATOM 186 N GLY A 13 -7.399 -9.942 14.234 1.00 2.36 N ATOM 187 CA GLY A 13 -8.556 -9.041 14.155 1.00 2.33 C ATOM 188 C GLY A 13 -9.195 -9.022 12.755 1.00 2.07 C ATOM 189 O GLY A 13 -8.996 -9.962 11.983 1.00 2.34 O ATOM 0 H GLY A 13 -7.616 -10.841 14.664 1.00 2.36 H new ATOM 0 HA2 GLY A 13 -9.302 -9.349 14.887 1.00 2.33 H new ATOM 0 HA3 GLY A 13 -8.245 -8.031 14.422 1.00 2.33 H new ATOM 193 N PRO A 14 -10.000 -7.993 12.426 1.00 1.85 N ATOM 194 CA PRO A 14 -10.659 -7.865 11.127 1.00 1.81 C ATOM 195 C PRO A 14 -9.790 -7.158 10.074 1.00 1.40 C ATOM 196 O PRO A 14 -10.156 -7.164 8.896 1.00 1.49 O ATOM 197 CB PRO A 14 -11.921 -7.051 11.430 1.00 2.15 C ATOM 198 CG PRO A 14 -11.454 -6.097 12.530 1.00 2.15 C ATOM 199 CD PRO A 14 -10.441 -6.928 13.321 1.00 2.02 C ATOM 0 HA PRO A 14 -10.867 -8.843 10.693 1.00 1.81 H new ATOM 0 HB2 PRO A 14 -12.275 -6.512 10.551 1.00 2.15 H new ATOM 0 HB3 PRO A 14 -12.741 -7.686 11.767 1.00 2.15 H new ATOM 0 HG2 PRO A 14 -10.998 -5.198 12.114 1.00 2.15 H new ATOM 0 HG3 PRO A 14 -12.284 -5.772 13.158 1.00 2.15 H new ATOM 0 HD2 PRO A 14 -9.599 -6.314 13.640 1.00 2.02 H new ATOM 0 HD3 PRO A 14 -10.895 -7.340 14.222 1.00 2.02 H new ATOM 207 N ASN A 15 -8.668 -6.545 10.475 1.00 1.11 N ATOM 208 CA ASN A 15 -7.871 -5.643 9.646 1.00 0.88 C ATOM 209 C ASN A 15 -6.363 -5.657 9.978 1.00 0.83 C ATOM 210 O ASN A 15 -5.945 -6.055 11.063 1.00 1.03 O ATOM 211 CB ASN A 15 -8.456 -4.220 9.743 1.00 1.01 C ATOM 212 CG ASN A 15 -8.205 -3.542 11.083 1.00 1.28 C ATOM 213 OD1 ASN A 15 -8.589 -4.029 12.136 1.00 2.18 O ATOM 214 ND2 ASN A 15 -7.565 -2.388 11.083 1.00 1.78 N ATOM 0 H ASN A 15 -8.283 -6.669 11.411 1.00 1.11 H new ATOM 0 HA ASN A 15 -7.934 -6.004 8.619 1.00 0.88 H new ATOM 0 HB2 ASN A 15 -8.028 -3.607 8.950 1.00 1.01 H new ATOM 0 HB3 ASN A 15 -9.530 -4.266 9.565 1.00 1.01 H new ATOM 0 HD21 ASN A 15 -7.390 -1.902 11.962 1.00 1.78 H new ATOM 0 HD22 ASN A 15 -7.245 -1.982 10.204 1.00 1.78 H new ATOM 221 N ALA A 16 -5.549 -5.194 9.022 1.00 0.71 N ATOM 222 CA ALA A 16 -4.080 -5.200 9.043 1.00 0.90 C ATOM 223 C ALA A 16 -3.524 -4.194 8.015 1.00 0.71 C ATOM 224 O ALA A 16 -4.283 -3.377 7.493 1.00 0.53 O ATOM 225 CB ALA A 16 -3.572 -6.638 8.827 1.00 1.26 C ATOM 0 H ALA A 16 -5.918 -4.782 8.165 1.00 0.71 H new ATOM 0 HA ALA A 16 -3.713 -4.872 10.016 1.00 0.90 H new ATOM 0 HB1 ALA A 16 -2.482 -6.645 8.842 1.00 1.26 H new ATOM 0 HB2 ALA A 16 -3.950 -7.281 9.622 1.00 1.26 H new ATOM 0 HB3 ALA A 16 -3.924 -7.007 7.864 1.00 1.26 H new ATOM 231 N ALA A 17 -2.223 -4.243 7.702 1.00 1.08 N ATOM 232 CA ALA A 17 -1.581 -3.320 6.759 1.00 0.98 C ATOM 233 C ALA A 17 -0.693 -4.043 5.733 1.00 0.96 C ATOM 234 O ALA A 17 -0.138 -5.101 6.026 1.00 1.23 O ATOM 235 CB ALA A 17 -0.762 -2.299 7.558 1.00 1.15 C ATOM 0 H ALA A 17 -1.582 -4.930 8.099 1.00 1.08 H new ATOM 0 HA ALA A 17 -2.360 -2.819 6.185 1.00 0.98 H new ATOM 0 HB1 ALA A 17 -0.277 -1.604 6.872 1.00 1.15 H new ATOM 0 HB2 ALA A 17 -1.422 -1.747 8.227 1.00 1.15 H new ATOM 0 HB3 ALA A 17 -0.004 -2.819 8.144 1.00 1.15 H new ATOM 241 N ALA A 18 -0.510 -3.438 4.560 1.00 0.78 N ATOM 242 CA ALA A 18 0.545 -3.772 3.609 1.00 0.75 C ATOM 243 C ALA A 18 1.339 -2.512 3.230 1.00 0.65 C ATOM 244 O ALA A 18 0.803 -1.397 3.226 1.00 0.79 O ATOM 245 CB ALA A 18 -0.082 -4.446 2.380 1.00 0.84 C ATOM 0 H ALA A 18 -1.111 -2.679 4.237 1.00 0.78 H new ATOM 0 HA ALA A 18 1.249 -4.470 4.062 1.00 0.75 H new ATOM 0 HB1 ALA A 18 0.701 -4.699 1.665 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -0.599 -5.355 2.688 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -0.793 -3.764 1.914 1.00 0.84 H new ATOM 251 N TYR A 19 2.603 -2.709 2.853 1.00 0.60 N ATOM 252 CA TYR A 19 3.498 -1.662 2.342 1.00 0.63 C ATOM 253 C TYR A 19 4.375 -2.191 1.197 1.00 0.71 C ATOM 254 O TYR A 19 4.670 -3.386 1.140 1.00 0.87 O ATOM 255 CB TYR A 19 4.420 -1.122 3.448 1.00 0.67 C ATOM 256 CG TYR A 19 3.922 -1.218 4.874 1.00 0.64 C ATOM 257 CD1 TYR A 19 4.079 -2.439 5.550 1.00 2.11 C ATOM 258 CD2 TYR A 19 3.360 -0.112 5.541 1.00 1.77 C ATOM 259 CE1 TYR A 19 3.757 -2.538 6.909 1.00 2.31 C ATOM 260 CE2 TYR A 19 3.024 -0.213 6.907 1.00 1.63 C ATOM 261 CZ TYR A 19 3.289 -1.413 7.609 1.00 0.91 C ATOM 262 OH TYR A 19 3.166 -1.479 8.962 1.00 1.23 O ATOM 0 H TYR A 19 3.048 -3.626 2.895 1.00 0.60 H new ATOM 0 HA TYR A 19 2.859 -0.858 1.976 1.00 0.63 H new ATOM 0 HB2 TYR A 19 5.369 -1.654 3.386 1.00 0.67 H new ATOM 0 HB3 TYR A 19 4.627 -0.074 3.233 1.00 0.67 H new ATOM 0 HD1 TYR A 19 4.449 -3.304 5.020 1.00 2.11 H new ATOM 0 HD2 TYR A 19 3.187 0.811 5.008 1.00 1.77 H new ATOM 0 HE1 TYR A 19 3.869 -3.482 7.421 1.00 2.31 H new ATOM 0 HE2 TYR A 19 2.566 0.622 7.416 1.00 1.63 H new ATOM 0 HH TYR A 19 3.669 -2.250 9.299 1.00 1.23 H new ATOM 272 N LEU A 20 4.859 -1.299 0.331 1.00 0.68 N ATOM 273 CA LEU A 20 5.710 -1.683 -0.791 1.00 0.75 C ATOM 274 C LEU A 20 6.474 -0.520 -1.404 1.00 0.78 C ATOM 275 O LEU A 20 6.016 0.622 -1.413 1.00 0.78 O ATOM 276 CB LEU A 20 4.949 -2.504 -1.863 1.00 0.80 C ATOM 277 CG LEU A 20 3.990 -1.727 -2.793 1.00 0.92 C ATOM 278 CD1 LEU A 20 3.549 -2.642 -3.942 1.00 1.16 C ATOM 279 CD2 LEU A 20 2.746 -1.196 -2.069 1.00 1.52 C ATOM 0 H LEU A 20 4.673 -0.298 0.389 1.00 0.68 H new ATOM 0 HA LEU A 20 6.465 -2.341 -0.360 1.00 0.75 H new ATOM 0 HB2 LEU A 20 5.685 -3.013 -2.485 1.00 0.80 H new ATOM 0 HB3 LEU A 20 4.374 -3.276 -1.353 1.00 0.80 H new ATOM 0 HG LEU A 20 4.539 -0.862 -3.166 1.00 0.92 H new ATOM 0 HD11 LEU A 20 2.872 -2.098 -4.601 1.00 1.16 H new ATOM 0 HD12 LEU A 20 4.424 -2.965 -4.507 1.00 1.16 H new ATOM 0 HD13 LEU A 20 3.037 -3.515 -3.536 1.00 1.16 H new ATOM 0 HD21 LEU A 20 2.114 -0.660 -2.777 1.00 1.52 H new ATOM 0 HD22 LEU A 20 2.188 -2.031 -1.644 1.00 1.52 H new ATOM 0 HD23 LEU A 20 3.051 -0.519 -1.271 1.00 1.52 H new ATOM 291 N THR A 21 7.609 -0.858 -2.000 1.00 0.88 N ATOM 292 CA THR A 21 8.162 -0.103 -3.114 1.00 0.83 C ATOM 293 C THR A 21 7.397 -0.493 -4.371 1.00 0.87 C ATOM 294 O THR A 21 7.071 -1.659 -4.574 1.00 1.12 O ATOM 295 CB THR A 21 9.653 -0.394 -3.207 1.00 0.95 C ATOM 296 OG1 THR A 21 10.228 0.296 -2.121 1.00 1.23 O ATOM 297 CG2 THR A 21 10.264 0.065 -4.524 1.00 1.24 C ATOM 0 H THR A 21 8.172 -1.663 -1.725 1.00 0.88 H new ATOM 0 HA THR A 21 8.054 0.973 -2.979 1.00 0.83 H new ATOM 0 HB THR A 21 9.839 -1.467 -3.171 1.00 0.95 H new ATOM 0 HG1 THR A 21 11.028 0.775 -2.424 1.00 1.23 H new ATOM 0 HG21 THR A 21 11.329 -0.169 -4.532 1.00 1.24 H new ATOM 0 HG22 THR A 21 9.773 -0.448 -5.351 1.00 1.24 H new ATOM 0 HG23 THR A 21 10.128 1.141 -4.633 1.00 1.24 H new ATOM 305 N LEU A 22 7.113 0.495 -5.218 1.00 0.90 N ATOM 306 CA LEU A 22 6.454 0.320 -6.510 1.00 1.00 C ATOM 307 C LEU A 22 7.076 1.307 -7.504 1.00 0.89 C ATOM 308 O LEU A 22 7.299 2.478 -7.174 1.00 0.97 O ATOM 309 CB LEU A 22 4.929 0.485 -6.306 1.00 1.32 C ATOM 310 CG LEU A 22 3.985 0.246 -7.505 1.00 1.51 C ATOM 311 CD1 LEU A 22 3.890 1.480 -8.412 1.00 1.97 C ATOM 312 CD2 LEU A 22 4.344 -1.017 -8.303 1.00 2.23 C ATOM 0 H LEU A 22 7.342 1.468 -5.018 1.00 0.90 H new ATOM 0 HA LEU A 22 6.601 -0.675 -6.930 1.00 1.00 H new ATOM 0 HB2 LEU A 22 4.628 -0.195 -5.509 1.00 1.32 H new ATOM 0 HB3 LEU A 22 4.753 1.498 -5.945 1.00 1.32 H new ATOM 0 HG LEU A 22 2.995 0.073 -7.082 1.00 1.51 H new ATOM 0 HD11 LEU A 22 3.216 1.270 -9.243 1.00 1.97 H new ATOM 0 HD12 LEU A 22 3.507 2.324 -7.839 1.00 1.97 H new ATOM 0 HD13 LEU A 22 4.879 1.724 -8.800 1.00 1.97 H new ATOM 0 HD21 LEU A 22 3.647 -1.133 -9.133 1.00 2.23 H new ATOM 0 HD22 LEU A 22 5.358 -0.926 -8.691 1.00 2.23 H new ATOM 0 HD23 LEU A 22 4.282 -1.889 -7.652 1.00 2.23 H new ATOM 324 N GLU A 23 7.385 0.826 -8.710 1.00 0.88 N ATOM 325 CA GLU A 23 8.161 1.573 -9.694 1.00 0.83 C ATOM 326 C GLU A 23 7.796 1.263 -11.141 1.00 0.81 C ATOM 327 O GLU A 23 7.229 0.218 -11.452 1.00 0.99 O ATOM 328 CB GLU A 23 9.657 1.394 -9.431 1.00 1.21 C ATOM 329 CG GLU A 23 10.333 0.066 -9.777 1.00 1.49 C ATOM 330 CD GLU A 23 11.761 0.057 -9.206 1.00 2.19 C ATOM 331 OE1 GLU A 23 12.330 1.147 -8.947 1.00 3.42 O ATOM 332 OE2 GLU A 23 12.271 -1.031 -8.876 1.00 2.28 O ATOM 0 H GLU A 23 7.100 -0.100 -9.031 1.00 0.88 H new ATOM 0 HA GLU A 23 7.900 2.623 -9.564 1.00 0.83 H new ATOM 0 HB2 GLU A 23 10.180 2.178 -9.978 1.00 1.21 H new ATOM 0 HB3 GLU A 23 9.826 1.579 -8.370 1.00 1.21 H new ATOM 0 HG2 GLU A 23 9.760 -0.765 -9.366 1.00 1.49 H new ATOM 0 HG3 GLU A 23 10.361 -0.070 -10.858 1.00 1.49 H new ATOM 339 N ASN A 24 8.118 2.215 -12.015 1.00 0.85 N ATOM 340 CA ASN A 24 7.664 2.258 -13.396 1.00 0.85 C ATOM 341 C ASN A 24 8.849 2.109 -14.370 1.00 0.90 C ATOM 342 O ASN A 24 9.605 3.064 -14.558 1.00 0.98 O ATOM 343 CB ASN A 24 6.944 3.596 -13.597 1.00 0.84 C ATOM 344 CG ASN A 24 6.212 3.669 -14.926 1.00 0.81 C ATOM 345 OD1 ASN A 24 6.426 2.882 -15.838 1.00 0.89 O ATOM 346 ND2 ASN A 24 5.327 4.634 -15.059 1.00 0.85 N ATOM 0 H ASN A 24 8.721 3.000 -11.770 1.00 0.85 H new ATOM 0 HA ASN A 24 6.986 1.430 -13.603 1.00 0.85 H new ATOM 0 HB2 ASN A 24 6.233 3.748 -12.785 1.00 0.84 H new ATOM 0 HB3 ASN A 24 7.670 4.407 -13.541 1.00 0.84 H new ATOM 0 HD21 ASN A 24 4.808 4.734 -15.932 1.00 0.85 H new ATOM 0 HD22 ASN A 24 5.160 5.282 -14.289 1.00 0.85 H new ATOM 353 N PRO A 25 9.025 0.943 -15.016 1.00 0.94 N ATOM 354 CA PRO A 25 10.086 0.741 -15.999 1.00 1.02 C ATOM 355 C PRO A 25 9.743 1.285 -17.395 1.00 1.06 C ATOM 356 O PRO A 25 10.650 1.440 -18.214 1.00 1.08 O ATOM 357 CB PRO A 25 10.285 -0.778 -16.031 1.00 1.08 C ATOM 358 CG PRO A 25 8.882 -1.315 -15.739 1.00 1.06 C ATOM 359 CD PRO A 25 8.330 -0.307 -14.738 1.00 0.96 C ATOM 0 HA PRO A 25 10.986 1.289 -15.718 1.00 1.02 H new ATOM 0 HB2 PRO A 25 10.653 -1.117 -16.999 1.00 1.08 H new ATOM 0 HB3 PRO A 25 11.007 -1.106 -15.283 1.00 1.08 H new ATOM 0 HG2 PRO A 25 8.272 -1.363 -16.641 1.00 1.06 H new ATOM 0 HG3 PRO A 25 8.914 -2.322 -15.322 1.00 1.06 H new ATOM 0 HD2 PRO A 25 7.252 -0.190 -14.853 1.00 0.96 H new ATOM 0 HD3 PRO A 25 8.507 -0.635 -13.714 1.00 0.96 H new ATOM 367 N GLY A 26 8.468 1.582 -17.688 1.00 1.11 N ATOM 368 CA GLY A 26 8.022 2.058 -18.997 1.00 1.18 C ATOM 369 C GLY A 26 8.225 3.557 -19.184 1.00 1.13 C ATOM 370 O GLY A 26 8.936 4.210 -18.422 1.00 1.25 O ATOM 0 H GLY A 26 7.711 1.496 -17.010 1.00 1.11 H new ATOM 0 HA2 GLY A 26 8.564 1.523 -19.777 1.00 1.18 H new ATOM 0 HA3 GLY A 26 6.966 1.821 -19.124 1.00 1.18 H new ATOM 374 N ASP A 27 7.616 4.087 -20.241 1.00 1.07 N ATOM 375 CA ASP A 27 7.762 5.477 -20.704 1.00 1.09 C ATOM 376 C ASP A 27 6.423 6.241 -20.631 1.00 1.18 C ATOM 377 O ASP A 27 6.245 7.300 -21.230 1.00 1.48 O ATOM 378 CB ASP A 27 8.382 5.440 -22.111 1.00 1.15 C ATOM 379 CG ASP A 27 9.789 4.835 -22.042 1.00 1.58 C ATOM 380 OD1 ASP A 27 10.761 5.595 -21.855 1.00 2.22 O ATOM 381 OD2 ASP A 27 9.914 3.588 -21.996 1.00 2.64 O ATOM 0 H ASP A 27 6.981 3.544 -20.826 1.00 1.07 H new ATOM 0 HA ASP A 27 8.429 6.037 -20.049 1.00 1.09 H new ATOM 0 HB2 ASP A 27 7.755 4.850 -22.779 1.00 1.15 H new ATOM 0 HB3 ASP A 27 8.429 6.447 -22.524 1.00 1.15 H new ATOM 386 N LEU A 28 5.470 5.682 -19.877 1.00 1.09 N ATOM 387 CA LEU A 28 4.092 6.144 -19.708 1.00 1.28 C ATOM 388 C LEU A 28 3.839 6.455 -18.218 1.00 0.90 C ATOM 389 O LEU A 28 4.565 5.940 -17.371 1.00 0.70 O ATOM 390 CB LEU A 28 3.118 5.035 -20.166 1.00 1.85 C ATOM 391 CG LEU A 28 3.533 4.185 -21.390 1.00 1.77 C ATOM 392 CD1 LEU A 28 2.588 2.984 -21.514 1.00 3.19 C ATOM 393 CD2 LEU A 28 3.525 5.015 -22.680 1.00 1.91 C ATOM 0 H LEU A 28 5.656 4.839 -19.334 1.00 1.09 H new ATOM 0 HA LEU A 28 3.933 7.042 -20.306 1.00 1.28 H new ATOM 0 HB2 LEU A 28 2.957 4.360 -19.326 1.00 1.85 H new ATOM 0 HB3 LEU A 28 2.158 5.501 -20.389 1.00 1.85 H new ATOM 0 HG LEU A 28 4.554 3.833 -21.240 1.00 1.77 H new ATOM 0 HD11 LEU A 28 2.876 2.382 -22.375 1.00 3.19 H new ATOM 0 HD12 LEU A 28 2.650 2.378 -20.610 1.00 3.19 H new ATOM 0 HD13 LEU A 28 1.565 3.338 -21.645 1.00 3.19 H new ATOM 0 HD21 LEU A 28 3.822 4.386 -23.519 1.00 1.91 H new ATOM 0 HD22 LEU A 28 2.522 5.405 -22.855 1.00 1.91 