USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 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 57 GLN : amide:sc= 0.821 K(o=1.9,f=-0.36) USER MOD Set 1.2: A 59 GLN : amide:sc= 1.13 K(o=1.9,f=-0.16) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 138:sc= 0.0494 (180deg=0) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.483 K(o=-0.43,f=-4.3!) USER MOD Set 3.1: A 31 GLN : amide:sc= -0.878! C(o=-0.87!,f=-3.6!) USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.00981 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.33 (180deg=1.2) USER MOD Single : A 13 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.65) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.26 X(o=-2.3,f=-2.7) USER MOD Single : A 29 THR OG1 : rot -79:sc= 0.648 USER MOD Single : A 34 SER OG : rot 82:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot 178:sc= 0.987 USER MOD Single : A 41 SER OG : rot 122:sc= 1.25 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.0025) USER MOD Single : A 64 SER OG : rot 180:sc= 0.142 USER MOD Single : A 65 ASN : amide:sc= 0.544 K(o=0.54,f=-0.14) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.06) USER MOD Single : A 70 THR OG1 : rot -124:sc= 1.3 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 107:sc= 1.13 USER MOD Single : A 83 GLN : amide:sc= -0.998 X(o=-1,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 130:sc=-0.00119 USER MOD Single : A 95 SER OG : rot -133:sc= 0.851 USER MOD Single : A 98 SER OG : rot -50:sc= 0.679 USER MOD Single : A 102 HIS : no HE2:sc= 0.981 K(o=0.98,f=-6!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc=0.000321 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 18.101 -3.730 2.641 1.00 1.09 N ATOM 78 CA LYS A 7 16.683 -3.993 2.907 1.00 1.10 C ATOM 79 C LYS A 7 16.009 -2.836 3.647 1.00 0.91 C ATOM 80 O LYS A 7 16.252 -2.612 4.835 1.00 0.98 O ATOM 81 CB LYS A 7 16.508 -5.298 3.694 1.00 1.37 C ATOM 82 CG LYS A 7 15.076 -5.811 3.727 1.00 1.06 C ATOM 83 CD LYS A 7 14.695 -6.308 5.113 1.00 1.05 C ATOM 84 CE LYS A 7 13.845 -5.289 5.857 1.00 1.34 C ATOM 85 NZ LYS A 7 14.416 -4.945 7.185 1.00 2.06 N ATOM 0 HA LYS A 7 16.193 -4.094 1.938 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.148 -6.064 3.255 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.852 -5.143 4.717 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.396 -5.015 3.425 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.961 -6.619 3.005 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.147 -7.246 5.026 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.598 -6.518 5.686 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.756 -4.384 5.256 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.838 -5.685 5.988 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.787 -4.274 7.670 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 14.509 -5.808 7.757 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 15.353 -4.512 7.058 1.00 2.06 H new ATOM 99 N PRO A 8 15.056 -2.159 2.985 1.00 0.74 N ATOM 100 CA PRO A 8 14.250 -1.123 3.616 1.00 0.60 C ATOM 101 C PRO A 8 13.241 -1.730 4.579 1.00 0.52 C ATOM 102 O PRO A 8 12.822 -2.876 4.411 1.00 0.60 O ATOM 103 CB PRO A 8 13.531 -0.434 2.453 1.00 0.61 C ATOM 104 CG PRO A 8 13.997 -1.120 1.204 1.00 0.84 C ATOM 105 CD PRO A 8 14.598 -2.433 1.621 1.00 0.81 C ATOM 0 HA PRO A 8 14.856 -0.432 4.202 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.449 -0.516 2.561 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.769 0.629 2.424 1.00 0.61 H new ATOM 0 HG2 PRO A 8 13.165 -1.278 0.517 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.732 -0.509 0.680 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.866 -3.240 1.594 1.00 0.81 H