H new ATOM 0 HD23 LEU A 28 4.225 5.845 -22.583 1.00 1.91 H new ATOM 405 N PRO A 29 2.797 7.220 -17.849 1.00 1.06 N ATOM 406 CA PRO A 29 2.454 7.476 -16.453 1.00 0.99 C ATOM 407 C PRO A 29 1.633 6.313 -15.867 1.00 0.87 C ATOM 408 O PRO A 29 0.977 5.578 -16.608 1.00 1.01 O ATOM 409 CB PRO A 29 1.664 8.784 -16.485 1.00 1.35 C ATOM 410 CG PRO A 29 0.956 8.745 -17.845 1.00 1.58 C ATOM 411 CD PRO A 29 1.854 7.880 -18.734 1.00 1.51 C ATOM 0 HA PRO A 29 3.331 7.557 -15.811 1.00 0.99 H new ATOM 0 HB2 PRO A 29 0.950 8.841 -15.663 1.00 1.35 H new ATOM 0 HB3 PRO A 29 2.320 9.651 -16.399 1.00 1.35 H new ATOM 0 HG2 PRO A 29 -0.043 8.317 -17.758 1.00 1.58 H new ATOM 0 HG3 PRO A 29 0.839 9.747 -18.258 1.00 1.58 H new ATOM 0 HD2 PRO A 29 1.264 7.149 -19.287 1.00 1.51 H new ATOM 0 HD3 PRO A 29 2.376 8.491 -19.470 1.00 1.51 H new ATOM 419 N LEU A 30 1.642 6.156 -14.537 1.00 0.78 N ATOM 420 CA LEU A 30 1.060 4.999 -13.834 1.00 0.66 C ATOM 421 C LEU A 30 0.308 5.440 -12.581 1.00 0.74 C ATOM 422 O LEU A 30 0.908 5.730 -11.550 1.00 1.26 O ATOM 423 CB LEU A 30 2.166 3.997 -13.478 1.00 0.80 C ATOM 424 CG LEU A 30 1.947 2.581 -14.027 1.00 1.03 C ATOM 425 CD1 LEU A 30 2.039 2.509 -15.551 1.00 2.32 C ATOM 426 CD2 LEU A 30 2.975 1.614 -13.447 1.00 1.83 C ATOM 0 H LEU A 30 2.060 6.840 -13.906 1.00 0.78 H new ATOM 0 HA LEU A 30 0.343 4.515 -14.497 1.00 0.66 H new ATOM 0 HB2 LEU A 30 3.116 4.376 -13.855 1.00 0.80 H new ATOM 0 HB3 LEU A 30 2.253 3.942 -12.393 1.00 0.80 H new ATOM 0 HG LEU A 30 0.937 2.302 -13.728 1.00 1.03 H new ATOM 0 HD11 LEU A 30 1.875 1.482 -15.877 1.00 2.32 H new ATOM 0 HD12 LEU A 30 1.280 3.155 -15.992 1.00 2.32 H new ATOM 0 HD13 LEU A 30 3.027 2.838 -15.872 1.00 2.32 H new ATOM 0 HD21 LEU A 30 2.802 0.616 -13.849 1.00 1.83 H new ATOM 0 HD22 LEU A 30 3.978 1.945 -13.716 1.00 1.83 H new ATOM 0 HD23 LEU A 30 2.880 1.590 -12.361 1.00 1.83 H new ATOM 438 N ARG A 31 -1.015 5.447 -12.688 1.00 0.53 N ATOM 439 CA ARG A 31 -1.949 5.827 -11.610 1.00 0.50 C ATOM 440 C ARG A 31 -2.468 4.594 -10.860 1.00 0.47 C ATOM 441 O ARG A 31 -3.274 3.839 -11.402 1.00 0.49 O ATOM 442 CB ARG A 31 -3.076 6.725 -12.157 1.00 0.55 C ATOM 443 CG ARG A 31 -3.913 7.381 -11.038 1.00 0.60 C ATOM 444 CD ARG A 31 -4.779 8.568 -11.504 1.00 0.74 C ATOM 445 NE ARG A 31 -3.975 9.777 -11.755 1.00 1.48 N ATOM 446 CZ ARG A 31 -4.368 11.040 -11.885 1.00 2.07 C ATOM 447 NH1 ARG A 31 -5.638 11.402 -11.915 1.00 2.68 N ATOM 448 NH2 ARG A 31 -3.452 11.973 -11.985 1.00 3.12 N ATOM 0 H ARG A 31 -1.492 5.182 -13.550 1.00 0.53 H new ATOM 0 HA ARG A 31 -1.408 6.420 -10.872 1.00 0.50 H new ATOM 0 HB2 ARG A 31 -2.642 7.504 -12.784 1.00 0.55 H new ATOM 0 HB3 ARG A 31 -3.731 6.131 -12.794 1.00 0.55 H new ATOM 0 HG2 ARG A 31 -4.562 6.625 -10.596 1.00 0.60 H new ATOM 0 HG3 ARG A 31 -3.241 7.724 -10.252 1.00 0.60 H new ATOM 0 HD2 ARG A 31 -5.312 8.292 -12.414 1.00 0.74 H new ATOM 0 HD3 ARG A 31 -5.533 8.785 -10.747 1.00 0.74 H new ATOM 0 HE ARG A 31 -2.971 9.622 -11.842 1.00 1.48 H new ATOM 0 HH11 ARG A 31 -6.371 10.697 -11.836 1.00 2.68 H new ATOM 0 HH12 ARG A 31 -5.885 12.386 -12.017 1.00 2.68 H new ATOM 0 HH21 ARG A 31 -2.464 11.722 -11.962 1.00 3.12 H new ATOM 0 HH22 ARG A 31 -3.728 12.950 -12.086 1.00 3.12 H new ATOM 462 N LEU A 32 -1.980 4.380 -9.639 1.00 0.48 N ATOM 463 CA LEU A 32 -2.295 3.262 -8.743 1.00 0.45 C ATOM 464 C LEU A 32 -3.547 3.623 -7.928 1.00 0.46 C ATOM 465 O LEU A 32 -3.511 4.548 -7.121 1.00 0.56 O ATOM 466 CB LEU A 32 -1.051 3.030 -7.860 1.00 0.49 C ATOM 467 CG LEU A 32 -1.175 1.946 -6.766 1.00 0.49 C ATOM 468 CD1 LEU A 32 -1.222 0.534 -7.363 1.00 0.58 C ATOM 469 CD2 LEU A 32 0.033 2.042 -5.822 1.00 0.72 C ATOM 0 H LEU A 32 -1.310 5.024 -9.219 1.00 0.48 H new ATOM 0 HA LEU A 32 -2.520 2.340 -9.279 1.00 0.45 H new ATOM 0 HB2 LEU A 32 -0.216 2.766 -8.509 1.00 0.49 H new ATOM 0 HB3 LEU A 32 -0.794 3.973 -7.378 1.00 0.49 H new ATOM 0 HG LEU A 32 -2.107 2.120 -6.228 1.00 0.49 H new ATOM 0 HD11 LEU A 32 -1.309 -0.198 -6.560 1.00 0.58 H new ATOM 0 HD12 LEU A 32 -2.082 0.448 -8.027 1.00 0.58 H new ATOM 0 HD13 LEU A 32 -0.308 0.347 -7.927 1.00 0.58 H new ATOM 0 HD21 LEU A 32 -0.049 1.279 -5.048 1.00 0.72 H new ATOM 0 HD22 LEU A 32 0.951 1.887 -6.389 1.00 0.72 H new ATOM 0 HD23 LEU A 32 0.055 3.028 -5.359 1.00 0.72 H new ATOM 481 N VAL A 33 -4.652 2.908 -8.144 1.00 0.44 N ATOM 482 CA VAL A 33 -5.991 3.268 -7.623 1.00 0.48 C ATOM 483 C VAL A 33 -6.469 2.357 -6.479 1.00 0.53 C ATOM 484 O VAL A 33 -7.463 2.658 -5.820 1.00 0.59 O ATOM 485 CB VAL A 33 -7.058 3.308 -8.750 1.00 0.51 C ATOM 486 CG1 VAL A 33 -6.725 4.386 -9.798 1.00 0.52 C ATOM 487 CG2 VAL A 33 -7.229 1.964 -9.483 1.00 0.54 C ATOM 0 H VAL A 33 -4.652 2.048 -8.693 1.00 0.44 H new ATOM 0 HA VAL A 33 -5.875 4.270 -7.209 1.00 0.48 H new ATOM 0 HB VAL A 33 -7.993 3.542 -8.242 1.00 0.51 H new ATOM 0 HG11 VAL A 33 -7.491 4.388 -10.573 1.00 0.52 H new ATOM 0 HG12 VAL A 33 -6.693 5.364 -9.317 1.00 0.52 H new ATOM 0 HG13 VAL A 33 -5.755 4.170 -10.247 1.00 0.52 H new ATOM 0 HG21 VAL A 33 -7.990 2.066 -10.257 1.00 0.54 H new ATOM 0 HG22 VAL A 33 -6.282 1.676 -9.941 1.00 0.54 H new ATOM 0 HG23 VAL A 33 -7.536 1.198 -8.771 1.00 0.54 H new ATOM 497 N GLY A 34 -5.776 1.237 -6.230 1.00 0.54 N ATOM 498 CA GLY A 34 -6.105 0.310 -5.152 1.00 0.60 C ATOM 499 C GLY A 34 -5.255 -0.952 -5.196 1.00 0.59 C ATOM 500 O GLY A 34 -4.210 -1.001 -5.847 1.00 0.59 O ATOM 0 H GLY A 34 -4.965 0.952 -6.779 1.00 0.54 H new ATOM 0 HA2 GLY A 34 -5.964 0.807 -4.192 1.00 0.60 H new ATOM 0 HA3 GLY A 34 -7.159 0.038 -5.218 1.00 0.60 H new ATOM 504 N ALA A 35 -5.730 -1.987 -4.511 1.00 0.66 N ATOM 505 CA ALA A 35 -5.114 -3.310 -4.488 1.00 0.73 C ATOM 506 C ALA A 35 -6.170 -4.418 -4.316 1.00 0.72 C ATOM 507 O ALA A 35 -7.347 -4.101 -4.121 1.00 0.80 O ATOM 508 CB ALA A 35 -4.079 -3.320 -3.352 1.00 1.03 C ATOM 0 H ALA A 35 -6.575 -1.928 -3.942 1.00 0.66 H new ATOM 0 HA ALA A 35 -4.620 -3.515 -5.438 1.00 0.73 H new ATOM 0 HB1 ALA A 35 -3.598 -4.297 -3.306 1.00 1.03 H new ATOM 0 HB2 ALA A 35 -3.327 -2.554 -3.539 1.00 1.03 H new ATOM 0 HB3 ALA A 35 -4.577 -3.116 -2.404 1.00 1.03 H new ATOM 514 N ARG A 36 -5.775 -5.700 -4.329 1.00 0.75 N ATOM 515 CA ARG A 36 -6.693 -6.807 -4.011 1.00 0.80 C ATOM 516 C ARG A 36 -5.855 -8.010 -3.615 1.00 0.79 C ATOM 517 O ARG A 36 -4.941 -8.366 -4.343 1.00 0.92 O ATOM 518 CB ARG A 36 -7.660 -7.047 -5.200 1.00 1.00 C ATOM 519 CG ARG A 36 -7.973 -8.488 -5.646 1.00 1.48 C ATOM 520 CD ARG A 36 -8.677 -9.395 -4.623 1.00 2.77 C ATOM 521 NE ARG A 36 -9.438 -10.517 -5.217 1.00 3.63 N ATOM 522 CZ ARG A 36 -9.097 -11.370 -6.187 1.00 4.27 C ATOM 523 NH1 ARG A 36 -7.972 -11.328 -6.865 1.00 4.60 N ATOM 524 NH2 ARG A 36 -9.936 -12.329 -6.508 1.00 5.41 N ATOM 0 H ARG A 36 -4.826 -5.997 -4.556 1.00 0.75 H new ATOM 0 HA ARG A 36 -7.340 -6.578 -3.164 1.00 0.80 H new ATOM 0 HB2 ARG A 36 -8.608 -6.569 -4.951 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -7.254 -6.519 -6.063 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -8.594 -8.439 -6.540 1.00 1.48 H new ATOM 0 HG3 ARG A 36 -7.036 -8.965 -5.934 1.00 1.48 H new ATOM 0 HD2 ARG A 36 -7.929 -9.801 -3.941 1.00 2.77 H new ATOM 0 HD3 ARG A 36 -9.357 -8.788 -4.026 1.00 2.77 H new ATOM 0 HE ARG A 36 -10.368 -10.662 -4.824 1.00 3.63 H new ATOM 0 HH11 ARG A 36 -7.282 -10.604 -6.664 1.00 4.60 H new ATOM 0 HH12 ARG A 36 -7.789 -12.019 -7.592 1.00 4.60 H new ATOM 0 HH21 ARG A 36 -10.828 -12.411 -6.020 1.00 5.41 H new ATOM 0 HH22 ARG A 36 -9.696 -12.991 -7.246 1.00 5.41 H new ATOM 538 N THR A 37 -6.150 -8.650 -2.483 1.00 0.80 N ATOM 539 CA THR A 37 -5.443 -9.843 -1.996 1.00 0.78 C ATOM 540 C THR A 37 -6.465 -10.871 -1.511 1.00 0.93 C ATOM 541 O THR A 37 -7.503 -10.451 -1.005 1.00 1.03 O ATOM 542 CB THR A 37 -4.449 -9.465 -0.889 1.00 0.63 C ATOM 543 OG1 THR A 37 -3.911 -10.657 -0.376 1.00 0.78 O ATOM 544 CG2 THR A 37 -5.053 -8.683 0.280 1.00 0.63 C ATOM 0 H THR A 37 -6.903 -8.350 -1.863 1.00 0.80 H new ATOM 0 HA THR A 37 -4.866 -10.286 -2.808 1.00 0.78 H new ATOM 0 HB THR A 37 -3.709 -8.809 -1.347 1.00 0.63 H new ATOM 0 HG1 THR A 37 -3.138 -10.925 -0.915 1.00 0.78 H new ATOM 0 HG21 THR A 37 -4.275 -8.462 1.011 1.00 0.63 H new ATOM 0 HG22 THR A 37 -5.481 -7.750 -0.088 1.00 0.63 H new ATOM 0 HG23 THR A 37 -5.834 -9.279 0.751 1.00 0.63 H new ATOM 552 N PRO A 38 -6.214 -12.187 -1.636 1.00 1.03 N ATOM 553 CA PRO A 38 -7.065 -13.197 -1.024 1.00 1.14 C ATOM 554 C PRO A 38 -6.901 -13.266 0.491 1.00 0.91 C ATOM 555 O PRO A 38 -7.758 -13.850 1.141 1.00 1.04 O ATOM 556 CB PRO A 38 -6.643 -14.507 -1.671 1.00 1.42 C ATOM 557 CG PRO A 38 -5.170 -14.300 -1.979 1.00 1.37 C ATOM 558 CD PRO A 38 -5.113 -12.824 -2.349 1.00 1.16 C ATOM 0 HA PRO A 38 -8.118 -12.966 -1.184 1.00 1.14 H new ATOM 0 HB2 PRO A 38 -6.797 -15.352 -1.000 1.00 1.42 H new ATOM 0 HB3 PRO A 38 -7.216 -14.710 -2.576 1.00 1.42 H new ATOM 0 HG2 PRO A 38 -4.540 -14.527 -1.119 1.00 1.37 H new ATOM 0 HG3 PRO A 38 -4.834 -14.936 -2.797 1.00 1.37 H new ATOM 0 HD2 PRO A 38 -4.157 -12.386 -2.061 1.00 1.16 H new ATOM 0 HD3 PRO A 38 -5.215 -12.688 -3.426 1.00 1.16 H new ATOM 566 N VAL A 39 -5.843 -12.672 1.058 1.00 0.73 N ATOM 567 CA VAL A 39 -5.667 -12.588 2.528 1.00 0.72 C ATOM 568 C VAL A 39 -6.578 -11.545 3.188 1.00 0.71 C ATOM 569 O VAL A 39 -6.555 -11.416 4.407 1.00 0.85 O ATOM 570 CB VAL A 39 -4.199 -12.423 3.007 1.00 0.73 C ATOM 571 CG1 VAL A 39 -3.283 -13.311 2.161 1.00 0.81 C ATOM 572 CG2 VAL A 39 -3.648 -10.987 3.061 1.00 0.74 C ATOM 0 H VAL A 39 -5.089 -12.239 0.525 1.00 0.73 H new ATOM 0 HA VAL A 39 -5.982 -13.574 2.870 1.00 0.72 H new ATOM 0 HB VAL A 39 -4.213 -12.735 4.051 1.00 0.73 H new ATOM 0 HG11 VAL A 39 -2.253 -13.195 2.497 1.00 0.81 H new ATOM 0 HG12 VAL A 39 -3.585 -14.353 2.269 1.00 0.81 H new ATOM 0 HG13 VAL A 39 -3.358 -13.018 1.114 1.00 0.81 H new ATOM 0 HG21 VAL A 39 -2.616 -11.006 3.410 1.00 0.74 H new ATOM 0 HG22 VAL A 39 -3.686 -10.545 2.065 1.00 0.74 H new ATOM 0 HG23 VAL A 39 -4.252 -10.391 3.746 1.00 0.74 H new ATOM 582 N ALA A 40 -7.395 -10.835 2.399 1.00 0.65 N ATOM 583 CA ALA A 40 -8.385 -9.847 2.831 1.00 0.68 C ATOM 584 C ALA A 40 -9.672 -9.972 1.985 1.00 0.77 C ATOM 585 O ALA A 40 -9.800 -10.893 1.177 1.00 1.24 O ATOM 586 CB ALA A 40 -7.756 -8.446 2.748 1.00 0.80 C ATOM 0 H ALA A 40 -7.380 -10.943 1.385 1.00 0.65 H new ATOM 0 HA ALA A 40 -8.676 -10.026 3.866 1.00 0.68 H new ATOM 0 HB1 ALA A 40 -8.484 -7.701 3.068 1.00 0.80 H new ATOM 0 HB2 ALA A 40 -6.882 -8.401 3.397 1.00 0.80 H new ATOM 0 HB3 ALA A 40 -7.456 -8.242 1.720 1.00 0.80 H new ATOM 592 N GLU A 41 -10.614 -9.042 2.145 1.00 0.75 N ATOM 593 CA GLU A 41 -11.748 -8.837 1.237 1.00 0.95 C ATOM 594 C GLU A 41 -11.547 -7.565 0.402 1.00 1.13 C ATOM 595 O GLU A 41 -11.518 -7.619 -0.826 1.00 1.44 O ATOM 596 CB GLU A 41 -13.057 -8.771 2.050 1.00 1.19 C ATOM 597 CG GLU A 41 -14.300 -9.021 1.184 1.00 1.48 C ATOM 598 CD GLU A 41 -14.321 -10.479 0.741 1.00 1.99 C ATOM 599 OE1 GLU A 41 -14.656 -11.338 1.583 1.00 2.63 O ATOM 600 OE2 GLU A 41 -13.775 -10.793 -0.341 1.00 3.03 O ATOM 0 H GLU A 41 -10.611 -8.392 2.931 1.00 0.75 H new ATOM 0 HA GLU A 41 -11.811 -9.677 0.546 1.00 0.95 H new ATOM 0 HB2 GLU A 41 -13.021 -9.510 2.851 1.00 1.19 H new ATOM 0 HB3 GLU A 41 -13.138 -7.792 2.523 1.00 1.19 H new ATOM 0 HG2 GLU A 41 -15.203 -8.787 1.748 1.00 1.48 H new ATOM 0 HG3 GLU A 41 -14.289 -8.365 0.314 1.00 1.48 H new ATOM 607 N ARG A 42 -11.343 -6.423 1.071 1.00 1.23 N ATOM 608 CA ARG A 42 -11.045 -5.131 0.447 1.00 1.52 C ATOM 609 C ARG A 42 -9.691 -4.598 0.916 1.00 1.20 C ATOM 610 O ARG A 42 -9.137 -5.053 1.918 1.00 1.43 O ATOM 611 CB ARG A 42 -12.199 -4.141 0.705 1.00 1.95 C ATOM 612 CG ARG A 42 -12.155 -3.420 2.067 1.00 1.43 C ATOM 613 CD ARG A 42 -13.476 -2.679 2.333 1.00 1.58 C ATOM 614 NE ARG A 42 -13.306 -1.501 3.203 1.00 2.22 N ATOM 615 CZ ARG A 42 -14.111 -1.068 4.166 1.00 2.68 C ATOM 616 NH1 ARG A 42 -15.149 -1.765 4.586 1.00 3.02 N ATOM 617 NH2 ARG A 42 -13.852 0.102 4.701 1.00 4.15 N ATOM 0 H