new ATOM 0 HD3 PRO A 8 15.421 -2.727 0.969 1.00 0.81 H new ATOM 113 N ASP A 9 12.906 -0.987 5.612 1.00 0.44 N ATOM 114 CA ASP A 9 12.025 -1.493 6.654 1.00 0.48 C ATOM 115 C ASP A 9 10.568 -1.231 6.298 1.00 0.41 C ATOM 116 O ASP A 9 10.288 -0.503 5.345 1.00 0.41 O ATOM 117 CB ASP A 9 12.377 -0.825 7.984 1.00 0.61 C ATOM 118 CG ASP A 9 12.898 -1.807 9.014 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.434 -2.860 8.609 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.768 -1.537 10.228 1.00 1.53 O ATOM 0 H ASP A 9 13.228 -0.030 5.757 1.00 0.44 H new ATOM 0 HA ASP A 9 12.162 -2.571 6.744 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.128 -0.054 7.811 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.493 -0.325 8.380 1.00 0.61 H new ATOM 125 N PRO A 10 9.616 -1.839 7.034 1.00 0.56 N ATOM 126 CA PRO A 10 8.184 -1.617 6.814 1.00 0.74 C ATOM 127 C PRO A 10 7.839 -0.130 6.787 1.00 0.67 C ATOM 128 O PRO A 10 8.208 0.609 7.701 1.00 0.97 O ATOM 129 CB PRO A 10 7.533 -2.285 8.025 1.00 1.05 C ATOM 130 CG PRO A 10 8.487 -3.351 8.426 1.00 1.12 C ATOM 131 CD PRO A 10 9.857 -2.813 8.120 1.00 0.78 C ATOM 0 HA PRO A 10 7.848 -2.016 5.857 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.374 -1.571 8.833 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.558 -2.701 7.771 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.387 -3.586 9.486 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.297 -4.273 7.876 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.305 -2.337 8.993 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.537 -3.604 7.805 1.00 0.78 H new ATOM 139 N PRO A 11 7.197 0.341 5.704 1.00 0.37 N ATOM 140 CA PRO A 11 6.853 1.757 5.534 1.00 0.38 C ATOM 141 C PRO A 11 6.060 2.307 6.717 1.00 0.28 C ATOM 142 O PRO A 11 5.355 1.567 7.406 1.00 0.35 O ATOM 143 CB PRO A 11 6.003 1.785 4.253 1.00 0.50 C ATOM 144 CG PRO A 11 5.701 0.359 3.931 1.00 0.64 C ATOM 145 CD PRO A 11 6.804 -0.457 4.538 1.00 0.41 C ATOM 0 HA PRO A 11 7.744 2.381 5.473 1.00 0.38 H new ATOM 0 HB2 PRO A 11 5.086 2.354 4.405 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.543 2.264 3.436 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.733 0.066 4.337 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.654 0.206 2.853 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.460 -1.451 4.826 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.633 -0.595 3.844 1.00 0.41 H new ATOM 153 N GLU A 12 6.177 3.605 6.949 1.00 0.28 N ATOM 154 CA GLU A 12 5.477 4.243 8.053 1.00 0.30 C ATOM 155 C GLU A 12 4.593 5.367 7.542 1.00 0.28 C ATOM 156 O GLU A 12 4.694 5.756 6.378 1.00 0.31 O ATOM 157 CB GLU A 12 6.473 4.787 9.078 1.00 0.47 C ATOM 158 CG GLU A 12 6.400 4.086 10.422 1.00 0.98 C ATOM 159 CD GLU A 12 7.473 3.035 10.580 1.00 1.58 C ATOM 160 OE1 GLU A 12 8.662 3.350 10.374 1.00 2.11 O ATOM 161 OE2 GLU A 12 7.135 1.881 10.910 1.00 2.09 O ATOM 0 H GLU A 12 6.749 4.237 6.389 1.00 0.28 H new ATOM 0 HA GLU A 12 4.850 3.494 8.537 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.483 4.688 8.680 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.290 5.852 9.222 1.00 0.47 H new ATOM 0 HG2 GLU A 12 6.496 4.823 11.219 1.00 0.98 H new ATOM 0 HG3 GLU A 12 5.420 3.621 10.534 1.00 0.98 H new ATOM 168 N ASN A 13 3.675 5.814 8.396 1.00 0.33 N ATOM 169 CA ASN A 13 2.696 6.843 8.042 1.00 0.37 C ATOM 170 C ASN A 13 1.705 6.286 7.032 1.00 0.32 C ATOM 171 O ASN A 13 1.160 7.013 6.202 1.00 0.35 O ATOM 172 CB ASN A 13 3.386 8.096 7.483 1.00 0.45 C ATOM 173 CG ASN A 13 3.023 9.356 8.244 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.861 9.336 9.465 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.903 10.465 7.534 1.00 1.01 N ATOM 0 H ASN A 13 3.588 5.474 