ARG A 42 -11.382 -6.373 2.089 1.00 1.23 H new ATOM 0 HA ARG A 42 -10.966 -5.262 -0.632 1.00 1.52 H new ATOM 0 HB2 ARG A 42 -12.196 -3.390 -0.085 1.00 1.95 H new ATOM 0 HB3 ARG A 42 -13.143 -4.681 0.628 1.00 1.95 H new ATOM 0 HG2 ARG A 42 -11.972 -4.144 2.861 1.00 1.43 H new ATOM 0 HG3 ARG A 42 -11.326 -2.713 2.083 1.00 1.43 H new ATOM 0 HD2 ARG A 42 -13.908 -2.364 1.383 1.00 1.58 H new ATOM 0 HD3 ARG A 42 -14.186 -3.366 2.794 1.00 1.58 H new ATOM 0 HE ARG A 42 -12.463 -0.949 3.045 1.00 2.22 H new ATOM 0 HH11 ARG A 42 -15.357 -2.672 4.168 1.00 3.02 H new ATOM 0 HH12 ARG A 42 -15.744 -1.397 5.329 1.00 3.02 H new ATOM 0 HH21 ARG A 42 -13.054 0.647 4.375 1.00 4.15 H new ATOM 0 HH22 ARG A 42 -14.449 0.467 5.443 1.00 4.15 H new ATOM 631 N VAL A 43 -9.180 -3.593 0.214 1.00 1.01 N ATOM 632 CA VAL A 43 -7.988 -2.845 0.616 1.00 0.85 C ATOM 633 C VAL A 43 -8.022 -1.458 -0.014 1.00 1.03 C ATOM 634 O VAL A 43 -8.377 -1.308 -1.184 1.00 1.55 O ATOM 635 CB VAL A 43 -6.663 -3.615 0.368 1.00 1.48 C ATOM 636 CG1 VAL A 43 -6.653 -4.363 -0.970 1.00 2.08 C ATOM 637 CG2 VAL A 43 -5.419 -2.712 0.394 1.00 1.58 C ATOM 0 H VAL A 43 -9.586 -3.268 -0.664 1.00 1.01 H new ATOM 0 HA VAL A 43 -8.009 -2.721 1.699 1.00 0.85 H new ATOM 0 HB VAL A 43 -6.618 -4.323 1.196 1.00 1.48 H new ATOM 0 HG11 VAL A 43 -5.702 -4.883 -1.089 1.00 2.08 H new ATOM 0 HG12 VAL A 43 -7.467 -5.087 -0.988 1.00 2.08 H new ATOM 0 HG13 VAL A 43 -6.782 -3.651 -1.786 1.00 2.08 H new ATOM 0 HG21 VAL A 43 -4.528 -3.314 0.214 1.00 1.58 H new ATOM 0 HG22 VAL A 43 -5.505 -1.951 -0.382 1.00 1.58 H new ATOM 0 HG23 VAL A 43 -5.340 -2.230 1.368 1.00 1.58 H new ATOM 647 N GLU A 44 -7.690 -0.463 0.803 1.00 0.76 N ATOM 648 CA GLU A 44 -7.765 0.963 0.493 1.00 0.79 C ATOM 649 C GLU A 44 -6.371 1.571 0.614 1.00 0.75 C ATOM 650 O GLU A 44 -5.691 1.334 1.617 1.00 0.73 O ATOM 651 CB GLU A 44 -8.670 1.653 1.522 1.00 0.81 C ATOM 652 CG GLU A 44 -10.139 1.225 1.434 1.00 0.98 C ATOM 653 CD GLU A 44 -10.908 1.627 2.689 1.00 1.10 C ATOM 654 OE1 GLU A 44 -10.652 2.724 3.232 1.00 2.15 O ATOM 655 OE2 GLU A 44 -11.776 0.818 3.103 1.00 1.71 O ATOM 0 H GLU A 44 -7.344 -0.637 1.747 1.00 0.76 H new ATOM 0 HA GLU A 44 -8.158 1.097 -0.515 1.00 0.79 H new ATOM 0 HB2 GLU A 44 -8.297 1.438 2.523 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -8.606 2.732 1.383 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -10.602 1.682 0.559 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -10.198 0.145 1.299 1.00 0.98 H new ATOM 662 N LEU A 45 -5.941 2.362 -0.378 1.00 0.78 N ATOM 663 CA LEU A 45 -4.718 3.130 -0.257 1.00 0.76 C ATOM 664 C LEU A 45 -4.977 4.392 0.563 1.00 0.70 C ATOM 665 O LEU A 45 -5.729 5.294 0.175 1.00 0.77 O ATOM 666 CB LEU A 45 -4.145 3.408 -1.649 1.00 0.85 C ATOM 667 CG LEU A 45 -2.658 3.790 -1.542 1.00 0.88 C ATOM 668 CD1 LEU A 45 -1.882 3.248 -2.729 1.00 0.95 C ATOM 669 CD2 LEU A 45 -2.489 5.299 -1.537 1.00 0.94 C ATOM 0 H LEU A 45 -6.428 2.479 -1.267 1.00 0.78 H new ATOM 0 HA LEU A 45 -3.960 2.563 0.284 1.00 0.76 H new ATOM 0 HB2 LEU A 45 -4.258 2.526 -2.280 1.00 0.85 H new ATOM 0 HB3 LEU A 45 -4.702 4.214 -2.126 1.00 0.85 H new ATOM 0 HG LEU A 45 -2.281 3.364 -0.612 1.00 0.88 H new ATOM 0 HD11 LEU A 45 -0.833 3.528 -2.636 1.00 0.95 H new ATOM 0 HD12 LEU A 45 -1.967 2.162 -2.754 1.00 0.95 H new ATOM 0 HD13 LEU A 45 -2.289 3.665 -3.650 1.00 0.95 H new ATOM 0 HD21 LEU A 45 -1.430 5.546 -1.461 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.893 5.713 -2.461 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.023 5.722 -0.686 1.00 0.94 H new ATOM 681 N HIS A 46 -4.325 4.438 1.714 1.00 0.58 N ATOM 682 CA HIS A 46 -4.338 5.559 2.629 1.00 0.53 C ATOM 683 C HIS A 46 -3.035 6.389 2.547 1.00 0.56 C ATOM 684 O HIS A 46 -1.947 5.889 2.249 1.00 0.64 O ATOM 685 CB HIS A 46 -4.624 5.064 4.064 1.00 0.49 C ATOM 686 CG HIS A 46 -6.024 4.569 4.406 1.00 0.48 C ATOM 687 ND1 HIS A 46 -6.521 4.478 5.709 1.00 0.55 N ATOM 688 CD2 HIS A 46 -7.025 4.183 3.555 1.00 0.54 C ATOM 689 CE1 HIS A 46 -7.770 3.989 5.607 1.00 0.60 C ATOM 690 NE2 HIS A 46 -8.102 3.796 4.322 1.00 0.59 N ATOM 0 H HIS A 46 -3.751 3.663 2.046 1.00 0.58 H new ATOM 0 HA HIS A 46 -5.142 6.233 2.335 1.00 0.53 H new ATOM 0 HB2 HIS A 46 -3.926 4.254 4.279 1.00 0.49 H new ATOM 0 HB3 HIS A 46 -4.386 5.879 4.747 1.00 0.49 H new ATOM 0 HD2 HIS A 46 -6.979 4.182 2.476 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -8.417 3.780 6.446 1.00 0.60 H new ATOM 0 HE2 HIS A 46 -8.989 3.430 3.976 1.00 0.59 H new ATOM 698 N GLU A 47 -3.179 7.677 2.843 1.00 0.53 N ATOM 699 CA GLU A 47 -2.124 8.649 3.125 1.00 0.58 C ATOM 700 C GLU A 47 -1.896 8.752 4.642 1.00 0.55 C ATOM 701 O GLU A 47 -2.741 8.335 5.442 1.00 0.59 O ATOM 702 CB GLU A 47 -2.507 10.032 2.544 1.00 0.71 C ATOM 703 CG GLU A 47 -3.883 10.531 3.031 1.00 0.69 C ATOM 704 CD GLU A 47 -4.190 11.992 2.712 1.00 1.02 C ATOM 705 OE1 GLU A 47 -3.289 12.847 2.827 1.00 1.92 O ATOM 706 OE2 GLU A 47 -5.376 12.324 2.490 1.00 2.35 O ATOM 0 H GLU A 47 -4.105 8.102 2.896 1.00 0.53 H new ATOM 0 HA GLU A 47 -1.199 8.316 2.653 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -1.744 10.760 2.821 1.00 0.71 H new ATOM 0 HB3 GLU A 47 -2.512 9.974 1.456 1.00 0.71 H new ATOM 0 HG2 GLU A 47 -4.658 9.907 2.585 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -3.942 10.390 4.110 1.00 0.69 H new ATOM 713 N THR A 48 -0.775 9.344 5.056 1.00 0.70 N ATOM 714 CA THR A 48 -0.518 9.754 6.439 1.00 0.80 C ATOM 715 C THR A 48 0.309 11.031 6.409 1.00 1.07 C ATOM 716 O THR A 48 1.376 11.068 5.800 1.00 1.19 O ATOM 717 CB THR A 48 0.136 8.632 7.244 1.00 1.10 C ATOM 718 OG1 THR A 48 -0.776 7.565 7.296 1.00 1.35 O ATOM 719 CG2 THR A 48 0.455 9.047 8.681 1.00 1.20 C ATOM 0 H THR A 48 -0.002 9.557 4.425 1.00 0.70 H new ATOM 0 HA THR A 48 -1.456 9.960 6.954 1.00 0.80 H new ATOM 0 HB THR A 48 1.075 8.366 6.758 1.00 1.10 H new ATOM 0 HG1 THR A 48 -1.582 7.798 6.789 1.00 1.35 H new ATOM 0 HG21 THR A 48 0.918 8.212 9.207 1.00 1.20 H new ATOM 0 HG22 THR A 48 1.140 9.894 8.671 1.00 1.20 H new ATOM 0 HG23 THR A 48 -0.466 9.331 9.191 1.00 1.20 H new ATOM 727 N PHE A 49 -0.226 12.093 7.013 1.00 1.39 N ATOM 728 CA PHE A 49 0.053 13.476 6.629 1.00 1.43 C ATOM 729 C PHE A 49 0.311 14.388 7.830 1.00 1.31 C ATOM 730 O PHE A 49 -0.209 14.173 8.917 1.00 1.27 O ATOM 731 CB PHE A 49 -1.145 13.983 5.809 1.00 1.44 C ATOM 732 CG PHE A 49 -2.489 13.954 6.531 1.00 1.28 C ATOM 733 CD1 PHE A 49 -2.808 14.950 7.470 1.00 2.15 C ATOM 734 CD2 PHE A 49 -3.438 12.951 6.254 1.00 1.96 C ATOM 735 CE1 PHE A 49 -4.055 14.970 8.110 1.00 2.12 C ATOM 736 CE2 PHE A 49 -4.694 12.975 6.884 1.00 1.92 C ATOM 737 CZ PHE A 49 -5.003 13.985 7.806 1.00 1.16 C ATOM 0 H PHE A 49 -0.876 12.014 7.795 1.00 1.39 H new ATOM 0 HA PHE A 49 0.970 13.499 6.040 1.00 1.43 H new ATOM 0 HB2 PHE A 49 -0.942 15.007 5.495 1.00 1.44 H new ATOM 0 HB3 PHE A 49 -1.225 13.382 4.903 1.00 1.44 H new ATOM 0 HD1 PHE A 49 -2.080 15.713 7.702 1.00 2.15 H new ATOM 0 HD2 PHE A 49 -3.200 12.162 5.556 1.00 1.96 H new ATOM 0 HE1 PHE A 49 -4.283 15.740 8.832 1.00 2.12 H new ATOM 0 HE2 PHE A 49 -5.424 12.212 6.657 1.00 1.92 H new ATOM 0 HZ PHE A 49 -5.972 14.003 8.282 1.00 1.16 H new ATOM 747 N MET A 50 1.076 15.461 7.621 1.00 1.43 N ATOM 748 CA MET A 50 1.554 16.369 8.686 1.00 1.62 C ATOM 749 C MET A 50 0.900 17.747 8.595 1.00 1.84 C ATOM 750 O MET A 50 1.539 18.798 8.637 1.00 3.15 O ATOM 751 CB MET A 50 3.089 16.401 8.715 1.00 1.92 C ATOM 752 CG MET A 50 3.579 14.963 8.914 1.00 3.32 C ATOM 753 SD MET A 50 3.935 14.068 7.377 1.00 4.34 S ATOM 754 CE MET A 50 3.499 12.399 7.917 1.00 6.12 C ATOM 0 H MET A 50 1.391 15.736 6.691 1.00 1.43 H new ATOM 0 HA MET A 50 1.238 15.977 9.653 1.00 1.62 H new ATOM 0 HB2 MET A 50 3.481 16.814 7.785 1.00 1.92 H new ATOM 0 HB3 MET A 50 3.443 17.041 9.523 1.00 1.92 H new ATOM 0 HG2 MET A 50 4.481 14.982 9.526 1.00 3.32 H new ATOM 0 HG3 MET A 50 2.825 14.410 9.475 1.00 3.32 H new ATOM 0 HE1 MET A 50 3.620 11.704 7.086 1.00 6.12 H new ATOM 0 HE2 MET A 50 4.151 12.100 8.738 1.00 6.12 H new ATOM 0 HE3 MET A 50 2.462 12.385 8.253 1.00 6.12 H new ATOM 764 N ARG A 51 -0.419 17.695 8.450 1.00 1.40 N ATOM 765 CA ARG A 51 -1.292 18.871 8.342 1.00 1.54 C ATOM 766 C ARG A 51 -1.588 19.464 9.731 1.00 1.40 C ATOM 767 O ARG A 51 -1.359 18.827 10.766 1.00 1.40 O ATOM 768 CB ARG A 51 -2.582 18.548 7.556 1.00 1.96 C ATOM 769 CG ARG A 51 -2.299 18.125 6.097 1.00 3.48 C ATOM 770 CD ARG A 51 -3.570 17.729 5.322 1.00 3.83 C ATOM 771 NE ARG A 51 -3.231 17.191 3.982 1.00 5.50 N ATOM 772 CZ ARG A 51 -3.471 15.963 3.519 1.00 6.46 C ATOM 773 NH1 ARG A 51 -4.184 15.074 4.165 1.00 6.17 N ATOM 774 NH2 ARG A 51 -2.956 15.548 2.387 1.00 8.12 N ATOM 0 H ARG A 51 -0.930 16.813 8.402 1.00 1.40 H new ATOM 0 HA ARG A 51 -0.763 19.634 7.771 1.00 1.54 H new ATOM 0 HB2 ARG A 51 -3.122 17.749 8.064 1.00 1.96 H new ATOM 0 HB3 ARG A 51 -3.232 19.423 7.557 1.00 1.96 H new ATOM 0 HG2 ARG A 51 -1.805 18.946 5.577 1.00 3.48 H new ATOM 0 HG3 ARG A 51 -1.605 17.285 6.097 1.00 3.48 H new ATOM 0 HD2 ARG A 51 -4.127 16.982 5.887 1.00 3.83 H new ATOM 0 HD3 ARG A 51 -4.220 18.597 5.215 1.00 3.83 H new ATOM 0 HE ARG A 51 -2.762 17.832 3.342 1.00 5.50 H new ATOM 0 HH11 ARG A 51 -4.589 15.306 5.072 1.00 6.17 H new ATOM 0 HH12 ARG A 51 -4.334 14.150 3.761 1.00 6.17 H new ATOM 0 HH21 ARG A 51 -2.358 16.168 1.841 1.00 8.12 H new ATOM 0 HH22 ARG A 51 -3.153 14.605 2.052 1.00 8.12 H new ATOM 788 N GLU A 52 -2.044 20.708 9.734 1.00 1.43 N ATOM 789 CA GLU A 52 -2.454 21.496 10.886 1.00 1.44 C ATOM 790 C GLU A 52 -3.752 20.958 11.499 1.00 1.60 C ATOM 791 O GLU A 52 -4.587 20.386 10.806 1.00 1.91 O ATOM 792 CB GLU A 52 -2.634 22.964 10.460 1.00 1.72 C ATOM 793 CG GLU A 52 -1.307 23.724 10.297 1.00 2.27 C ATOM 794 CD GLU A 52 -0.527 23.489 8.995 1.00 3.30 C ATOM 795 OE1 GLU A 52 -0.768 22.495 8.265 1.00 4.04 O ATOM 796 OE2 GLU A 52 0.490 24.178 8.790 1.00 4.02 O ATOM 0 H GLU A 52 -2.144 21.232 8.865 1.00 1.43 H new ATOM 0 HA GLU A 52 -1.677 21.426 11.648 1.00 1.44 H new ATOM 0 HB2 GLU A 52 -3.180 22.996 9.517 1.00 1.72 H new ATOM 0 HB3 GLU A 52 -3.248 23.476 11.201 1.00 1.72 H new ATOM 0 HG2 GLU A 52 -1.515 24.791 10.380 1.00 2.27 H new ATOM 0 HG3 GLU A 52 -0.659 23.459 11.133 1.00 2.27 H new ATOM 803 N VAL A 53 -3.908 21.183 12.802 1.00 1.56 N ATOM 804 CA VAL A 53 -5.146 20.937 13.564 1.00 1.78 C ATOM 805 C VAL A 53 -5.471 22.212 14.345 1.00 1.88 C ATOM 806 O VAL A 53 -5.990 23.171 13.781 1.00 2.82 O ATOM 807 CB VAL A 53 -5.065 19.646 14.421 1.00 1.88 C ATOM 808 CG1 VAL A 53 -6.419 19.332 15.083 1.00 2.07 C ATOM 809 CG2 VAL A 53 -4.659 18.419 13.585 1.00 2.97 C ATOM 0 H VAL A 53 -3.155 21.554 13.382 1.00 1.56 H new ATOM 0 HA VAL A 53 -5.980 20.731 12.894 1.00 1.78 H new ATOM 0 HB VAL A 53 -4.305 19.838 15.178 1.00 1.88 H new ATOM 0 HG11 VAL A 53 -6.331 18.422 15.677 1.00 2.07 H new ATOM 0 HG12 VAL A 53 -6.709 20.161 15.729 1.00 2.07 H new ATOM 0 HG13 VAL A 53 -7.177 19.191 14.312 1.00 2.07 H new ATOM 0 HG21 VAL A 53 -4.615 17.539 14.227 1.00 2.97 H new ATOM 0 HG22 VAL A 53 -5.394 18.257 12.797 1.00 2.97 H new ATOM 0 HG23 VAL A 53 -3.680 18.591 13.138 1.00 2.97 H new ATOM 819 N GLU A 54 -5.074 22.267 15.612 1.00 1.84 N ATOM 820 CA GLU A 54 -5.084 23.458 16.477 1.00 1.82 C ATOM 821 C GLU A 54 -3.955 24.447 16.085 1.00 1.78 C ATOM 822 O GLU A 54 -3.170 24.874 16.932 1.00 1.92 O ATOM 823 CB GLU A 54 -4.900 23.022 17.941 1.00 1.89 C ATOM 824 CG GLU A 54 -5.864 21.975 18.509 1.00 3.01 C ATOM 825 CD GLU A 54 -5.124 21.260 19.633 1.00 3.29 C ATOM 826 OE1 GLU A 54 -4.882 21.888 20.684 1.00 2.93 O ATOM 827 OE2 GLU A 54 -4.545 20.181 19.378 1.00 4.53 O ATOM 0 H GLU A 54 -4.717 21.443 16.095 1.00 1.84 H new ATOM 0 HA GLU A 54 -6.040 23.967 16.353 1.00 1.82 H new ATOM 0 HB2 GLU A 54 -3.887 22.635 18.049 1.00 1.89 H new ATOM 0 HB3 GLU A 54 -4.970 23.913 18.565 1.00 1.89 H new ATOM 0 HG2 GLU A 54 -6.772 22.448 18.883 1.00 3.01 H new ATOM 0 HG3 GLU A 54 -6.168 21.269 17.736 1.00 3.01 H new ATOM 834 N GLY A 55 -3.745 24.688 14.785 1.00 1.80 N ATOM 835 CA GLY A 55 -2.574 25.390 14.230 1.00 2.01 C ATOM 836 C GLY A 55 -1.283 24.560 14.266 1.00 2.03 C ATOM 837 O GLY A 55 -0.408 24.723 13.422 1.00 2.58 O ATOM 0 H GLY A 55 -4.404 24.392 14.065 1.00 1.80 H new ATOM 0 HA2 GLY A 55 -2.786 25.672 13.199 1.00 2.01 H new ATOM 0 HA3 GLY A 55 -2.417 26.314 14.787 1.00 2.01 H new ATOM 841 N LYS A 56 -1.166 23.621 15.207 1.00 1.64 N ATOM 842 CA LYS A 56 -0.062 22.682 15.336 1.00 1.80 C ATOM 843 C LYS A 56 -0.146 21.594 14.255 1.00 1.66 C ATOM 844 O LYS A 56 -1.244 21.162 13.891 1.00 1.45 O ATOM 845 CB LYS A 56 -0.072 22.117 16.773 1.00 1.90 C ATOM 846 CG LYS A 56 -1.232 21.144 17.055 1.00 2.89 C ATOM 847 CD LYS A 56 -1.284 20.596 18.489 1.00 3.16 C ATOM 848 CE LYS A 56 -1.600 21.673 19.538 1.00 2.83 C ATOM 849 NZ LYS A 56 -2.329 21.097 20.693 1.00 3.19 N ATOM 0 H LYS A 56 -1.873 23.493 15.931 1.00 1.64 H new ATOM 0 HA LYS A 56 0.893 23.182 15.175 1.00 1.80 H new ATOM 0 HB2 LYS A 56 0.872 21.604 16.957 1.00 1.90 H new ATOM 0 HB3 LYS A 56 -0.127 22.946 17.478 1.00 1.90 H new ATOM 0 HG2 LYS A 56 -2.173 21.652 16.842 1.00 2.89 H new ATOM 0 HG3 LYS A 56 -1.159 20.305 16.363 1.00 2.89 H new ATOM 0 HD2 LYS A 56 -2.039 19.812 18.544 1.00 3.16 H new ATOM 0 HD3 LYS A 56 -0.326 20.134 18.729 1.00 3.16 H new ATOM 0 HE2 LYS A 56 -0.673 22.133 19.882 1.00 2.83 H new ATOM 0 HE3 LYS A 56 -2.198 22.463 19.084 1.00 2.83 H new ATOM 0 HZ1 LYS A 56 -3.114 21.726 20.957 1.00 3.19 H new ATOM 0 HZ2 LYS A 56 -2.706 20.163 20.435 1.00 3.19 H new ATOM 0 HZ3 LYS A 56 -1.679 20.997 21.499 1.00 3.19 H new ATOM 863 N LYS A 57 0.999 21.124 13.756 1.00 1.86 N ATOM 864 CA LYS A 57 1.077 19.996 12.814 1.00 1.73 C ATOM 865 C LYS A 57 0.843 18.665 13.563 1.00 1.46 C ATOM 866 O LYS A 57 1.456 18.460 14.607 1.00 1.64 O ATOM 867 CB LYS A 57 2.456 19.994 12.107 1.00 2.05 C ATOM 868 CG LYS A 57 2.950 21.350 11.559 1.00 2.77 C ATOM 869 CD LYS A 57 2.127 21.924 10.395 1.00 3.85 C ATOM 870 CE LYS A 57 2.759 21.595 9.035 1.00 4.27 C ATOM 871 NZ LYS A 57 1.925 22.104 7.920 1.00 5.15 N ATOM 0 H LYS A 57 1.910 21.517 13.994 1.00 1.86 H new ATOM 0 HA LYS A 57 0.301 20.105 12.057 1.00 1.73 H new ATOM 0 HB2 LYS A 57 3.200 19.619 12.810 1.00 2.05 H new ATOM 0 HB3 LYS A 57 2.414 19.286 11.279 1.00 2.05 H new ATOM 0 HG2 LYS A 57 2.952 22.074 12.374 1.00 2.77 H new ATOM 0 HG3 LYS A 57 3.983 21.237 11.231 1.00 2.77 H new ATOM 0 HD2 LYS A 57 1.115 21.522 10.432 1.00 3.85 H new ATOM 0 HD3 LYS A 57 2.045 23.005 10.506 1.00 3.85 H new ATOM 0 HE2 LYS A 57 3.755 22.034 8.978 1.00 4.27 H new ATOM 0 HE3 LYS A 57 2.881 20.516 8.939 1.00 4.27 H new ATOM 0 HZ1 LYS A 57 2.431 21.974 7.021 1.00 5.15 H new ATOM 0 HZ2 LYS A 57 1.027 21.580 7.891 1.00 5.15 H new ATOM 0 HZ3 LYS A 57 1.731 23.115 8.065 1.00 5.15 H new ATOM 885 N VAL A 58 -0.003 17.769 13.049 1.00 1.23 N ATOM 886 CA VAL A 58 -0.294 16.447 13.655 1.00 1.13 C ATOM 887 C VAL A 58 -0.305 15.366 12.567 1.00 1.11 C ATOM 888 O VAL A 58 -0.632 15.670 11.419 1.00 1.22 O ATOM 889 CB VAL A 58 -1.641 16.456 14.425 1.00 1.19 C ATOM 890 CG1 VAL A 58 -1.889 15.145 15.192 1.00 1.77 C ATOM 891 CG2 VAL A 58 -1.729 17.619 15.432 1.00 1.51 C ATOM 0 H VAL A 58 -0.519 17.935 12.185 1.00 1.23 H new ATOM 0 HA VAL A 58 0.493 16.224 14.375 1.00 1.13 H new ATOM 0 HB VAL A 58 -2.404 16.577 13.656 1.00 1.19 H new ATOM 0 HG11 VAL A 58 -2.844 15.204 15.713 1.00 1.77 H new ATOM 0 HG12 VAL A 58 -1.909 14.311 14.490 1.00 1.77 H new ATOM 0 HG13 VAL A 58 -1.089 14.990 15.916 1.00 1.77 H new ATOM 0 HG21 VAL A 58 -2.689 17.583 15.946 1.00 1.51 H new ATOM 0 HG22 VAL A 58 -0.924 17.531 16.161 1.00 1.51 H new ATOM 0 HG23 VAL A 58 -1.636 18.567 14.902 1.00 1.51 H new ATOM 901 N MET A 59 0.064 14.121 12.910 1.00 1.21 N ATOM 902 CA MET A 59 0.017 12.972 11.986 1.00 1.30 C ATOM 903 C MET A 59 -1.375 12.325 11.903 1.00 1.12 C ATOM 904 O MET A 59 -1.699 11.444 12.698 1.00 1.66 O ATOM 905 CB MET A 59 1.098 11.935 12.294 1.00 1.52 C ATOM 906 CG MET A 59 2.411 12.372 11.629 1.00 2.09 C ATOM 907 SD MET A 59 3.786 11.208 11.780 1.00 3.34 S ATOM 908 CE MET A 59 3.825 11.183 13.581 1.00 3.86 C ATOM 0 H MET A 59 0.405 13.880 13.841 1.00 1.21 H new ATOM 0 HA MET A 59 0.230 13.381 10.998 1.00 1.30 H new ATOM 0 HB2 MET A 59 1.234 11.841 13.371 1.00 1.52 H new ATOM 0 HB3 MET A 59 0.796 10.955 11.924 1.00 1.52 H new ATOM 0 HG2 MET A 59 2.221 12.547 10.570 1.00 2.09 H new ATOM 0 HG3 MET A 59 2.716 13.326 12.060 1.00 2.09 H new ATOM 0 HE1 MET A 59 4.796 10.822 13.919 1.00 3.86 H new ATOM 0 HE2 MET A 59 3.659 12.190 13.963 1.00 3.86 H new ATOM 0 HE3 MET A 59 3.043 10.521 13.953 1.00 3.86 H new ATOM 918 N GLY A 60 -2.177 12.751 10.922 1.00 0.94 N ATOM 919 CA GLY A 60 -3.475 12.141 10.585 1.00 1.02 C ATOM 920 C GLY A 60 -3.369 11.155 9.418 1.00 0.90 C ATOM 921 O GLY A 60 -2.379 11.169 8.693 1.00 1.16 O ATOM 0 H GLY A 60 -1.941 13.545 10.326 1.00 0.94 H new ATOM 0 HA2 GLY A 60 -3.869 11.624 11.460 1.00 1.02 H new ATOM 0 HA3 GLY A 60 -4.188 12.926 10.331 1.00 1.02 H new ATOM 925 N MET A 61 -4.405 10.331 9.218 1.00 0.87 N ATOM 926 CA MET A 61 -4.502 9.307 8.156 1.00 0.73 C ATOM 927 C MET A 61 -5.817 9.445 7.373 1.00 0.71 C ATOM 928 O MET A 61 -6.724 10.151 7.818 1.00 1.06 O ATOM 929 CB MET A 61 -4.405 7.884 8.739 1.00 0.91 C ATOM 930 CG MET A 61 -3.219 7.674 9.685 1.00 1.35 C ATOM 931 SD MET A 61 -3.514 8.184 11.397 1.00 2.25 S ATOM 932 CE MET A 61 -1.828 7.990 12.008 1.00 2.59 C ATOM 0 H MET A 61 -5.234 10.356 9.812 1.00 0.87 H new ATOM 0 HA MET A 61 -3.663 9.470 7.479 1.00 0.73 H new ATOM 0 HB2 MET A 61 -5.327 7.659 9.275 1.00 0.91 H new ATOM 0 HB3 MET A 61 -4.331 7.171 7.918 1.00 0.91 H new ATOM 0 HG2 MET A 61 -2.948 6.618 9.677 1.00 1.35 H new ATOM 0 HG3 MET A 61 -2.362 8.226 9.299 1.00 1.35 H new ATOM 0 HE1 MET A 61 -1.790 8.258 13.064 1.00 2.59 H new ATOM 0 HE2 MET A 61 -1.514 6.953 11.886 1.00 2.59 H new ATOM 0 HE3 MET A 61 -1.160 8.641 11.444 1.00 2.59 H new ATOM 942 N ARG A 62 -5.939 8.794 6.210 1.00 0.53 N ATOM 943 CA ARG A 62 -7.104 8.918 5.307 1.00 0.55 C ATOM 944 C ARG A 62 -6.949 8.020 4.075 1.00 0.48 C ATOM 945 O ARG A 62 -5.839 8.005 3.554 1.00 0.49 O ATOM 946 CB ARG A 62 -7.204 10.375 4.798 1.00 0.84 C ATOM 947 CG ARG A 62 -8.524 11.086 5.132 1.00 1.36 C ATOM 948 CD ARG A 62 -8.498 12.563 4.689 1.00 1.60 C ATOM 949 NE ARG A 62 -7.999 12.713 3.310 1.00 2.45 N ATOM 950 CZ ARG A 62 -8.567 12.248 2.210 1.00 3.16 C ATOM 951 NH1 ARG A 62 -9.847 11.941 2.138 1.00 3.44 N ATOM 952 NH2 ARG A 62 -7.789 12.048 1.176 1.00 4.45 N ATOM 0 H ARG A 62 -5.225 8.156 5.859 1.00 0.53 H new ATOM 0 HA ARG A 62 -7.991 8.625 5.869 1.00 0.55 H new ATOM 0 HB2 ARG A 62 -6.381 10.950 5.222 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -7.070 10.377 3.716 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -9.350 10.572 4.640 1.00 1.36 H new ATOM 0 HG3 ARG A 62 -8.707 11.030 6.205 1.00 1.36 H new ATOM 0 HD2 ARG A 62 -9.502 12.981 4.760 1.00 1.60 H new ATOM 0 HD3 ARG A 62 -7.866 13.135 5.368 1.00 1.60 H new ATOM 0 HE ARG A 62 -7.127 13.228 3.192 1.00 2.45 H new ATOM 0 HH11 ARG A 62 -10.446 12.059 2.955 1.00 3.44 H new ATOM 0 HH12 ARG A 62 -10.238 11.585 1.266 1.00 3.44 H new ATOM 0 HH21 ARG A 62 -6.791 12.250 1.242 1.00 4.45 H new ATOM 0 HH22 ARG A 62 -8.181 11.690 0.305 1.00 4.45 H new ATOM 966 N PRO A 63 -8.001 7.406 3.500 1.00 0.51 N ATOM 967 CA PRO A 63 -7.952 6.917 2.124 1.00 0.54 C ATOM 968 C PRO A 63 -7.869 8.070 1.118 1.00 0.58 C ATOM 969 O PRO A 63 -8.508 9.108 1.291 1.00 0.56 O ATOM 970 CB PRO A 63 -9.200 6.065 1.903 1.00 0.60 C ATOM 971 CG PRO A 63 -10.163 6.578 2.962 1.00 0.71 C ATOM 972 CD PRO A 63 -9.297 7.133 4.095 1.00 0.55 C ATOM 0 HA PRO A 63 -7.054 6.320 1.966 1.00 0.54 H new ATOM 0 HB2 PRO A 63 -9.602 6.192 0.898 1.00 0.60 H new ATOM 0 HB3 PRO A 63 -8.990 5.003 2.030 1.00 0.60 H new ATOM 0 HG2 PRO A 63 -10.813 7.352 2.554 1.00 0.71 H new ATOM 0 HG3 PRO A 63 -10.808 5.777 3.322 1.00 0.71 H new ATOM 0 HD2 PRO A 63 -9.734 8.039 4.514 1.00 0.55 H new ATOM 0 HD3 PRO A 63 -9.210 6.414 4.910 1.00 0.55 H new ATOM 980 N VAL A 64 -7.103 7.850 0.048 1.00 0.69 N ATOM 981 CA VAL A 64 -7.048 8.709 -1.149 1.00 0.67 C ATOM 982 C VAL A 64 -7.679 7.987 -2.350 1.00 0.65 C ATOM 983 O VAL A 64 -7.720 6.757 -2.356 1.00 0.63 O ATOM 984 CB VAL A 64 -5.599 9.128 -1.512 1.00 0.68 C ATOM 985 CG1 VAL A 64 -5.160 10.299 -0.625 1.00 0.74 C ATOM 986 CG2 VAL A 64 -4.578 7.985 -1.420 1.00 0.69 C ATOM 0 H VAL A 64 -6.481 7.044 -0.017 1.00 0.69 H new ATOM 0 HA VAL A 64 -7.610 9.613 -0.914 1.00 0.67 H new ATOM 0 HB VAL A 64 -5.620 9.429 -2.559 1.00 0.68 H new ATOM 0 HG11 VAL A 64 -4.142 10.590 -0.884 1.00 0.74 H new ATOM 0 HG12 VAL A 64 -5.830 11.145 -0.781 1.00 0.74 H new ATOM 0 HG13 VAL A 64 -5.196 9.996 0.421 1.00 0.74 H new ATOM 0 HG21 VAL A 64 -3.590 8.358 -1.689 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -4.556 7.598 -0.401 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -4.863 7.186 -2.105 1.00 0.69 H new ATOM 996 N PRO A 65 -8.145 8.722 -3.380 1.00 0.66 N ATOM 997 CA PRO A 65 -8.674 8.123 -4.603 1.00 0.68 C ATOM 998 C PRO A 65 -7.589 7.470 -5.472 1.00 0.65 C ATOM 999 O PRO A 65 -7.947 6.691 -6.349 1.00 0.67 O ATOM 1000 CB PRO A 65 -9.373 9.269 -5.342 1.00 0.74 C ATOM 1001 CG PRO A 65 -8.587 10.501 -4.903 1.00 0.74 C ATOM 1002 CD PRO A 65 -8.244 10.177 -3.451 1.00 0.70 C ATOM 0 HA PRO A 65 -9.357 7.306 -4.368 1.00 0.68 H new ATOM 0 HB2 PRO A 65 -9.336 9.132 -6.423 1.00 0.74 H new ATOM 0 HB3 PRO A 65 -10.425 9.343 -5.066 1.00 0.74 H new ATOM 0 HG2 PRO A 65 -7.692 10.648 -5.508 1.00 0.74 H new ATOM 0 HG3 PRO A 65 -9.181 11.411 -4.986 1.00 0.74 H new ATOM 0 HD2 PRO A 65 -7.306 10.647 -3.157 1.00 0.70 H new ATOM 0 HD3 PRO A 65 -9.013 10.550 -2.775 1.00 0.70 H new ATOM 1010 N PHE A 66 -6.296 7.765 -5.243 1.00 0.63 N ATOM 1011 CA PHE A 66 -5.149 7.189 -5.950 1.00 0.62 C ATOM 1012 C PHE A 66 -3.811 7.660 -5.355 1.00 0.65 C ATOM 1013 O PHE A 66 -3.723 8.720 -4.734 1.00 0.73 O ATOM 1014 CB PHE A 66 -5.198 7.491 -7.466 1.00 0.71 C ATOM 1015 CG PHE A 66 -5.199 8.960 -7.849 1.00 0.84 C ATOM 1016 CD1 PHE A 66 -3.985 9.644 -8.058 1.00 2.60 C ATOM 1017 CD2 PHE A 66 -6.418 9.643 -8.024 1.00 1.52 C ATOM 1018 CE1 PHE A 66 -3.990 11.003 -8.418 1.00 2.72 C ATOM 1019 CE2 PHE A 66 -6.423 11.004 -8.375 1.00 1.53 C ATOM 1020 CZ PHE A 66 -5.209 11.687 -8.566 1.00 1.14 C ATOM 0 H PHE A 66 -6.016 8.439 -4.530 1.00 0.63 H new ATOM 0 HA PHE A 66 -5.216 6.109 -5.816 1.00 0.62 H new ATOM 0 HB2 PHE A 66 -4.341 7.012 -7.940 1.00 0.71 H new ATOM 0 HB3 PHE A 66 -6.093 7.027 -7.881 1.00 0.71 H new ATOM 0 HD1 PHE A 66 -3.047 9.122 -7.941 1.00 2.60 H new ATOM 0 HD2 PHE A 66 -7.353 9.119 -7.888 1.00 1.52 H new ATOM 0 HE1 PHE A 66 -3.057 11.522 -8.581 1.00 2.72 H new ATOM 0 HE2 PHE A 66 -7.361 11.526 -8.498 1.00 1.53 H new ATOM 0 HZ PHE A 66 -5.213 12.735 -8.826 1.00 1.14 H new ATOM 1030 N LEU A 67 -2.756 6.897 -5.646 1.00 0.67 N ATOM 1031 CA LEU A 67 -1.388 7.390 -5.814 1.00 0.67 C ATOM 1032 C LEU A 67 -1.004 7.294 -7.299 1.00 0.65 C ATOM 1033 O LEU A 67 -1.738 6.721 -8.107 1.00 0.61 O ATOM 1034 CB LEU A 67 -0.413 6.561 -4.947 1.00 0.71 C ATOM 1035 CG LEU A 67 -0.012 7.202 -3.605 1.00 0.75 C ATOM 1036 CD1 LEU A 67 1.034 6.283 -2.955 1.00 1.17 C ATOM 1037 CD2 LEU A 67 0.624 8.593 -3.754 1.00 0.93 C ATOM 0 H LEU A 67 -2.832 5.888 -5.775 1.00 0.67 H new ATOM 0 HA LEU A 67 -1.328 8.429 -5.491 1.00 0.67 H new ATOM 0 HB2 LEU A 67 -0.868 5.591 -4.745 1.00 0.71 H new ATOM 0 HB3 LEU A 67 0.492 6.374 -5.526 1.00 0.71 H new ATOM 0 HG LEU A 67 -0.919 7.321 -3.012 1.00 0.75 H new ATOM 0 HD11 LEU A 67 1.344 6.704 -1.999 1.00 1.17 H new ATOM 0 HD12 LEU A 67 0.601 5.296 -2.793 1.00 1.17 H new ATOM 0 HD13 LEU A 67 1.900 6.196 -3.611 1.00 1.17 H new ATOM 0 HD21 LEU A 67 0.881 8.983 -2.769 1.00 0.93 H new ATOM 0 HD22 LEU A 67 1.526 8.517 -4.361 1.00 0.93 H new ATOM 0 HD23 LEU A 67 -0.083 9.267 -4.238 1.00 0.93 H new ATOM 1049 N GLU A 68 0.174 7.790 -7.673 