9.354 1.00 0.33 H new ATOM 0 HA ASN A 13 2.160 7.134 8.945 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.466 7.956 7.516 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.113 8.219 6.435 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.669 11.344 7.996 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.045 10.442 6.524 1.00 1.01 H new ATOM 182 N VAL A 14 1.518 4.975 7.093 1.00 0.30 N ATOM 183 CA VAL A 14 0.648 4.268 6.175 1.00 0.29 C ATOM 184 C VAL A 14 -0.771 4.205 6.718 1.00 0.32 C ATOM 185 O VAL A 14 -1.030 3.563 7.738 1.00 0.47 O ATOM 186 CB VAL A 14 1.150 2.834 5.925 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.673 2.327 4.584 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.665 2.768 6.000 1.00 0.69 C ATOM 0 H VAL A 14 1.968 4.374 7.783 1.00 0.30 H new ATOM 0 HA VAL A 14 0.656 4.819 5.234 1.00 0.29 H new ATOM 0 HB VAL A 14 0.738 2.195 6.706 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.039 1.312 4.428 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.417 2.327 4.562 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.052 2.975 3.794 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.994 1.745 5.820 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.096 3.426 5.245 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.995 3.086 6.989 1.00 0.69 H new ATOM 198 N VAL A 15 -1.679 4.892 6.047 1.00 0.27 N ATOM 199 CA VAL A 15 -3.074 4.920 6.452 1.00 0.35 C ATOM 200 C VAL A 15 -3.985 4.933 5.234 1.00 0.34 C ATOM 201 O VAL A 15 -3.740 5.663 4.268 1.00 0.39 O ATOM 202 CB VAL A 15 -3.401 6.149 7.333 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.262 5.805 8.806 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.521 7.338 6.967 1.00 1.48 C ATOM 0 H VAL A 15 -1.473 5.442 5.213 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.247 4.018 7.039 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.437 6.432 7.145 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.496 6.683 9.408 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -3.950 4.998 9.058 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.240 5.487 9.010 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.773 8.187 7.603 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.474 7.074 7.113 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.686 7.605 5.923 1.00 1.48 H new ATOM 214 N ALA A 16 -5.057 4.164 5.303 1.00 0.35 N ATOM 215 CA ALA A 16 -6.051 4.149 4.247 1.00 0.38 C ATOM 216 C ALA A 16 -7.242 5.004 4.657 1.00 0.36 C ATOM 217 O ALA A 16 -7.781 4.840 5.751 1.00 0.39 O ATOM 218 CB ALA A 16 -6.481 2.725 3.942 1.00 0.45 C ATOM 0 H ALA A 16 -5.261 3.540 6.083 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.617 4.566 3.338 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.227 2.733 3.147 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.616 2.144 3.622 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.909 2.275 4.837 1.00 0.45 H new ATOM 224 N ARG A 17 -7.557 6.001 3.848 1.00 0.37 N ATOM 225 CA ARG A 17 -8.598 6.957 4.194 1.00 0.37 C ATOM 226 C ARG A 17 -9.684 7.002 3.125 1.00 0.35 C ATOM 227 O ARG A 17 -9.421 6.755 1.946 1.00 0.48 O ATOM 228 CB ARG A 17 -7.989 8.350 4.386 1.00 0.50 C ATOM 229 CG ARG A 17 -7.573 9.023 3.086 1.00 1.21 C ATOM 230 CD ARG A 17 -6.202 9.664 3.204 1.00 1.69 C ATOM 231 NE ARG A 17 -6.210 10.788 4.136 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.177 11.131 4.902 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.029 10.465 4.820 1.00 3.37 N ATOM 234 NH2 ARG A 17 -5.285 12.154 5.741 1.00 3.99 N ATOM 0 H ARG A 17 -7.108 6.171 2.948 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.058 6.634 5.128 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -8.712 