1.00 0.72 N ATOM 1050 CA GLU A 68 0.720 7.569 -9.012 1.00 0.82 C ATOM 1051 C GLU A 68 2.240 7.690 -9.059 1.00 0.90 C ATOM 1052 O GLU A 68 2.861 8.154 -8.105 1.00 0.92 O ATOM 1053 CB GLU A 68 0.006 8.433 -10.063 1.00 0.94 C ATOM 1054 CG GLU A 68 0.354 9.915 -10.166 1.00 1.06 C ATOM 1055 CD GLU A 68 -0.628 10.580 -11.144 1.00 1.24 C ATOM 1056 OE1 GLU A 68 -1.245 9.879 -11.982 1.00 2.33 O ATOM 1057 OE2 GLU A 68 -0.883 11.793 -11.019 1.00 1.61 O ATOM 0 H GLU A 68 0.771 8.350 -7.065 1.00 0.72 H new ATOM 0 HA GLU A 68 0.513 6.532 -9.274 1.00 0.82 H new ATOM 0 HB2 GLU A 68 0.191 7.983 -11.039 1.00 0.94 H new ATOM 0 HB3 GLU A 68 -1.065 8.359 -9.876 1.00 0.94 H new ATOM 0 HG2 GLU A 68 0.291 10.388 -9.186 1.00 1.06 H new ATOM 0 HG3 GLU A 68 1.379 10.040 -10.515 1.00 1.06 H new ATOM 1064 N VAL A 69 2.823 7.239 -10.170 1.00 0.97 N ATOM 1065 CA VAL A 69 4.269 7.217 -10.410 1.00 0.94 C ATOM 1066 C VAL A 69 4.566 7.649 -11.854 1.00 0.92 C ATOM 1067 O VAL A 69 3.927 7.129 -12.777 1.00 0.95 O ATOM 1068 CB VAL A 69 4.885 5.811 -10.171 1.00 1.00 C ATOM 1069 CG1 VAL A 69 6.399 5.900 -9.911 1.00 0.94 C ATOM 1070 CG2 VAL A 69 4.250 5.040 -9.004 1.00 1.09 C ATOM 0 H VAL A 69 2.286 6.867 -10.953 1.00 0.97 H new ATOM 0 HA VAL A 69 4.721 7.911 -9.701 1.00 0.94 H new ATOM 0 HB VAL A 69 4.678 5.264 -11.091 1.00 1.00 H new ATOM 0 HG11 VAL A 69 6.800 4.900 -9.748 1.00 0.94 H new ATOM 0 HG12 VAL A 69 6.890 6.351 -10.773 1.00 0.94 H new ATOM 0 HG13 VAL A 69 6.581 6.512 -9.028 1.00 0.94 H new ATOM 0 HG21 VAL A 69 4.735 4.069 -8.903 1.00 1.09 H new ATOM 0 HG22 VAL A 69 4.376 5.607 -8.082 1.00 1.09 H new ATOM 0 HG23 VAL A 69 3.187 4.896 -9.199 1.00 1.09 H new ATOM 1080 N PRO A 70 5.531 8.562 -12.079 1.00 0.90 N ATOM 1081 CA PRO A 70 6.005 8.893 -13.414 1.00 0.95 C ATOM 1082 C PRO A 70 6.896 7.769 -13.973 1.00 0.91 C ATOM 1083 O PRO A 70 7.402 6.947 -13.205 1.00 0.87 O ATOM 1084 CB PRO A 70 6.783 10.201 -13.251 1.00 0.97 C ATOM 1085 CG PRO A 70 7.356 10.082 -11.839 1.00 0.91 C ATOM 1086 CD PRO A 70 6.253 9.346 -11.082 1.00 0.88 C ATOM 0 HA PRO A 70 5.186 9.004 -14.125 1.00 0.95 H new ATOM 0 HB2 PRO A 70 7.569 10.300 -13.999 1.00 0.97 H new ATOM 0 HB3 PRO A 70 6.135 11.072 -13.352 1.00 0.97 H new ATOM 0 HG2 PRO A 70 8.293 9.525 -11.829 1.00 0.91 H new ATOM 0 HG3 PRO A 70 7.562 11.060 -11.403 1.00 0.91 H new ATOM 0 HD2 PRO A 70 6.673 8.702 -10.310 1.00 0.88 H new ATOM 0 HD3 PRO A 70 5.587 10.050 -10.583 1.00 0.88 H new ATOM 1094 N PRO A 71 7.119 7.736 -15.300 1.00 0.99 N ATOM 1095 CA PRO A 71 8.005 6.768 -15.930 1.00 0.98 C ATOM 1096 C PRO A 71 9.443 6.921 -15.436 1.00 0.87 C ATOM 1097 O PRO A 71 9.921 8.035 -15.217 1.00 0.90 O ATOM 1098 CB PRO A 71 7.865 6.976 -17.436 1.00 1.15 C ATOM 1099 CG PRO A 71 7.239 8.359 -17.602 1.00 1.25 C ATOM 1100 CD PRO A 71 6.528 8.629 -16.282 1.00 1.13 C ATOM 0 HA PRO A 71 7.732 5.746 -15.669 1.00 0.98 H new ATOM 0 HB2 PRO A 71 8.835 6.922 -17.931 1.00 1.15 H new ATOM 0 HB3 PRO A 71 7.237 6.205 -17.882 1.00 1.15 H new ATOM 0 HG2 PRO A 71 7.998 9.115 -17.803 1.00 1.25 H new ATOM 0 HG3 PRO A 71 6.540 8.378 -18.438 1.00 1.25 H new ATOM 0 HD2 PRO A 71 6.651 9.670 -15.982 1.00 1.13 H new ATOM 0 HD3 PRO A 71 5.457 8.448 -16.375 1.00 1.13 H new ATOM 1108 N LYS A 72 10.111 5.778 -15.235 1.00 0.84 N ATOM 1109 CA LYS A 72 11.494 5.617 -14.739 1.00 0.84 C ATOM 1110 C LYS A 72 11.672 5.934 -13.242 1.00 0.89 C ATOM 1111 O LYS A 72 12.765 5.765 -12.696 1.00 0.97 O ATOM 1112 CB LYS A 72 12.494 6.417 -15.593 1.00 0.84 C ATOM 1113 CG LYS A 72 12.251 6.352 -17.106 1.00 0.96 C ATOM 1114 CD LYS A 72 12.219 4.933 -17.691 1.00 0.91 C ATOM 1115 CE LYS A 72 11.856 5.022 -19.174 1.00 1.12 C ATOM 1116 NZ LYS A 72 11.557 3.699 -19.765 1.00 1.48 N ATOM 0 H LYS A 72 9.674 4.876 -15.426 1.00 0.84 H new ATOM 0 HA LYS A 72 11.711 4.554 -14.843 1.00 0.84 H new ATOM 0 HB2 LYS A 72 12.463 7.461 -15.280 1.00 0.84 H new ATOM 0 HB3 LYS A 72 13.500 6.052 -15.386 1.00 0.84 H new ATOM 0 HG2 LYS A 72 11.304 6.844 -17.329 1.00 0.96 H new ATOM 0 HG3 LYS A 72 13.032 6.921 -17.610 1.00 0.96 H new ATOM 0 HD2 LYS A 72 13.189 4.452 -17.568 1.00 0.91 H new ATOM 0 HD3 LYS A 72 11.490 4.322 -17.160 1.00 0.91 H new ATOM 0 HE2 LYS A 72 10.991 5.674 -19.294 1.00 1.12 H new ATOM 0 HE3 LYS A 72 12.680 5.482 -19.719 1.00 1.12 H new ATOM 0 HZ1 LYS A 72 12.290 3.456 -20.461 1.00 1.48 H new ATOM 0 HZ2 LYS A 72 11.540 2.979 -19.014 1.00 1.48 H new ATOM 0 HZ3 LYS A 72 10.630 3.730 -20.235 1.00 1.48 H new ATOM 1130 N GLY A 73 10.614 6.391 -12.570 1.00 0.89 N ATOM 1131 CA GLY A 73 10.577 6.698 -11.150 1.00 0.99 C ATOM 1132 C GLY A 73 10.019 5.544 -10.323 1.00 0.77 C ATOM 1133 O GLY A 73 9.559 4.524 -10.830 1.00 1.09 O ATOM 0 H GLY A 73 9.719 6.563 -13.029 1.00 0.89 H new ATOM 0 HA2 GLY A 73 11.583 6.936 -10.806 1.00 0.99 H new ATOM 0 HA3 GLY A 73 9.967 7.586 -10.988 1.00 0.99 H new ATOM 1137 N ARG A 74 10.030 5.786 -9.017 1.00 1.02 N ATOM 1138 CA ARG A 74 9.479 4.910 -7.975 1.00 1.14 C ATOM 1139 C ARG A 74 8.853 5.691 -6.825 1.00 1.23 C ATOM 1140 O ARG A 74 9.312 6.783 -6.495 1.00 1.37 O ATOM 1141 CB ARG A 74 10.524 3.896 -7.457 1.00 1.39 C ATOM 1142 CG ARG A 74 11.677 4.384 -6.566 1.00 1.64 C ATOM 1143 CD ARG A 74 12.217 3.239 -5.685 1.00 1.68 C ATOM 1144 NE ARG A 74 12.805 2.106 -6.417 1.00 2.05 N ATOM 1145 CZ ARG A 74 13.348 1.022 -5.873 1.00 2.57 C ATOM 1146 NH1 ARG A 74 13.589 0.894 -4.582 1.00 2.99 N ATOM 1147 NH2 ARG A 74 13.620 -0.001 -6.644 1.00 3.81 N ATOM 0 H ARG A 74 10.441 6.636 -8.632 1.00 1.02 H new ATOM 0 HA ARG A 74 8.678 4.344 -8.450 1.00 1.14 H new ATOM 0 HB2 ARG A 74 9.986 3.127 -6.902 1.00 1.39 H new ATOM 0 HB3 ARG A 74 10.967 3.411 -8.327 1.00 1.39 H new ATOM 0 HG2 ARG A 74 12.480 4.779 -7.188 1.00 1.64 H new ATOM 0 HG3 ARG A 74 11.332 5.202 -5.934 1.00 1.64 H new ATOM 0 HD2 ARG A 74 12.971 3.646 -5.011 1.00 1.68 H new ATOM 0 HD3 ARG A 74 11.403 2.866 -5.064 1.00 1.68 H new ATOM 0 HE ARG A 74 12.795 2.157 -7.436 1.00 2.05 H new ATOM 0 HH11 ARG A 74 13.356 1.653 -3.942 1.00 2.99 H new ATOM 0 HH12 ARG A 74 14.008 0.036 -4.224 1.00 2.99 H new ATOM 0 HH21 ARG A 74 13.415 0.044 -7.642 1.00 3.81 H new ATOM 0 HH22 ARG A 74 14.037 -0.843 -6.246 1.00 3.81 H new ATOM 1161 N VAL A 75 7.857 5.078 -6.189 1.00 1.21 N ATOM 1162 CA VAL A 75 7.309 5.460 -4.878 1.00 1.21 C ATOM 1163 C VAL A 75 7.639 4.355 -3.879 1.00 0.86 C ATOM 1164 O VAL A 75 7.745 3.191 -4.264 1.00 0.99 O ATOM 1165 CB VAL A 75 5.778 5.698 -4.899 1.00 1.60 C ATOM 1166 CG1 VAL A 75 5.454 6.978 -5.683 1.00 2.10 C ATOM 1167 CG2 VAL A 75 4.998 4.502 -5.475 1.00 1.67 C ATOM 0 H VAL A 75 7.385 4.265 -6.586 1.00 1.21 H new ATOM 0 HA VAL A 75 7.765 6.408 -4.593 1.00 1.21 H new ATOM 0 HB VAL A 75 5.457 5.813 -3.864 1.00 1.60 H new ATOM 0 HG11 VAL A 75 4.376 7.136 -5.692 1.00 2.10 H new ATOM 0 HG12 VAL A 75 5.942 7.829 -5.208 1.00 2.10 H new ATOM 0 HG13 VAL A 75 5.814 6.879 -6.707 1.00 2.10 H new ATOM 0 HG21 VAL A 75 3.931 4.725 -5.465 1.00 1.67 H new ATOM 0 HG22 VAL A 75 5.321 4.317 -6.500 1.00 1.67 H new ATOM 0 HG23 VAL A 75 5.189 3.617 -4.869 1.00 1.67 H new ATOM 1177 N GLU A 76 7.808 4.714 -2.608 1.00 0.90 N ATOM 1178 CA GLU A 76 8.148 3.765 -1.548 1.00 1.01 C ATOM 1179 C GLU A 76 7.247 4.097 -0.355 1.00 1.27 C ATOM 1180 O GLU A 76 7.342 5.183 0.228 1.00 1.46 O ATOM 1181 CB GLU A 76 9.674 3.763 -1.263 1.00 1.47 C ATOM 1182 CG GLU A 76 10.474 3.619 -2.574 1.00 2.57 C ATOM 1183 CD GLU A 76 11.948 3.223 -2.454 1.00 3.24 C ATOM 1184 OE1 GLU A 76 12.224 1.998 -2.449 1.00 3.93 O ATOM 1185 OE2 GLU A 76 12.823 4.098 -2.672 1.00 4.29 O ATOM 0 H GLU A 76 7.713 5.676 -2.282 1.00 0.90 H new ATOM 0 HA GLU A 76 7.954 2.731 -1.833 1.00 1.01 H new ATOM 0 HB2 GLU A 76 9.956 4.687 -0.759 1.00 1.47 H new ATOM 0 HB3 GLU A 76 9.922 2.944 -0.588 1.00 1.47 H new ATOM 0 HG2 GLU A 76 9.974 2.876 -3.195 1.00 2.57 H new ATOM 0 HG3 GLU A 76 10.421 4.568 -3.108 1.00 2.57 H new ATOM 1192 N LEU A 77 6.288 3.200 -0.084 1.00 1.29 N ATOM 1193 CA LEU A 77 5.128 3.454 0.778 1.00 1.24 C ATOM 1194 C LEU A 77 5.504 3.342 2.263 1.00 1.27 C ATOM 1195 O LEU A 77 5.229 2.360 2.948 1.00 1.44 O ATOM 1196 CB LEU A 77 3.935 2.557 0.367 1.00 1.20 C ATOM 1197 CG LEU A 77 3.117 3.095 -0.830 1.00 1.21 C ATOM 1198 CD1 LEU A 77 3.773 2.841 -2.196 1.00 1.19 C ATOM 1199 CD2 LEU A 77 1.706 2.488 -0.826 1.00 1.23 C ATOM 0 H LEU A 77 6.299 2.255 -0.468 1.00 1.29 H new ATOM 0 HA LEU A 77 4.798 4.483 0.636 1.00 1.24 H new ATOM 0 HB2 LEU A 77 4.311 1.564 0.119 1.00 1.20 H new ATOM 0 HB3 LEU A 77 3.271 2.441 1.223 1.00 1.20 H new ATOM 0 HG LEU A 77 3.073 4.176 -0.696 1.00 1.21 H new ATOM 0 HD11 LEU A 77 3.140 3.247 -2.985 1.00 1.19 H new ATOM 0 HD12 LEU A 77 4.748 3.327 -2.227 1.00 1.19 H new ATOM 0 HD13 LEU A 77 3.897 1.769 -2.346 1.00 1.19 H new ATOM 0 HD21 LEU A 77 1.141 2.875 -1.674 1.00 1.23 H new ATOM 0 HD22 LEU A 77 1.776 1.403 -0.902 1.00 1.23 H new ATOM 0 HD23 LEU A 77 1.198 2.755 0.101 1.00 1.23 H new ATOM 1211 N LYS A 78 6.151 4.388 2.774 1.00 1.45 N ATOM 1212 CA LYS A 78 6.498 4.519 4.188 1.00 1.39 C ATOM 1213 C LYS A 78 5.214 4.683 5.035 1.00 1.07 C ATOM 1214 O LYS A 78 4.377 5.491 4.638 1.00 1.07 O ATOM 1215 CB LYS A 78 7.492 5.695 4.376 1.00 1.56 C ATOM 1216 CG LYS A 78 7.263 6.885 3.410 1.00 1.35 C ATOM 1217 CD LYS A 78 7.890 8.217 3.840 1.00 1.96 C ATOM 1218 CE LYS A 78 7.226 8.713 5.130 1.00 3.73 C ATOM 1219 NZ LYS A 78 7.093 10.188 5.203 1.00 5.07 N ATOM 0 H LYS A 78 6.454 5.181 2.208 1.00 1.45 H new ATOM 0 HA LYS A 78 6.996 3.614 4.537 1.00 1.39 H new ATOM 0 HB2 LYS A 78 7.419 6.056 5.402 1.00 1.56 H new ATOM 0 HB3 LYS A 78 8.507 5.322 4.240 1.00 1.56 H new ATOM 0 HG2 LYS A 78 7.660 6.617 2.431 1.00 1.35 H new ATOM 0 HG3 LYS A 78 6.190 7.031 3.290 1.00 1.35 H new ATOM 0 HD2 LYS A 78 8.961 8.091 3.997 1.00 1.96 H new ATOM 0 HD3 LYS A 78 7.769 8.958 3.050 1.00 1.96 H new ATOM 0 HE2 LYS A 78 6.237 8.263 5.215 1.00 3.73 H new ATOM 0 HE3 LYS A 78 7.808 8.367 5.984 1.00 3.73 H new ATOM 0 HZ1 LYS A 78 6.274 10.434 5.795 1.00 5.07 H new ATOM 0 HZ2 LYS A 78 7.955 10.594 5.619 1.00 5.07 H new ATOM 0 HZ3 LYS A 78 6.956 10.572 4.246 1.00 5.07 H new ATOM 1233 N PRO A 79 5.085 4.043 6.220 1.00 0.91 N ATOM 1234 CA PRO A 79 3.868 4.066 7.045 1.00 0.74 C ATOM 1235 C PRO A 79 3.365 5.484 7.352 1.00 0.75 C ATOM 1236 O PRO A 79 2.229 5.806 7.002 1.00 0.86 O ATOM 1237 CB PRO A 79 4.200 3.274 8.320 1.00 0.79 C ATOM 1238 CG PRO A 79 5.723 3.169 8.333 1.00 0.97 C ATOM 1239 CD PRO A 79 6.085 3.196 6.852 1.00 1.02 C ATOM 0 HA PRO A 79 3.039 3.611 6.503 1.00 0.74 H new ATOM 0 HB2 PRO A 79 3.832 3.785 9.210 1.00 0.79 H new ATOM 0 HB3 PRO A 79 3.736 2.288 8.304 1.00 0.79 H new ATOM 0 HG2 PRO A 79 6.179 3.998 8.875 1.00 0.97 H new ATOM 0 HG3 PRO A 79 6.060 2.250 8.813 1.00 0.97 H new ATOM 0 HD2 PRO A 79 7.088 3.595 6.701 1.00 1.02 H new ATOM 0 HD3 PRO A 79 6.073 2.192 6.427 1.00 1.02 H new ATOM 1247 N GLY A 80 4.221 6.351 7.914 1.00 1.02 N ATOM 1248 CA GLY A 80 3.947 7.781 8.122 1.00 1.23 C ATOM 1249 C GLY A 80 4.133 8.585 6.836 1.00 1.29 C ATOM 1250 O GLY A 80 4.928 9.527 6.800 1.00 1.89 O ATOM 0 H GLY A 80 5.144 6.071 8.244 1.00 1.02 H new ATOM 0 HA2 GLY A 80 2.927 7.907 8.486 1.00 1.23 H new ATOM 0 HA3 GLY A 80 4.611 8.170 8.894 1.00 1.23 H new ATOM 1254 N GLY A 81 3.483 8.129 5.765 1.00 0.91 N ATOM 1255 CA GLY A 81 3.589 8.572 4.373 1.00 0.93 C ATOM 1256 C GLY A 81 2.361 8.165 3.570 1.00 0.83 C ATOM 1257 O GLY A 81 1.439 8.949 3.377 1.00 0.92 O ATOM 0 H GLY A 81 2.807 7.371 5.858 1.00 0.91 H new ATOM 0 HA2 GLY A 81 3.705 9.655 4.341 1.00 0.93 H new ATOM 0 HA3 GLY A 81 4.482 8.143 3.919 1.00 0.93 H new ATOM 1261 N TYR A 82 2.375 6.918 3.104 1.00 0.77 N ATOM 1262 CA TYR A 82 1.337 6.251 2.313 1.00 0.73 C ATOM 1263 C TYR A 82 1.390 4.747 2.614 1.00 0.77 C ATOM 1264 O TYR A 82 2.471 4.198 2.812 1.00 0.84 O ATOM 1265 CB TYR A 82 1.554 6.510 0.815 1.00 0.77 C ATOM 1266 CG TYR A 82 1.583 7.978 0.433 1.00 0.76 C ATOM 1267 CD1 TYR A 82 0.384 8.692 0.243 1.00 1.85 C ATOM 1268 CD2 TYR A 82 2.821 8.643 0.319 1.00 2.22 C ATOM 1269 CE1 TYR A 82 0.419 10.071 -0.039 1.00 1.88 C ATOM 1270 CE2 TYR A 82 2.865 10.021 0.042 1.00 2.22 C ATOM 1271 CZ TYR A 82 1.660 10.741 -0.135 1.00 0.82 C ATOM 1272 OH TYR A 82 1.697 12.075 -0.399 1.00 0.87 O ATOM 0 H TYR A 82 3.168 6.301 3.281 1.00 0.77 H new ATOM 0 HA TYR A 82 0.357 6.646 2.579 1.00 0.73 H new ATOM 0 HB2 TYR A 82 2.494 6.049 0.511 1.00 0.77 H new ATOM 0 HB3 TYR A 82 0.760 6.016 0.254 1.00 0.77 H new ATOM 0 HD1 TYR A 82 -0.565 8.181 0.314 1.00 1.85 H new ATOM 0 HD2 TYR A 82 3.741 8.091 0.445 1.00 2.22 H new ATOM 0 HE1 TYR A 82 -0.502 10.617 -0.182 1.00 1.88 H new ATOM 0 HE2 TYR A 82 3.815 10.528 -0.035 1.00 2.22 H new ATOM 0 HH TYR A 82 2.629 12.377 -0.430 1.00 0.87 H new ATOM 1282 N HIS A 83 0.251 4.068 2.666 1.00 0.76 N ATOM 1283 CA HIS A 83 0.161 2.654 3.041 1.00 0.79 C ATOM 1284 C HIS A 83 -1.165 2.047 2.552 1.00 0.74 C ATOM 1285 O HIS A 83 -2.073 2.783 2.167 1.00 0.72 O ATOM 1286 CB HIS A 83 0.363 2.494 4.564 1.00 0.81 C ATOM 1287 CG HIS A 83 -0.727 3.091 5.426 1.00 0.67 C ATOM 1288 ND1 HIS A 83 -0.727 4.331 6.039 1.00 0.85 N ATOM 1289 CD2 HIS A 83 -1.886 2.466 5.800 1.00 0.57 C ATOM 1290 CE1 HIS A 83 -1.865 4.446 6.738 1.00 0.83 C ATOM 1291 NE2 HIS A 83 -2.604 3.329 6.632 1.00 0.68 N ATOM 0 H HIS A 83 -0.653 4.487 2.446 1.00 0.76 H new ATOM 0 HA HIS A 83 0.959 2.098 2.550 1.00 0.79 H new ATOM 0 HB2 HIS A 83 0.444 1.432 4.794 1.00 0.81 H new ATOM 0 HB3 HIS A 83 1.313 2.953 4.838 1.00 0.81 H new ATOM 0 HD2 HIS A 83 -2.193 1.474 5.503 1.00 0.57 H new ATOM 0 HE1 HIS A 83 -2.149 5.318 7.309 1.00 0.83 H new ATOM 0 HE2 HIS A 83 -3.507 3.148 7.070 1.00 0.68 H new ATOM 1299 N PHE A 84 -1.288 0.715 2.581 1.00 0.78 N ATOM 1300 CA PHE A 84 -2.529 0.010 2.262 1.00 0.74 C ATOM 1301 C PHE A 84 -3.168 -0.556 3.533 1.00 0.65 C ATOM 1302 O PHE A 84 -2.568 -1.384 4.223 1.00 0.72 O ATOM 1303 CB PHE A 84 -2.228 -1.134 1.287 1.00 0.89 C ATOM 1304 CG PHE A 84 -2.172 -0.789 -0.190 1.00 0.76 C ATOM 1305 CD1 PHE A 84 -3.284 -0.194 -0.817 1.00 1.78 C ATOM 1306 CD2 PHE A 84 -1.062 -1.169 -0.970 1.00 2.11 C ATOM 1307 CE1 PHE A 84 -3.308 -0.032 -2.210 1.00 1.87 C ATOM 1308 CE2 PHE A 84 -1.068 -0.960 -2.361 1.00 1.97 C ATOM 1309 CZ PHE A 84 -2.193 -0.393 -2.982 1.00 0.59 C ATOM 0 H PHE A 84 -0.519 0.092 2.829 1.00 0.78 H new ATOM 0 HA PHE A 84 -3.225 0.713 1.805 1.00 0.74 H new ATOM 0 HB2 PHE A 84 -1.271 -1.574 1.568 1.00 0.89 H new ATOM 0 HB3 PHE A 84 -2.986 -1.905 1.426 1.00 0.89 H new ATOM 0 HD1 PHE A 84 -4.122 0.139 -0.223 1.00 1.78 H new ATOM 0 HD2 PHE A 84 -0.203 -1.623 -0.498 1.00 2.11 H new ATOM 0 HE1 PHE A 84 -4.187 0.372 -2.690 1.00 1.87 H new ATOM 0 HE2 PHE A 84 -0.207 -1.236 -2.952 1.00 1.97 H new ATOM 0 HZ PHE A 84 -2.200 -0.235 -4.050 1.00 0.59 H new ATOM 1319 N MET A 85 -4.416 -0.165 3.801 1.00 0.55 N ATOM 1320 CA MET A 85 -5.257 -0.729 4.867 1.00 0.51 C ATOM 1321 C MET A 85 -5.990 -1.974 4.369 1.00 0.49 C ATOM 1322 O MET A 85 -6.792 -1.872 3.442 1.00 0.55 O ATOM 1323 CB MET A 85 -6.265 0.325 5.364 1.00 0.56 C ATOM 1324 CG MET A 85 -5.758 1.079 6.596 1.00 0.72 C ATOM 1325 SD MET A 85 -5.682 0.080 8.112 1.00 0.94 S ATOM 1326 CE MET A 85 -3.889 -0.121 8.263 1.00 0.70 C ATOM 0 H MET A 85 -4.884 0.570 3.271 1.00 0.55 H new ATOM 0 HA MET A 85 -4.615 -1.018 5.699 1.00 0.51 H new ATOM 0 HB2 MET A 85 -6.468 1.036 4.563 1.00 0.56 H new ATOM 0 HB3 MET A 85 -7.210 -0.163 5.603 1.00 0.56 H new ATOM 0 HG2 MET A 85 -4.763 1.470 6.383 1.00 0.72 H new ATOM 0 HG3 MET A 85 -6.406 1.937 6.773 1.00 0.72 H new ATOM 0 HE1 MET A 85 -3.663 -1.137 8.586 1.00 0.70 H new ATOM 0 HE2 MET A 85 -3.419 0.065 7.297 1.00 0.70 H new ATOM 0 HE3 MET A 85 -3.504 0.587 8.996 1.00 0.70 H new ATOM 1336 N LEU A 86 -5.722 -3.136 4.976 1.00 0.51 N ATOM 1337 CA LEU A 86 -6.331 -4.427 4.628 1.00 0.53 C ATOM 1338 C LEU A 86 -7.561 -4.685 5.502 1.00 0.56 C ATOM 1339 O LEU A 86 -7.475 -4.515 6.716 1.00 0.69 O ATOM 1340 CB LEU A 86 -5.321 -5.573 4.858 1.00 0.53 C ATOM 1341 CG LEU A 86 -3.946 -5.432 4.178 1.00 0.86 C ATOM 1342 CD1 LEU A 86 -3.110 -6.681 4.477 1.00 1.94 C ATOM 1343 CD2 LEU A 86 -4.062 -5.236 2.664 1.00 1.07 C ATOM 0 H LEU A 86 -5.056 -3.207 5.745 1.00 0.51 H new ATOM 0 HA LEU A 86 -6.622 -4.392 3.578 1.00 0.53 H new ATOM 0 HB2 LEU A 86 -5.161 -5.675 5.931 1.00 0.53 H new ATOM 0 HB3 LEU A 86 -5.777 -6.502 4.514 1.00 0.53 H new ATOM 0 HG LEU A 86 -3.463 -4.542 4.581 1.00 0.86 H new ATOM 0 HD11 LEU A 86 -2.135 -6.589 3.999 1.00 1.94 H new ATOM 0 HD12 LEU A 86 -2.978 -6.781 5.554 1.00 1.94 H new ATOM 0 HD13 LEU A 86 -3.622 -7.562 4.091 1.00 1.94 H new ATOM 0 HD21 LEU A 86 -3.066 -5.142 2.232 1.00 1.07 H new ATOM 0 HD22 LEU A 86 -4.569 -6.095 2.224 1.00 1.07 H new ATOM 0 HD23 LEU A 86 -4.634 -4.332 2.457 1.00 1.07 H new ATOM 1355 N LEU A 87 -8.670 -5.164 4.922 1.00 0.82 N ATOM 1356 CA LEU A 87 -9.918 -5.413 5.657 1.00 0.95 C ATOM 1357 C LEU A 87 -10.619 -6.699 5.196 1.00 1.08 C ATOM 1358 O LEU A 87 -10.800 -6.925 3.999 1.00 1.29 O ATOM 1359 CB LEU A 87 -10.823 -4.168 5.511 1.00 0.97 C ATOM 1360 CG LEU A 87 -10.818 -3.285 6.775 1.00 1.02 C ATOM 1361 CD1 LEU A 87 -11.200 -1.839 6.440 1.00 1.60 C ATOM 1362 CD2 LEU A 87 -11.813 -3.845 7.803 1.00 2.65 C ATOM 0 H LEU A 87 -8.727 -5.390 3.929 1.00 0.82 H new ATOM 0 HA LEU A 87 -9.691 -5.575 6.711 1.00 0.95 H new ATOM 0 HB2 LEU A 87 -10.489 -3.578 4.658 1.00 0.97 H new ATOM 0 HB3 LEU A 87 -11.843 -4.487 5.298 1.00 0.97 H new ATOM 0 HG LEU A 87 -9.810 -3.292 7.189 1.00 1.02 H new ATOM 0 HD11 LEU A 87 -11.188 -1.239 7.350 1.00 1.60 H new ATOM 0 HD12 LEU A 87 -10.485 -1.430 5.727 1.00 1.60 H new ATOM 0 HD13 LEU A 87 -12.199 -1.818 6.005 1.00 1.60 H new ATOM 0 HD21 LEU A 87 -11.806 -3.218 8.695 1.00 2.65 H new ATOM 0 HD22 LEU A 87 -12.814 -3.853 7.373 1.00 2.65 H new ATOM 0 HD23 LEU A 87 -11.525 -4.861 8.072 1.00 2.65 H new ATOM 1374 N GLY A 88 -11.041 -7.530 6.156 1.00 1.10 N ATOM 1375 CA GLY A 88 -11.726 -8.812 5.931 1.00 1.21 C ATOM 1376 C GLY A 88 -10.752 -9.987 5.834 1.00 1.08 C ATOM 1377 O GLY A 88 -10.756 -10.693 4.827 1.00 1.66 O ATOM 0 H GLY A 88 -10.911 -7.323 7.146 1.00 1.10 H new ATOM 0 HA2 GLY A 88 -12.428 -8.993 6.745 1.00 1.21 H new ATOM 0 HA3 GLY A 88 -12.310 -8.752 5.013 1.00 1.21 H new ATOM 1381 N LEU A 89 -9.884 -10.155 6.841 1.00 0.75 N ATOM 1382 CA LEU A 89 -8.748 -11.083 6.774 1.00 0.70 C ATOM 1383 C LEU A 89 -9.183 -12.552 6.633 1.00 0.74 C ATOM 1384 O LEU A 89 -9.763 -13.128 7.549 1.00 0.91 O ATOM 1385 CB LEU A 89 -7.811 -10.897 7.983 1.00 0.88 C ATOM 1386 CG LEU A 89 -7.253 -9.478 8.212 1.00 0.74 C ATOM 1387 CD1 LEU A 89 -6.248 -9.537 9.367 1.00 0.99 C ATOM 1388 CD2 LEU A 89 -6.586 -8.869 6.968 1.00 0.79 C ATOM 0 H LEU A 89 -9.950 -9.651 7.725 1.00 0.75 H new ATOM 0 HA LEU A 89 -8.197 -10.835 5.867 1.00 0.70 H new ATOM 0 HB2 LEU A 89 -8.349 -11.200 8.881 1.00 0.88 H new ATOM 0 HB3 LEU A 89 -6.969 -11.580 7.870 1.00 0.88 H new ATOM 0 HG LEU A 89 -8.095 -8.827 8.448 1.00 0.74 H new ATOM 0 HD11 LEU A 89 -5.841 -8.542 9.546 1.00 0.99 H new ATOM 0 HD12 LEU A 89 -6.749 -9.891 10.268 1.00 0.99 H new ATOM 0 HD13 LEU A 89 -5.438 -10.220 9.110 1.00 0.99 H new ATOM 0 HD21 LEU A 89 -6.218 -7.871 7.205 1.00 0.79 H new ATOM 0 HD22 LEU A 89 -5.753 -9.499 6.657 1.00 0.79 H new ATOM 0 HD23 LEU A 89 -7.314 -8.805 6.159 1.00 0.79 H new ATOM 1400 N LYS A 90 -8.860 -13.194 5.503 1.00 0.79 N ATOM 1401 CA LYS A 90 -9.272 -14.589 5.253 1.00 0.85 C ATOM 1402 C LYS A 90 -8.300 -15.642 5.810 1.00 0.90 C ATOM 1403 O LYS A 90 -8.647 -16.820 5.863 1.00 1.01 O ATOM 1404 CB LYS A 90 -9.477 -14.864 3.758 1.00 1.04 C ATOM 1405 CG LYS A 90 -10.375 -13.866 3.014 1.00 0.92 C ATOM 1406 CD LYS A 90 -10.902 -14.518 1.720 1.00 1.53 C ATOM 1407 CE LYS A 90 -11.314 -13.528 0.625 1.00 1.65 C ATOM 1408 NZ LYS A 90 -12.216 -12.468 1.116 1.00 1.40 N ATOM 0 H LYS A 90 -8.317 -12.775 4.748 1.00 0.79 H new ATOM 0 HA LYS A 90 -10.215 -14.687 5.790 1.00 0.85 H new ATOM 0 HB2 LYS A 90 -8.501 -14.878 3.273 1.00 1.04 H new ATOM 0 HB3 LYS A 90 -9.903 -15.861 3.646 1.00 1.04 H new ATOM 0 HG2 LYS A 90 -11.209 -13.566 3.649 1.00 0.92 H new ATOM 0 HG3 LYS A 90 -9.814 -12.962 2.777 1.00 0.92 H new ATOM 0 HD2 LYS A 90 -10.131 -15.178 1.322 1.00 1.53 H new ATOM 0 HD3 LYS A 90 -11.760 -15.143 1.968 1.00 1.53 H new ATOM 0 HE2 LYS A 90 -10.420 -13.070 0.202 1.00 1.65 H new ATOM 0 HE3 LYS A 90 -11.806 -14.071 -0.182 1.00 1.65 H new ATOM 0 HZ1 LYS A 90 -12.748 -12.068 0.317 1.00 1.40 H new ATOM 0 HZ2 LYS A 90 -12.880 -12.870 1.808 1.00 1.40 H new ATOM 0 HZ3 LYS A 90 -11.656 -11.718 1.569 1.00 1.40 H new ATOM 1422 N ARG A 91 -7.082 -15.246 6.205 1.00 0.98 N ATOM 1423 CA ARG A 91 -6.073 -16.126 6.810 1.00 1.14 C ATOM 1424 C ARG A 91 -5.233 -15.345 7.842 1.00 1.13 C ATOM 1425 O ARG A 91 -4.952 -14.168 7.605 1.00 1.07 O ATOM 1426 CB ARG A 91 -5.197 -16.811 5.730 1.00 1.44 C ATOM 1427 CG ARG A 91 -4.366 -15.852 4.853 1.00 1.78 C ATOM 1428 CD ARG A 91 -3.336 -16.551 3.947 1.00 2.12 C ATOM 1429 NE ARG A 91 -3.901 -16.991 2.651 1.00 2.93 N ATOM 1430 CZ ARG A 91 -3.344 -16.798 1.453 1.00 4.34 C ATOM 1431 NH1 ARG A 91 -2.135 -16.309 1.293 1.00 5.17 N ATOM 1432 NH2 ARG A 91 -4.019 -17.060 0.356 1.00 5.55 N ATOM 0 H ARG A 91 -6.764 -14.282 6.110 1.00 0.98 H new ATOM 0 HA ARG A 91 -6.584 -16.928 7.342 1.00 1.14 H new ATOM 0 HB2 ARG A 91 -4.518 -17.507 6.223 1.00 1.44 H new ATOM 0 HB3 ARG A 91 -5.844 -17.402 5.082 1.00 1.44 H new ATOM 0 HG2 ARG A 91 -5.044 -15.269 4.229 1.00 1.78 H new ATOM 0 HG3 ARG A 91 -3.844 -15.148 5.500 1.00 1.78 H new ATOM 0 HD2 ARG A 91 -2.505 -15.871 3.761 1.00 2.12 H new ATOM 0 HD3 ARG A 91 -2.929 -17.416 4.471 1.00 2.12 H new ATOM 0 HE ARG A 91 -4.793 -17.484 2.676 1.00 2.93 H new ATOM 0 HH11 ARG A 91 -1.575 -16.057 2.107 1.00 5.17 H new ATOM 0 HH12 ARG A 91 -1.757 -16.181 0.354 1.00 5.17 H new ATOM 0 HH21 ARG A 91 -4.974 -17.413 0.417 1.00 5.55 H new ATOM 0 HH22 ARG A 91 -3.588 -16.910 -0.556 1.00 5.55 H new ATOM 1446 N PRO A 92 -4.836 -15.969 8.971 1.00 1.29 N ATOM 1447 CA PRO A 92 -3.896 -15.382 9.915 1.00 1.31 C ATOM 1448 C PRO A 92 -2.481 -15.468 9.337 1.00 1.33 C ATOM 1449 O PRO A 92 -2.084 -16.505 8.803 1.00 1.55 O ATOM 1450 CB PRO A 92 -4.047 -16.192 11.203 1.00 1.50 C ATOM 1451 CG PRO A 92 -4.442 -17.581 10.697 1.00 1.60 C ATOM 1452 CD PRO A 92 -5.260 -17.285 9.438 1.00 1.50 C ATOM 0 HA PRO A 92 -4.088 -14.327 10.111 1.00 1.31 H new ATOM 0 HB2 PRO A 92 -3.118 -16.220 11.773 1.00 1.50 H new ATOM 0 HB3 PRO A 92 -4.810 -15.770 11.857 1.00 1.50 H new ATOM 0 HG2 PRO A 92 -3.566 -18.190 10.472 1.00 1.60 H new ATOM 0 HG3 PRO A 92 -5.028 -18.126 11.437 1.00 1.60 H new ATOM 0 HD2 PRO A 92 -5.085 -18.043 8.674 1.00 1.50 H new ATOM 0 HD3 PRO A 92 -6.328 -17.294 9.658 1.00 1.50 H new ATOM 1460 N LEU A 93 -1.729 -14.372 9.427 1.00 1.30 N ATOM 1461 CA LEU A 93 -0.430 -14.220 8.770 1.00 1.36 C ATOM 1462 C LEU A 93 0.709 -14.713 9.666 1.00 1.40 C ATOM 1463 O LEU A 93 1.292 -13.965 10.438 1.00 1.68 O ATOM 1464 CB LEU A 93 -0.287 -12.750 8.308 1.00 1.34 C ATOM 1465 CG LEU A 93 -0.590 -12.565 6.809 1.00 1.82 C ATOM 1466 CD1 LEU A 93 -1.983 -13.068 6.412 1.00 2.08 C ATOM 1467 CD2 LEU A 93 -0.450 -11.087 6.438 1.00 2.25 C ATOM 0 H LEU A 93 -2.008 -13.552 9.966 1.00 1.30 H new ATOM 0 HA LEU A 93 -0.368 -14.851 7.884 1.00 1.36 H new ATOM 0 HB2 LEU A 93 -0.962 -12.123 8.891 1.00 1.34 H new ATOM 0 HB3 LEU A 93 0.726 -12.406 8.515 1.00 1.34 H new ATOM 0 HG LEU A 93 0.133 -13.168 6.259 1.00 1.82 H new ATOM 0 HD11 LEU A 93 -2.136 -12.910 5.344 1.00 2.08 H new ATOM 0 HD12 LEU A 93 -2.063 -14.132 6.637 1.00 2.08 H new ATOM 0 HD13 LEU A 93 -2.741 -12.521 6.972 1.00 2.08 H new ATOM 0 HD21 LEU A 93 -0.664 -10.956 5.377 1.00 2.25 H new ATOM 0 HD22 LEU A 93 -1.153 -10.496 7.026 1.00 2.25 H new ATOM 0 HD23 LEU A 93 0.567 -10.754 6.646 1.00 2.25 H new ATOM 1479 N LYS A 94 1.056 -15.995 9.559 1.00 1.57 N ATOM 1480 CA LYS A 94 2.270 -16.510 10.195 1.00 1.62 C ATOM 1481 C LYS A 94 3.550 -15.802 9.725 1.00 1.50 C ATOM 1482 O LYS A 94 3.698 -15.436 8.560 1.00 