8.985 4.898 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.119 8.269 5.037 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.564 8.288 2.281 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -8.308 9.781 2.816 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -5.480 8.919 3.538 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -5.875 10.007 2.223 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.061 11.346 4.204 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -3.936 9.687 4.167 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.241 10.733 5.410 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -6.159 12.676 5.798 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.494 12.418 6.328 1.00 3.99 H new ATOM 248 N PRO A 18 -10.922 7.303 3.526 1.00 0.31 N ATOM 249 CA PRO A 18 -12.049 7.399 2.611 1.00 0.38 C ATOM 250 C PRO A 18 -12.069 8.733 1.879 1.00 0.39 C ATOM 251 O PRO A 18 -11.952 9.791 2.499 1.00 0.46 O ATOM 252 CB PRO A 18 -13.280 7.294 3.522 1.00 0.49 C ATOM 253 CG PRO A 18 -12.757 7.077 4.908 1.00 0.57 C ATOM 254 CD PRO A 18 -11.336 7.557 4.907 1.00 0.43 C ATOM 0 HA PRO A 18 -12.007 6.628 1.841 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.881 8.202 3.470 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.922 6.469 3.215 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.352 7.627 5.638 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.810 6.023 5.182 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.263 8.613 5.166 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.722 7.011 5.623 1.00 0.43 H new ATOM 262 N VAL A 19 -12.263 8.688 0.572 1.00 0.40 N ATOM 263 CA VAL A 19 -12.374 9.905 -0.212 1.00 0.45 C ATOM 264 C VAL A 19 -13.837 10.324 -0.307 1.00 0.48 C ATOM 265 O VAL A 19 -14.667 9.581 -0.830 1.00 0.47 O ATOM 266 CB VAL A 19 -11.786 9.728 -1.629 1.00 0.47 C ATOM 267 CG1 VAL A 19 -11.823 11.037 -2.403 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.363 9.197 -1.552 1.00 0.52 C ATOM 0 H VAL A 19 -12.347 7.826 0.034 1.00 0.40 H new ATOM 0 HA VAL A 19 -11.799 10.682 0.292 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.401 9.002 -2.161 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -11.403 10.884 -3.397 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -12.855 11.377 -2.493 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.238 11.789 -1.874 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -9.964 9.078 -2.559 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -9.742 9.900 -0.996 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.362 8.232 -1.045 1.00 0.52 H new ATOM 278 N PRO A 20 -14.188 11.479 0.275 1.00 0.58 N ATOM 279 CA PRO A 20 -15.573 11.958 0.308 1.00 0.69 C ATOM 280 C PRO A 20 -16.147 12.153 -1.090 1.00 0.70 C ATOM 281 O PRO A 20 -15.403 12.373 -2.050 1.00 1.27 O ATOM 282 CB PRO A 20 -15.478 13.297 1.043 1.00 0.84 C ATOM 283 CG PRO A 20 -14.211 13.219 1.820 1.00 0.97 C ATOM 284 CD PRO A 20 -13.275 12.386 0.992 1.00 0.67 C ATOM 0 HA PRO A 20 -16.238 11.244 0.793 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -15.461 14.132 0.342 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.335 13.449 1.699 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -13.799 14.212 1.996 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.378 12.765 2.797 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.691 12.998 0.304 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.566 11.838 1.612 1.00 0.67 H new ATOM 292 N SER A 21 -17.470 12.017 -1.196 1.00 0.80 N ATOM 293 CA SER A 21 -18.181 12.127 -2.469 1.00 0.85 C ATOM 294 C SER A 21 -17.873 10.937 -3.391 1.00 0.65 C ATOM 295 O SER A 21 -18.375 10.860 -4.514 1.00 0.69 O ATOM 296 CB SER A 21 -17.848 13.453 -3.161 1.00 1.07 C ATOM 297 OG SER A 21 -17.934 14.540 -2.246 1.00 1.49 O ATOM 0 H SER A 21 -18.079 11.827 -0.400 1.00 0.80 H new ATOM 0 HA SER A 21 -19.250 12.108 -2.255 1.00 0.85 H new ATOM 0 HB2 SER A 21 -16.844 13.406 -3.582 1.00 1.07 H new ATOM 0 HB3 SER A 21 -18.535 13.617 -3.992 1.00 1.07 H new ATOM 0 HG SER A 21 -17.716 15.376 -2.709 1.00 1.49 H new ATOM 303 N ASN A 22 -17.091 9.984 -2.891 1.00 0.55 N ATOM 304 CA ASN A 22 -16.779 8.782 -3.646 1.00 0.44 C ATOM 305 C ASN A 22 -16.809 7.558 -2.741 1.00 0.40 C ATOM 306 O ASN A 22 -15.859 7.287 -2.007 1.00 0.43 O ATOM 307 CB ASN A 22 -15.416 8.902 -4.317 1.00 0.57 C ATOM 308 CG ASN A 22 -15.401 8.232 -5.671 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.769 7.063 -5.805 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.979 8.968 -6.683 1.00 1.28 N ATOM 0 H ASN A 22 -16.663 10.024 -1.966 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.537 8.665 -4.420 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.156 9.955 -4.429 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.655 8.452 -3.679 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.948 8.573 -7.623 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.684 9.932 -6.525 1.00 1.28 H new ATOM 317 N PRO A 23 -17.933 6.831 -2.743 1.00 0.40 N ATOM 318 CA PRO A 23 -18.145 5.685 -1.851 1.00 0.43 C ATOM 319 C PRO A 23 -17.262 4.485 -2.181 1.00 0.48 C ATOM 320 O PRO A 23 -17.305 3.467 -1.496 1.00 0.98 O ATOM 321 CB PRO A 23 -19.621 5.323 -2.067 1.00 0.56 C ATOM 322 CG PRO A 23 -20.222 6.518 -2.722 1.00 0.70 C ATOM 323 CD PRO A 23 -19.128 7.127 -3.542 1.00 0.48 C ATOM 0 HA PRO A 23 -17.891 5.942 -0.823 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.722 4.437 -2.694 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.115 5.102 -1.121 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -21.069 6.236 -3.348 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.594 7.225 -1.980 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -19.071 6.685 -4.537 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.271 8.199 -3.678 1.00 0.48 H new ATOM 331 N ARG A 24 -16.509 4.575 -3.265 1.00 0.31 N ATOM 332 CA ARG A 24 -15.682 3.459 -3.699 1.00 0.27 C ATOM 333 C ARG A 24 -14.202 3.829 -3.693 1.00 0.26 C ATOM 334 O ARG A 24 -13.346 2.998 -4.002 1.00 0.31 O ATOM 335 CB ARG A 24 -16.103 3.011 -5.101 1.00 0.35 C ATOM 336 CG ARG A 24 -16.317 1.511 -5.225 1.00 0.37 C ATOM 337 CD ARG A 24 -16.553 1.094 -6.668 1.00 0.62 C ATOM 338 NE ARG A 24 -17.931 1.333 -7.092 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.876 0.395 -7.114 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.581 -0.854 -6.774 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.108 0.699 -7.499 1.00 2.86 N ATOM 0 H ARG A 24 -16.453 5.403 -3.858 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.827 2.638 -2.996 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -17.025 3.524 -5.375 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.341 3.321 -5.816 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.447 0.986 -4.832 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.171 1.214 -4.616 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.873 1.644 -7.319 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.318 0.036 -6.782 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.184 2.275 -7.389 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -17.630 -1.096 -6.496 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -19.305 -1.572 -6.791 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.334 1.653 -7.779 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -20.830 -0.022 -7.515 1.00 2.86 H new ATOM 355 N ARG A 25 -13.904 5.081 -3.367 1.00 0.23 N ATOM 356 CA ARG A 25 -12.530 5.568 -3.420 1.00 0.26 C ATOM 357 C ARG A 25 -11.802 5.394 -2.091 1.00 0.24 C ATOM 358 O ARG A 25 -12.061 6.113 -1.121 1.00 0.24 O ATOM 359 CB ARG A 25 -12.499 7.034 -3.841 1.00 0.32 C ATOM 360 CG ARG A 25 -11.342 7.370 -4.764 1.00 0.51 C ATOM 361 CD ARG A 25 -11.738 8.392 -5.813 1.00 0.80 C ATOM 362 NE ARG A 25 -11.286 8.006 -7.148 1.00 1.32 N ATOM 363 CZ ARG A 25 -11.622 8.648 -8.263 1.00 1.71 C ATOM 364 NH1 ARG A 25 -12.394 9.726 -8.207 1.00 2.14 N ATOM 365 NH2 ARG A 25 -11.173 8.224 -9.437 1.00 2.31 N ATOM 0 H ARG A 25 -14.589 5.774 -3.065 1.00 0.23 H new ATOM 0 HA ARG A 25 -12.008 4.965 -4.163 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.436 7.281 -4.340 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.437 7.659 -2.950 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.509 7.756 -4.177 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.993 6.462 -5.255 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.822 8.508 -5.816 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -11.315 9.362 -5.553 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.675 7.194 -7.230 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -12.732 10.065 -7.306 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -12.649 10.216 -9.065 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -10.569 7.404 -9.486 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -11.432 8.718 -10.291 1.00 2.31 H new ATOM 379 N LEU A 26 -10.842 4.482 -2.084 1.00 0.29 N ATOM 380 CA LEU A 26 -9.995 4.245 -0.926 1.00 0.35 C ATOM 381 C LEU A 26 -8.615 4.843 -1.168 1.00 0.39 C ATOM 382 O LEU A 26 -7.891 4.393 -2.051 1.00 0.44 O ATOM 383 CB LEU A 26 -9.865 2.739 -0.675 1.00 0.44 C ATOM 384 CG LEU A 26 -10.451 2.221 0.644 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.824 0.886 1.017 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.247 3.226 1.763 1.00 0.43 C ATOM 0 H LEU A 26 -10.628 3.885 -2.883 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.446 4.717 -0.053 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -10.350 2.211 -1.496 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.808 2.476 -0.707 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.523 2.080 0.503 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.251 0.533 1.956 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.024 0.158 0.231 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.747 1.009 1.132 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -10.672 2.833 2.687 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.181 3.405 1.901 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.742 4.163 1.506 1.00 0.43 H new ATOM 398 N GLU A 27 -8.258 5.866 -0.409 1.00 0.41 N ATOM 399 CA GLU A 27 -6.965 6.511 -0.578 1.00 0.47 C ATOM 400 C GLU A 27 -5.959 5.979 0.434 1.00 0.41 C ATOM 401 O GLU A 27 -6.012 6.319 1.618 1.00 0.48 O ATOM 402 CB GLU A 27 -7.091 8.032 -0.440 1.00 0.51 C ATOM 403 CG GLU A 27 -5.771 8.768 -0.623 1.00 0.99 C ATOM 404 CD GLU A 27 -5.913 10.037 -1.435 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.055 9.945 -2.672 1.00 1.82 O ATOM 406 OE2 GLU A 27 -5.902 11.132 -0.842 1.00 1.63 O ATOM 0 H GLU A 27 -8.841 6.266 0.326 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.607 6.281 -1.582 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.807 8.398 -1.176 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -7.496 8.268 0.544 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.358 9.013 0.356 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.057 8.107 -1.113 1.00 0.99 H new ATOM 413 N VAL A 28 -5.000 5.210 -0.050 1.00 0.40 N ATOM 414 CA VAL A 28 -3.919 4.728 0.790 1.00 0.38 C ATOM 415 C VAL