1.70 O ATOM 1483 CB LYS A 94 2.409 -17.997 9.894 1.00 1.86 C ATOM 1484 CG LYS A 94 1.559 -18.886 10.794 1.00 2.29 C ATOM 1485 CD LYS A 94 2.119 -20.307 10.752 1.00 3.06 C ATOM 1486 CE LYS A 94 1.981 -21.003 9.382 1.00 3.40 C ATOM 1487 NZ LYS A 94 3.159 -20.823 8.494 1.00 3.88 N ATOM 0 H LYS A 94 0.519 -16.692 9.043 1.00 1.57 H new ATOM 0 HA LYS A 94 2.162 -16.324 11.263 1.00 1.62 H new ATOM 0 HB2 LYS A 94 2.132 -18.176 8.855 1.00 1.86 H new ATOM 0 HB3 LYS A 94 3.455 -18.284 9.999 1.00 1.86 H new ATOM 0 HG2 LYS A 94 1.568 -18.507 11.816 1.00 2.29 H new ATOM 0 HG3 LYS A 94 0.521 -18.879 10.460 1.00 2.29 H new ATOM 0 HD2 LYS A 94 3.173 -20.278 11.027 1.00 3.06 H new ATOM 0 HD3 LYS A 94 1.610 -20.908 11.505 1.00 3.06 H new ATOM 0 HE2 LYS A 94 1.818 -22.069 9.542 1.00 3.40 H new ATOM 0 HE3 LYS A 94 1.095 -20.617 8.877 1.00 3.40 H new ATOM 0 HZ1 LYS A 94 2.871 -20.957 7.504 1.00 3.88 H new ATOM 0 HZ2 LYS A 94 3.542 -19.864 8.616 1.00 3.88 H new ATOM 0 HZ3 LYS A 94 3.889 -21.522 8.740 1.00 3.88 H new ATOM 1501 N ALA A 95 4.532 -15.696 10.618 1.00 1.67 N ATOM 1502 CA ALA A 95 5.872 -15.293 10.200 1.00 1.62 C ATOM 1503 C ALA A 95 6.483 -16.389 9.311 1.00 1.57 C ATOM 1504 O ALA A 95 6.716 -17.505 9.779 1.00 1.73 O ATOM 1505 CB ALA A 95 6.717 -14.974 11.441 1.00 1.77 C ATOM 0 H ALA A 95 4.429 -15.879 11.616 1.00 1.67 H new ATOM 0 HA ALA A 95 5.837 -14.384 9.599 1.00 1.62 H new ATOM 0 HB1 ALA A 95 7.718 -14.673 11.132 1.00 1.77 H new ATOM 0 HB2 ALA A 95 6.250 -14.163 12.000 1.00 1.77 H new ATOM 0 HB3 ALA A 95 6.783 -15.859 12.073 1.00 1.77 H new ATOM 1511 N GLY A 96 6.711 -16.042 8.038 1.00 1.51 N ATOM 1512 CA GLY A 96 7.283 -16.926 7.020 1.00 1.56 C ATOM 1513 C GLY A 96 6.492 -17.082 5.716 1.00 1.41 C ATOM 1514 O GLY A 96 7.063 -17.652 4.791 1.00 1.93 O ATOM 0 H GLY A 96 6.496 -15.112 7.680 1.00 1.51 H new ATOM 0 HA2 GLY A 96 8.279 -16.558 6.771 1.00 1.56 H new ATOM 0 HA3 GLY A 96 7.409 -17.915 7.461 1.00 1.56 H new ATOM 1518 N GLU A 97 5.246 -16.597 5.590 1.00 1.21 N ATOM 1519 CA GLU A 97 4.477 -16.811 4.346 1.00 1.19 C ATOM 1520 C GLU A 97 4.765 -15.746 3.274 1.00 1.06 C ATOM 1521 O GLU A 97 5.381 -14.712 3.543 1.00 1.04 O ATOM 1522 CB GLU A 97 2.943 -16.898 4.533 1.00 1.35 C ATOM 1523 CG GLU A 97 2.375 -17.285 5.891 1.00 1.60 C ATOM 1524 CD GLU A 97 2.871 -18.625 6.412 1.00 2.57 C ATOM 1525 OE1 GLU A 97 3.880 -18.656 7.147 1.00 3.90 O ATOM 1526 OE2 GLU A 97 2.168 -19.647 6.254 1.00 3.18 O ATOM 0 H GLU A 97 4.757 -16.067 6.311 1.00 1.21 H new ATOM 0 HA GLU A 97 4.831 -17.787 4.014 1.00 1.19 H new ATOM 0 HB2 GLU A 97 2.526 -15.926 4.269 1.00 1.35 H new ATOM 0 HB3 GLU A 97 2.565 -17.615 3.804 1.00 1.35 H new ATOM 0 HG2 GLU A 97 2.629 -16.510 6.614 1.00 1.60 H new ATOM 0 HG3 GLU A 97 1.287 -17.313 5.823 1.00 1.60 H new ATOM 1533 N GLU A 98 4.206 -15.967 2.082 1.00 1.11 N ATOM 1534 CA GLU A 98 3.967 -14.947 1.059 1.00 1.05 C ATOM 1535 C GLU A 98 2.494 -14.500 1.092 1.00 1.01 C ATOM 1536 O GLU A 98 1.621 -15.198 1.612 1.00 1.37 O ATOM 1537 CB GLU A 98 4.290 -15.483 -0.348 1.00 1.42 C ATOM 1538 CG GLU A 98 5.775 -15.800 -0.564 1.00 1.84 C ATOM 1539 CD GLU A 98 6.054 -16.171 -2.024 1.00 2.79 C ATOM 1540 OE1 GLU A 98 5.558 -17.232 -2.460 1.00 3.86 O ATOM 1541 OE2 GLU A 98 6.763 -15.389 -2.692 1.00 3.51 O ATOM 0 H GLU A 98 3.896 -16.895 1.792 1.00 1.11 H new ATOM 0 HA GLU A 98 4.621 -14.102 1.276 1.00 1.05 H new ATOM 0 HB2 GLU A 98 3.706 -16.386 -0.526 1.00 1.42 H new ATOM 0 HB3 GLU A 98 3.974 -14.748 -1.088 1.00 1.42 H new ATOM 0 HG2 GLU A 98 6.379 -14.937 -0.283 1.00 1.84 H new ATOM 0 HG3 GLU A 98 6.073 -16.622 0.087 1.00 1.84 H new ATOM 1548 N VAL A 99 2.219 -13.344 0.491 1.00 0.89 N ATOM 1549 CA VAL A 99 0.884 -12.784 0.262 1.00 0.91 C ATOM 1550 C VAL A 99 0.769 -12.419 -1.212 1.00 1.01 C ATOM 1551 O VAL A 99 1.617 -11.703 -1.742 1.00 1.05 O ATOM 1552 CB VAL A 99 0.647 -11.537 1.141 1.00 0.87 C ATOM 1553 CG1 VAL A 99 -0.665 -10.809 0.780 1.00 1.01 C ATOM 1554 CG2 VAL A 99 0.638 -11.942 2.625 1.00 0.89 C ATOM 0 H VAL A 99 2.958 -12.740 0.131 1.00 0.89 H new ATOM 0 HA VAL A 99 0.128 -13.522 0.531 1.00 0.91 H new ATOM 0 HB VAL A 99 1.464 -10.840 0.953 1.00 0.87 H new ATOM 0 HG11 VAL A 99 -0.788 -9.939 1.425 1.00 1.01 H new ATOM 0 HG12 VAL A 99 -0.628 -10.487 -0.261 1.00 1.01 H new ATOM 0 HG13 VAL A 99 -1.507 -11.486 0.920 1.00 1.01 H new ATOM 0 HG21 VAL A 99 0.471 -11.059 3.242 1.00 0.89 H new ATOM 0 HG22 VAL A 99 -0.160 -12.664 2.800 1.00 0.89 H new ATOM 0 HG23 VAL A 99 1.597 -12.390 2.886 1.00 0.89 H new ATOM 1564 N GLU A 100 -0.291 -12.903 -1.854 1.00 1.18 N ATOM 1565 CA GLU A 100 -0.653 -12.608 -3.239 1.00 1.26 C ATOM 1566 C GLU A 100 -1.381 -11.254 -3.304 1.00 1.05 C ATOM 1567 O GLU A 100 -2.271 -11.008 -2.481 1.00 1.12 O ATOM 1568 CB GLU A 100 -1.574 -13.714 -3.812 1.00 1.61 C ATOM 1569 CG GLU A 100 -1.322 -15.173 -3.372 1.00 2.55 C ATOM 1570 CD GLU A 100 -2.110 -15.575 -2.114 1.00 4.67 C ATOM 1571 OE1 GLU A 100 -1.984 -14.901 -1.069 1.00 5.96 O ATOM 1572 OE2 GLU A 100 -2.879 -16.558 -2.136 1.00 5.73 O ATOM 0 H GLU A 100 -0.950 -13.539 -1.405 1.00 1.18 H new ATOM 0 HA GLU A 100 0.259 -12.568 -3.835 1.00 1.26 H new ATOM 0 HB2 GLU A 100 -2.601 -13.460 -3.551 1.00 1.61 H new ATOM 0 HB3 GLU A 100 -1.503 -13.677 -4.899 1.00 1.61 H new ATOM 0 HG2 GLU A 100 -1.590 -15.843 -4.189 1.00 2.55 H new ATOM 0 HG3 GLU A 100 -0.257 -15.309 -3.184 1.00 2.55 H new ATOM 1579 N LEU A 101 -1.076 -10.381 -4.280 1.00 1.01 N ATOM 1580 CA LEU A 101 -1.746 -9.076 -4.414 1.00 0.92 C ATOM 1581 C LEU A 101 -1.749 -8.507 -5.848 1.00 0.91 C ATOM 1582 O LEU A 101 -0.728 -8.407 -6.526 1.00 0.99 O ATOM 1583 CB LEU A 101 -1.165 -8.119 -3.351 1.00 0.98 C ATOM 1584 CG LEU A 101 -1.927 -6.835 -3.010 1.00 1.17 C ATOM 1585 CD1 LEU A 101 -1.377 -6.248 -1.698 1.00 1.46 C ATOM 1586 CD2 LEU A 101 -1.809 -5.801 -4.134 1.00 1.63 C ATOM 0 H LEU A 101 -0.366 -10.557 -4.991 1.00 1.01 H new ATOM 0 HA LEU A 101 -2.811 -9.208 -4.221 1.00 0.92 H new ATOM 0 HB2 LEU A 101 -1.047 -8.686 -2.428 1.00 0.98 H new ATOM 0 HB3 LEU A 101 -0.166 -7.831 -3.679 1.00 0.98 H new ATOM 0 HG LEU A 101 -2.982 -7.082 -2.892 1.00 1.17 H new ATOM 0 HD11 LEU A 101 -1.918 -5.334 -1.453 1.00 1.46 H new ATOM 0 HD12 LEU A 101 -1.505 -6.972 -0.893 1.00 1.46 H new ATOM 0 HD13 LEU A 101 -0.317 -6.022 -1.817 1.00 1.46 H new ATOM 0 HD21 LEU A 101 -2.361 -4.902 -3.860 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -0.760 -5.550 -4.289 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -2.222 -6.215 -5.054 1.00 1.63 H new ATOM 1598 N ASP A 102 -2.944 -8.108 -6.276 1.00 0.87 N ATOM 1599 CA ASP A 102 -3.302 -7.418 -7.516 1.00 0.89 C ATOM 1600 C ASP A 102 -3.218 -5.889 -7.341 1.00 0.74 C ATOM 1601 O ASP A 102 -4.141 -5.275 -6.801 1.00 0.78 O ATOM 1602 CB ASP A 102 -4.756 -7.806 -7.845 1.00 1.12 C ATOM 1603 CG ASP A 102 -4.935 -9.216 -8.416 1.00 1.51 C ATOM 1604 OD1 ASP A 102 -4.158 -9.605 -9.316 1.00 1.61 O ATOM 1605 OD2 ASP A 102 -5.884 -9.898 -7.959 1.00 2.76 O ATOM 0 H ASP A 102 -3.772 -8.277 -5.705 1.00 0.87 H new ATOM 0 HA ASP A 102 -2.615 -7.704 -8.312 1.00 0.89 H new ATOM 0 HB2 ASP A 102 -5.354 -7.719 -6.938 1.00 1.12 H new ATOM 0 HB3 ASP A 102 -5.155 -7.087 -8.560 1.00 1.12 H new ATOM 1610 N LEU A 103 -2.133 -5.246 -7.789 1.00 0.69 N ATOM 1611 CA LEU A 103 -2.003 -3.780 -7.729 1.00 0.62 C ATOM 1612 C LEU A 103 -2.852 -3.154 -8.839 1.00 0.59 C ATOM 1613 O LEU A 103 -2.594 -3.389 -10.019 1.00 0.62 O ATOM 1614 CB LEU A 103 -0.525 -3.364 -7.863 1.00 0.69 C ATOM 1615 CG LEU A 103 0.382 -3.802 -6.697 1.00 0.86 C ATOM 1616 CD1 LEU A 103 1.849 -3.593 -7.096 1.00 1.14 C ATOM 1617 CD2 LEU A 103 0.077 -3.005 -5.417 1.00 1.10 C ATOM 0 H LEU A 103 -1.327 -5.718 -8.199 1.00 0.69 H new ATOM 0 HA LEU A 103 -2.361 -3.422 -6.764 1.00 0.62 H new ATOM 0 HB2 LEU A 103 -0.128 -3.781 -8.789 1.00 0.69 H new ATOM 0 HB3 LEU A 103 -0.475 -2.279 -7.955 1.00 0.69 H new ATOM 0 HG LEU A 103 0.192 -4.855 -6.490 1.00 0.86 H new ATOM 0 HD11 LEU A 103 2.497 -3.901 -6.275 1.00 1.14 H new ATOM 0 HD12 LEU A 103 2.074 -4.190 -7.980 1.00 1.14 H new ATOM 0 HD13 LEU A 103 2.019 -2.539 -7.317 1.00 1.14 H new ATOM 0 HD21 LEU A 103 0.735 -3.339 -4.615 1.00 1.10 H new ATOM 0 HD22 LEU A 103 0.241 -1.943 -5.602 1.00 1.10 H new ATOM 0 HD23 LEU A 103 -0.961 -3.167 -5.126 1.00 1.10 H new ATOM 1629 N LEU A 104 -3.864 -2.362 -8.476 1.00 0.58 N ATOM 1630 CA LEU A 104 -4.895 -1.883 -9.399 1.00 0.60 C ATOM 1631 C LEU A 104 -4.488 -0.535 -10.000 1.00 0.55 C ATOM 1632 O LEU A 104 -4.227 0.413 -9.253 1.00 0.50 O ATOM 1633 CB LEU A 104 -6.237 -1.743 -8.655 1.00 0.65 C ATOM 1634 CG LEU A 104 -6.710 -2.957 -7.846 1.00 0.71 C ATOM 1635 CD1 LEU A 104 -8.093 -2.670 -7.243 1.00 0.80 C ATOM 1636 CD2 LEU A 104 -6.759 -4.251 -8.670 1.00 0.77 C ATOM 0 H LEU A 104 -3.992 -2.031 -7.520 1.00 0.58 H new ATOM 0 HA LEU A 104 -5.006 -2.606 -10.207 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -6.163 -0.892 -7.978 1.00 0.65 H new ATOM 0 HB3 LEU A 104 -7.008 -1.502 -9.387 1.00 0.65 H new ATOM 0 HG LEU A 104 -5.976 -3.116 -7.056 1.00 0.71 H new ATOM 0 HD11 LEU A 104 -8.426 -3.535 -6.669 1.00 0.80 H new ATOM 0 HD12 LEU A 104 -8.031 -1.801 -6.588 1.00 0.80 H new ATOM 0 HD13 LEU A 104 -8.805 -2.470 -8.044 1.00 0.80 H new ATOM 0 HD21 LEU A 104 -7.101 -5.071 -8.039 1.00 0.77 H new ATOM 0 HD22 LEU A 104 -7.447 -4.124 -9.506 1.00 0.77 H new ATOM 0 HD23 LEU A 104 -5.763 -4.478 -9.051 1.00 0.77 H new ATOM 1648 N PHE A 105 -4.488 -0.399 -11.329 1.00 0.59 N ATOM 1649 CA PHE A 105 -4.083 0.843 -12.003 1.00 0.58 C ATOM 1650 C PHE A 105 -5.125 1.388 -12.979 1.00 0.62 C ATOM 1651 O PHE A 105 -5.521 0.721 -13.935 1.00 0.80 O ATOM 1652 CB PHE A 105 -2.793 0.634 -12.790 1.00 0.63 C ATOM 1653 CG PHE A 105 -1.551 0.425 -11.967 1.00 0.57 C ATOM 1654 CD1 PHE A 105 -1.204 -0.868 -11.540 1.00 1.69 C ATOM 1655 CD2 PHE A 105 -0.709 1.515 -11.690 1.00 1.71 C ATOM 1656 CE1 PHE A 105 -0.013 -1.063 -10.824 1.00 1.64 C ATOM 1657 CE2 PHE A 105 0.500 1.312 -11.009 1.00 1.77 C ATOM 1658 CZ PHE A 105 0.844 0.021 -10.573 1.00 0.62 C ATOM 0 H PHE A 105 -4.767 -1.143 -11.969 1.00 0.59 H new ATOM 0 HA PHE A 105 -3.954 1.566 -11.198 1.00 0.58 H new ATOM 0 HB2 PHE A 105 -2.923 -0.229 -13.442 1.00 0.63 H new ATOM 0 HB3 PHE A 105 -2.638 1.500 -13.434 1.00 0.63 H new ATOM 0 HD1 PHE A 105 -1.849 -1.705 -11.761 1.00 1.69 H new ATOM 0 HD2 PHE A 105 -0.993 2.509 -12.002 1.00 1.71 H new ATOM 0 HE1 PHE A 105 0.245 -2.048 -10.465 1.00 1.64 H new ATOM 0 HE2 PHE A 105 1.163 2.143 -10.821 1.00 1.77 H new ATOM 0 HZ PHE A 105 1.771 -0.138 -10.043 1.00 0.62 H new ATOM 1668 N ALA A 106 -5.466 2.663 -12.782 1.00 0.66 N ATOM 1669 CA ALA A 106 -6.267 3.502 -13.684 1.00 0.63 C ATOM 1670 C ALA A 106 -7.587 2.855 -14.162 1.00 1.60 C ATOM 1671 O ALA A 106 -8.057 3.155 -15.258 1.00 2.32 O ATOM 1672 CB ALA A 106 -5.356 3.934 -14.848 1.00 1.45 C ATOM 0 H ALA A 106 -5.176 3.168 -11.944 1.00 0.66 H new ATOM 0 HA ALA A 106 -6.615 4.374 -13.129 1.00 0.63 H new ATOM 0 HB1 ALA A 106 -5.921 4.560 -15.539 1.00 1.45 H new ATOM 0 HB2 ALA A 106 -4.509 4.497 -14.457 1.00 1.45 H new ATOM 0 HB3 ALA A 106 -4.993 3.051 -15.373 1.00 1.45 H new ATOM 1678 N GLY A 107 -8.129 1.892 -13.400 1.00 2.39 N ATOM 1679 CA GLY A 107 -9.208 0.985 -13.816 1.00 3.45 C ATOM 1680 C GLY A 107 -8.748 -0.067 -14.834 1.00 2.93 C ATOM 1681 O GLY A 107 -8.921 -1.261 -14.617 1.00 3.93 O ATOM 0 H GLY A 107 -7.817 1.718 -12.445 1.00 2.39 H new ATOM 0 HA2 GLY A 107 -9.610 0.481 -12.937 1.00 3.45 H new ATOM 0 HA3 GLY A 107 -10.020 1.570 -14.248 1.00 3.45 H new ATOM 1685 N GLY A 108 -8.165 0.380 -15.950 1.00 1.79 N ATOM 1686 CA GLY A 108 -7.864 -0.434 -17.135 1.00 1.60 C ATOM 1687 C GLY A 108 -6.501 -1.137 -17.158 1.00 1.42 C ATOM 1688 O GLY A 108 -6.055 -1.478 -18.251 1.00 1.89 O ATOM 0 H GLY A 108 -7.879 1.353 -16.059 1.00 1.79 H new ATOM 0 HA2 GLY A 108 -8.640 -1.193 -17.233 1.00 1.60 H new ATOM 0 HA3 GLY A 108 -7.932 0.207 -18.014 1.00 1.60 H new ATOM 1692 N LYS A 109 -5.812 -1.304 -16.022 1.00 1.11 N ATOM 1693 CA LYS A 109 -4.664 -2.191 -15.785 1.00 1.06 C ATOM 1694 C LYS A 109 -4.745 -2.820 -14.374 1.00 1.00 C ATOM 1695 O LYS A 109 -5.276 -2.220 -13.446 1.00 1.09 O ATOM 1696 CB LYS A 109 -3.348 -1.385 -15.863 1.00 0.98 C ATOM 1697 CG LYS A 109 -2.419 -1.626 -17.061 1.00 1.25 C ATOM 1698 CD LYS A 109 -2.912 -1.162 -18.433 1.00 2.24 C ATOM 1699 CE LYS A 109 -3.287 0.330 -18.437 1.00 3.21 C ATOM 1700 NZ LYS A 109 -4.322 0.620 -19.461 1.00 4.23 N ATOM 0 H LYS A 109 -6.061 -0.784 -15.181 1.00 1.11 H new ATOM 0 HA LYS A 109 -4.684 -2.971 -16.546 1.00 1.06 H new ATOM 0 HB2 LYS A 109 -3.605 -0.326 -15.849 1.00 0.98 H new ATOM 0 HB3 LYS A 109 -2.780 -1.587 -14.955 1.00 0.98 H new ATOM 0 HG2 LYS A 109 -1.470 -1.130 -16.858 1.00 1.25 H new ATOM 0 HG3 LYS A 109 -2.214 -2.695 -17.120 1.00 1.25 H new ATOM 0 HD2 LYS A 109 -2.136 -1.343 -19.177 1.00 2.24 H new ATOM 0 HD3 LYS A 109 -3.779 -1.754 -18.726 1.00 2.24 H new ATOM 0 HE2 LYS A 109 -3.655 0.618 -17.452 1.00 3.21 H new ATOM 0 HE3 LYS A 109 -2.399 0.931 -18.633 1.00 3.21 H new ATOM 0 HZ1 LYS A 109 -4.617 1.614 -19.385 1.00 4.23 H new ATOM 0 HZ2 LYS A 109 -3.931 0.447 -20.409 1.00 4.23 H new ATOM 0 HZ3 LYS A 109 -5.145 0.002 -19.308 1.00 4.23 H new ATOM 1714 N VAL A 110 -4.068 -3.949 -14.194 1.00 0.93 N ATOM 1715 CA VAL A 110 -3.694 -4.531 -12.908 1.00 0.84 C ATOM 1716 C VAL A 110 -2.330 -5.202 -13.076 1.00 0.88 C ATOM 1717 O VAL A 110 -2.071 -5.778 -14.136 1.00 1.01 O ATOM 1718 CB VAL A 110 -4.779 -5.515 -12.413 1.00 0.83 C ATOM 1719 CG1 VAL A 110 -5.163 -6.581 -13.454 1.00 0.95 C ATOM 1720 CG2 VAL A 110 -4.396 -6.217 -11.105 1.00 0.81 C ATOM 0 H VAL A 110 -3.748 -4.513 -14.982 1.00 0.93 H new ATOM 0 HA VAL A 110 -3.619 -3.759 -12.143 1.00 0.84 H new ATOM 0 HB VAL A 110 -5.647 -4.879 -12.236 1.00 0.83 H new ATOM 0 HG11 VAL A 110 -5.929 -7.236 -13.038 1.00 0.95 H new ATOM 0 HG12 VAL A 110 -5.550 -6.093 -14.349 1.00 0.95 H new ATOM 0 HG13 VAL A 110 -4.283 -7.170 -13.713 1.00 0.95 H new ATOM 0 HG21 VAL A 110 -5.196 -6.895 -10.808 1.00 0.81 H new ATOM 0 HG22 VAL A 110 -3.477 -6.784 -11.252 1.00 0.81 H new ATOM 0 HG23 VAL A 110 -4.242 -5.472 -10.324 1.00 0.81 H new ATOM 1730 N LEU A 111 -1.460 -5.100 -12.069 1.00 0.82 N ATOM 1731 CA LEU A 111 -0.168 -5.784 -12.013 1.00 0.86 C ATOM 1732 C LEU A 111 -0.162 -6.676 -10.771 1.00 0.87 C ATOM 1733 O LEU A 111 -0.077 -6.197 -9.642 1.00 0.92 O ATOM 1734 CB LEU A 111 0.993 -4.768 -11.969 1.00 0.97 C ATOM 1735 CG LEU A 111 1.092 -3.799 -13.166 1.00 1.28 C ATOM 1736 CD1 LEU A 111 2.288 -2.856 -12.967 1.00 1.82 C ATOM 1737 CD2 LEU A 111 1.263 -4.528 -14.509 1.00 1.55 C ATOM 0 H LEU A 111 -1.641 -4.523 -11.248 1.00 0.82 H new ATOM 0 HA LEU A 111 -0.026 -6.389 -12.908 1.00 0.86 H new ATOM 0 HB2 LEU A 111 0.899 -4.178 -11.057 1.00 0.97 H new ATOM 0 HB3 LEU A 111 1.930 -5.320 -11.896 1.00 0.97 H new ATOM 0 HG LEU A 111 0.154 -3.245 -13.202 1.00 1.28 H new ATOM 0 HD11 LEU A 111 2.357 -2.172 -13.813 1.00 1.82 H new ATOM 0 HD12 LEU A 111 2.152 -2.285 -12.049 1.00 1.82 H new ATOM 0 HD13 LEU A 111 3.205 -3.441 -12.898 1.00 1.82 H new ATOM 0 HD21 LEU A 111 1.327 -3.796 -15.315 1.00 1.55 H new ATOM 0 HD22 LEU A 111 2.176 -5.123 -14.486 1.00 1.55 H new ATOM 0 HD23 LEU A 111 0.408 -5.182 -14.680 1.00 1.55 H new ATOM 1749 N LYS A 112 -0.266 -7.987 -10.961 1.00 1.09 N ATOM 1750 CA LYS A 112 -0.222 -8.930 -9.844 1.00 1.24 C ATOM 1751 C LYS A 112 1.224 -9.178 -9.387 1.00 1.30 C ATOM 1752 O LYS A 112 2.087 -9.515 -10.201 1.00 1.52 O ATOM 1753 CB LYS A 112 -1.004 -10.204 -10.201 1.00 1.57 C ATOM 1754 CG LYS A 112 -0.375 -11.052 -11.310 1.00 2.29 C ATOM 1755 CD LYS A 112 -1.359 -12.136 -11.765 1.00 2.81 C ATOM 1756 CE LYS A 112 -0.753 -12.918 -12.934 1.00 3.69 C ATOM 1757 NZ LYS A 112 -1.697 -13.940 -13.445 1.00 4.97 N ATOM 0 H LYS A 112 -0.381 -8.423 -11.876 1.00 1.09 H new ATOM 0 HA LYS A 112 -0.722 -8.501 -8.976 1.00 1.24 H new ATOM 0 HB2 LYS A 112 -1.102 -10.817 -9.305 1.00 1.57 H new ATOM 0 HB3 LYS A 112 -2.012 -9.922 -10.506 1.00 1.57 H new ATOM 0 HG2 LYS A 112 -0.104 -10.418 -12.154 1.00 2.29 H new ATOM 0 HG3 LYS A 112 0.545 -11.513 -10.949 1.00 2.29 H new ATOM 0 HD2 LYS A 112 -1.581 -12.811 -10.938 1.00 2.81 H new ATOM 0 HD3 LYS A 112 -2.302 -11.682 -12.068 1.00 2.81 H new ATOM 0 HE2 LYS A 112 -0.489 -12.230 -13.737 1.00 3.69 H new ATOM 0 HE3 LYS A 112 0.170 -13.401 -12.612 1.00 3.69 H new ATOM 0 HZ1 LYS A 112 -1.258 -14.453 -14.236 1.00 4.97 H new ATOM 0 HZ2 LYS A 112 -1.929 -14.610 -12.684 1.00 4.97 H new ATOM 0 HZ3 LYS A 112 -2.567 -13.475 -13.774 1.00 4.97 H new ATOM 1771 N VAL A 113 1.474 -9.033 -8.089 1.00 1.23 N ATOM 1772 CA VAL A 113 2.769 -9.242 -7.420 1.00 1.29 C ATOM 1773 C VAL A 113 2.600 -10.154 -6.199 1.00 1.24 C ATOM 1774 O VAL A 113 1.481 -10.349 -5.726 1.00 1.22 O ATOM 1775 CB VAL A 113 3.417 -7.899 -6.992 1.00 1.27 C ATOM 1776 CG1 VAL A 113 3.706 -7.002 -8.210 1.00 1.48 C ATOM 1777 CG2 VAL A 113 2.581 -7.116 -5.962 1.00 1.31 C ATOM 0 H VAL A 113 0.744 -8.752 -7.434 1.00 1.23 H new ATOM 0 HA VAL A 113 3.434 -9.722 -8.138 1.00 1.29 H new ATOM 0 HB VAL A 113 4.355 -8.172 -6.509 1.00 1.27 H new ATOM 0 HG11 VAL A 113 4.160 -6.069 -7.875 1.00 1.48 H new ATOM 0 HG12 VAL A 113 4.389 -7.516 -8.886 1.00 1.48 H new ATOM 0 HG13 VAL A 113 2.774 -6.785 -8.732 1.00 1.48 H new ATOM 0 HG21 VAL A 113 3.093 -6.188 -5.708 1.00 1.31 H new ATOM 0 HG22 VAL A 113 1.603 -6.887 -6.386 1.00 1.31 H new ATOM 0 HG23 VAL A 113 2.454 -7.719 -5.063 1.00 1.31 H new ATOM 1787 N VAL A 114 3.709 -10.696 -5.689 1.00 1.33 N ATOM 1788 CA VAL A 114 3.819 -11.319 -4.373 1.00 1.21 C ATOM 1789 C VAL A 114 4.572 -10.374 -3.432 1.00 1.19 C ATOM 1790 O VAL A 114 5.348 -9.541 -3.897 1.00 1.44 O ATOM 1791 CB VAL A 114 4.493 -12.697 -4.413 1.00 1.30 C ATOM 1792 CG1 VAL A 114 3.538 -13.762 -4.980 1.00 2.96 C ATOM 1793 CG2 VAL A 114 5.780 -12.633 -5.218 1.00 2.05 C ATOM 0 H VAL A 114 4.589 -10.712 -6.205 1.00 1.33 H new ATOM 0 HA VAL A 114 2.808 -11.491 -4.003 1.00 1.21 H new ATOM 0 HB VAL A 114 4.742 -12.987 -3.392 1.00 1.30 H new ATOM 0 HG11 VAL A 114 4.041 -14.729 -4.997 1.00 2.96 H new ATOM 0 HG12 VAL A 114 2.650 -13.826 -4.351 1.00 2.96 H new ATOM 0 HG13 VAL A 114 3.246 -13.487 -5.993 1.00 2.96 H new ATOM 0 HG21 VAL A 114 6.246 -13.618 -5.237 1.00 2.05 H new ATOM 0 HG22 VAL A 114 5.556 -12.317 -6.237 1.00 2.05 H new ATOM 0 HG23 VAL A 114 6.462 -11.918 -4.758 1.00 2.05 H new ATOM 1803 N LEU A 115 4.338 -10.524 -2.127 1.00 1.03 N ATOM 1804 CA LEU A 115 5.027 -9.834 -1.031 1.00 1.02 C ATOM 1805 C LEU A 115 5.234 -10.820 0.141 1.00 0.95 C ATOM 1806 O LEU A 115 4.370 -11.679 0.336 1.00 1.08 O ATOM 1807 CB LEU A 115 4.158 -8.657 -0.534 1.00 1.16 C ATOM 1808 CG LEU A 115 3.909 -7.500 -1.524 1.00 1.21 C ATOM 1809 CD1 LEU A 115 2.944 -6.486 -0.888 1.00 1.61 C ATOM 1810 CD2 LEU A 115 5.202 -6.771 -1.903 1.00 1.38 C ATOM 0 H LEU A 115 3.623 -11.166 -1.786 1.00 1.03 H new ATOM 0 HA LEU A 115 5.988 -9.463 -1.387 1.00 1.02 H new ATOM 0 HB2 LEU A 115 3.190 -9.056 -0.230 1.00 1.16 H new ATOM 0 HB3 LEU A 115 4.627 -8.243 0.359 1.00 1.16 H new ATOM 0 HG LEU A 115 3.485 -7.932 -2.430 1.00 1.21 H new ATOM 0 HD11 LEU A 115 2.766 -5.667 -1.585 1.00 1.61 H new ATOM 0 HD12 LEU A 115 1.999 -6.978 -0.657 1.00 1.61 H new ATOM 0 HD13 LEU A 115 3.382 -6.093 0.030 1.00 1.61 H new ATOM 0 HD21 LEU A 115 4.974 -5.966 -2.601 1.00 1.38 H new ATOM 0 HD22 LEU A 115 5.661 -6.355 -1.006 1.00 1.38 H new ATOM 0 HD23 LEU A 115 5.892 -7.473 -2.371 1.00 1.38 H new ATOM 1822 N PRO A 116 6.297 -10.694 0.960 1.00 0.87 N ATOM 1823 CA PRO A 116 6.522 -11.533 2.138 1.00 0.84 C ATOM 1824 C PRO A 116 5.698 -11.070 3.352 1.00 0.85 C ATOM 1825 O PRO A 116 5.408 -9.880 3.509 1.00 0.90 O ATOM 1826 CB PRO A 116 8.021 -11.411 2.425 1.00 0.88 C ATOM 1827 CG PRO A 116 8.346 -9.989 1.961 1.00 0.92 C ATOM 1828 CD PRO A 116 7.435 -9.813 0.746 1.00 0.93 C ATOM 0 HA PRO A 116 6.210 -12.561 1.953 1.00 0.84 H new ATOM 0 HB2 PRO A 116 8.242 -11.551 3.483 1.00 0.88 H new ATOM 0 HB3 PRO A 116 8.599 -12.156 1.878 1.00 0.88 H new ATOM 0 HG2 PRO A 116 8.134 -9.252 2.736 1.00 0.92 H new ATOM 0 HG3 PRO A 116 9.398 -9.880 1.697 1.00 0.92 H new ATOM 0 HD2 PRO A 116 7.112 -8.777 0.649 1.00 0.93 H new ATOM 0 HD3 PRO A 116 7.959 -10.071 -0.174 1.00 0.93 H new ATOM 1836 N VAL A 117 5.379 -12.002 4.254 1.00 0.91 N ATOM 1837 CA VAL A 117 4.807 -11.713 5.574 1.00 0.96 C ATOM 1838 C VAL A 117 5.899 -11.286 6.571 1.00 0.89 C ATOM 1839 O VAL A 117 7.007 -11.819 6.571 1.00 1.05 O ATOM 1840 CB VAL A 117 4.000 -12.916 6.103 1.00 1.10 C ATOM 1841 CG1 VAL A 117 3.426 -12.582 7.478 1.00 1.16 C ATOM 1842 CG2 VAL A 117 2.812 -13.228 5.186 1.00 1.25 C ATOM 0 H VAL A 117 5.513 -12.999 4.085 1.00 0.91 H new ATOM 0 HA VAL A 117 4.118 -10.876 5.465 1.00 0.96 H new ATOM 0 HB VAL A 117 4.675 -13.771 6.147 1.00 1.10 H new ATOM 0 HG11 VAL A 117 2.856 -13.433 7.851 1.00 1.16 H new ATOM 0 HG12 VAL A 117 4.240 -12.360 8.168 1.00 1.16 H new ATOM 0 HG13 VAL A 117 2.772 -11.714 7.398 1.00 1.16 H new ATOM 0 HG21 VAL A 117 2.260 -14.080 5.582 1.00 1.25 H new ATOM 0 HG22 VAL A 117 2.153 -12.361 5.136 1.00 1.25 H new ATOM 0 HG23 VAL A 117 3.176 -13.465 4.186 1.00 1.25 H new ATOM 1852 N GLU A 118 5.555 -10.319 7.427 1.00 0.98 N ATOM 1853 CA GLU A 118 6.456 -9.543 8.283 1.00 0.94 C ATOM 1854 C GLU A 118 5.714 -8.981 9.506 1.00 1.05 C ATOM 1855 O GLU A 118 4.487 -8.978 9.543 1.00 1.39 O ATOM 1856 CB GLU A 118 7.027 -8.396 7.437 1.00 1.44 C ATOM 1857 CG GLU A 118 8.523 -8.531 7.151 1.00 1.91 C ATOM 1858 CD GLU A 118 9.356 -7.771 8.173 1.00 2.06 C ATOM 1859 OE1 GLU A 118 8.978 -7.733 9.366 1.00 2.94 O ATOM 1860 OE2 GLU A 118 10.346 -7.147 7.735 1.00 2.86 O ATOM 0 H GLU A 118 4.581 -10.041 7.548 1.00 0.98 H new ATOM 0 HA GLU A 118 7.254 -10.184 8.656 1.00 0.94 H new ATOM 0 HB2 GLU A 118 6.488 -8.350 6.491 1.00 1.44 H new ATOM 0 HB3 GLU A 118 6.848 -7.452 7.952 1.00 1.44 H new ATOM 0 HG2 GLU A 118 8.803 -9.584 7.162 1.00 1.91 H new ATOM 0 HG3 GLU A 118 8.739 -8.154 6.151 1.00 1.91 H new ATOM 1867 N ALA A 119 6.447 -8.485 10.506 1.00 1.16 N ATOM 1868 CA ALA A 119 5.920 -8.120 11.832 1.00 1.30 C ATOM 1869 C ALA A 119 6.105 -6.627 12.175 1.00 1.40 C ATOM 1870 O ALA A 119 6.203 -6.250 13.347 1.00 2.00 O ATOM 1871 CB ALA A 119 6.583 -9.052 12.858 1.00 1.62 C ATOM 0 H ALA A 119 7.450 -8.320 10.418 1.00 1.16 H new ATOM 0 HA ALA A 119 4.838 -8.255 11.844 1.00 1.30 H new ATOM 0 HB1 ALA A 119 6.217 -8.813 13.857 1.00 1.62 H new ATOM 0 HB2 ALA A 119 6.338 -10.087 12.621 1.00 1.62 H new ATOM 0 HB3 ALA A 119 7.664 -8.918 12.826 1.00 1.62 H new ATOM 1877 N ARG A 120 6.168 -5.779 11.144 1.00 1.47 N ATOM 1878 CA ARG A 120 6.515 -4.350 11.242 1.00 1.59 C ATOM 1879 C ARG A 120 5.413 -3.450 10.713 1.00 2.04 C ATOM 1880 O ARG A 120 4.811 -2.749 11.554 1.00 2.12 O ATOM 1881 CB ARG A 120 7.847 -4.082 10.526 1.00 1.99 C ATOM 1882 CG ARG A 120 9.025 -4.787 11.221 1.00 2.63 C ATOM 1883 CD ARG A 120 10.375 -4.424 10.592 1.00 2.94 C ATOM 1884 NE ARG A 120 10.446 -4.799 9.168 1.00 3.55 N ATOM 1885 CZ ARG A 120 10.312 -4.038 8.102 1.00 4.32 C ATOM 1886 NH1 ARG A 120 10.166 -2.749 8.185 1.00 4.62 N ATOM 1887 NH2 ARG A 120 10.316 -4.580 6.924 1.00 5.88 N ATOM 1888 OXT ARG A 120 5.129 -3.479 9.497 1.00 3.05 O ATOM 0 H ARG A 120 5.974 -6.073 10.187 1.00 1.47 H new ATOM 0 HA ARG A 120 6.628 -4.108 12.299 1.00 1.59 H new ATOM 0 HB2 ARG A 120 7.779 -4.423 9.493 1.00 1.99 H new ATOM 0 HB3 ARG A 120 8.033 -3.008 10.496 1.00 1.99 H new ATOM 0 HG2 ARG A 120 9.035 -4.517 12.277 1.00 2.63 H new ATOM 0 HG3 ARG A 120 8.881 -5.866 11.169 1.00 2.63 H new ATOM 0 HD2 ARG A 120 10.544 -3.352 10.692 1.00 2.94 H new ATOM 0 HD3 ARG A 120 11.174 -4.925 11.138 1.00 2.94 H new ATOM 0 HE ARG A 120 10.624 -5.786 8.983 1.00 3.55 H new ATOM 0 HH11 ARG A 120 10.153 -2.295 9.098 1.00 4.62 H new ATOM 0 HH12 ARG A 120 10.065 -2.192 7.337 1.00 4.62 H new ATOM 0 HH21 ARG A 120 10.422 -5.590 6.828 1.00 5.88 H new ATOM 0 HH22 ARG A 120 10.213 -3.997 6.094 1.00 5.88 H new