A 28 -2.753 5.699 0.713 1.00 0.35 C ATOM 416 O VAL A 28 -2.263 6.008 -0.373 1.00 0.42 O ATOM 417 CB VAL A 28 -3.432 3.320 0.379 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.283 2.433 1.602 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.370 2.678 -0.632 1.00 0.68 C ATOM 0 H VAL A 28 -4.948 4.906 -1.022 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.303 4.660 1.808 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.458 3.431 -0.097 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.939 1.445 1.295 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.557 2.874 2.285 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.246 2.342 2.105 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -3.996 1.689 -0.898 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.365 2.585 -0.197 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.422 3.299 -1.526 1.00 0.68 H new ATOM 429 N THR A 29 -2.337 6.208 1.855 1.00 0.31 N ATOM 430 CA THR A 29 -1.252 7.171 1.901 1.00 0.30 C ATOM 431 C THR A 29 -0.170 6.695 2.859 1.00 0.28 C ATOM 432 O THR A 29 -0.483 6.145 3.915 1.00 0.31 O ATOM 433 CB THR A 29 -1.767 8.556 2.337 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.012 8.420 3.044 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.966 9.463 1.133 1.00 0.59 C ATOM 0 H THR A 29 -2.733 5.972 2.765 1.00 0.31 H new ATOM 0 HA THR A 29 -0.831 7.259 0.900 1.00 0.30 H new ATOM 0 HB THR A 29 -1.021 9.003 2.994 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.741 8.294 2.401 1.00 0.69 H new ATOM 0 HG21 THR A 29 -2.330 10.435 1.466 1.00 0.59 H new ATOM 0 HG22 THR A 29 -1.017 9.590 0.612 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.694 9.015 0.457 1.00 0.59 H new ATOM 443 N TRP A 30 1.087 6.800 2.449 1.00 0.27 N ATOM 444 CA TRP A 30 2.191 6.282 3.249 1.00 0.28 C ATOM 445 C TRP A 30 3.471 7.075 3.018 1.00 0.27 C ATOM 446 O TRP A 30 3.510 7.989 2.194 1.00 0.33 O ATOM 447 CB TRP A 30 2.437 4.804 2.921 1.00 0.29 C ATOM 448 CG TRP A 30 2.721 4.547 1.470 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.933 4.612 0.846 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.774 4.184 0.461 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.791 4.324 -0.488 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.478 4.053 -0.746 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.396 3.961 0.464 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.854 3.708 -1.940 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.222 3.619 -0.721 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.506 3.494 -1.908 1.00 0.46 C ATOM 0 H TRP A 30 1.368 7.237 1.571 1.00 0.27 H new ATOM 0 HA TRP A 30 1.911 6.383 4.298 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.277 4.444 3.516 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.563 4.225 3.219 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.867 4.855 1.331 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.544 4.314 -1.176 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.175 4.054 1.376 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.415 3.613 -2.858 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.288 3.445 -0.732 1.00 0.49 H new ATOM 0 HH2 TRP A 30 -0.008 3.223 -2.818 1.00 0.46 H new ATOM 467 N GLN A 31 4.521 6.663 3.711 1.00 0.28 N ATOM 468 CA GLN A 31 5.845 7.244 3.565 1.00 0.29 C ATOM 469 C GLN A 31 6.886 6.148 3.761 1.00 0.29 C ATOM 470 O GLN A 31 6.534 5.005 4.063 1.00 0.29 O ATOM 471 CB GLN A 31 6.057 8.360 4.596 1.00 0.32 C ATOM 472 CG GLN A 31 6.330 9.726 3.985 1.00 0.64 C ATOM 473 CD GLN A 31 7.139 9.648 2.707 1.00 0.85 C ATOM 474 OE1 GLN A 31 8.302 9.241 2.717 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.533 10.039 1.603 1.00 0.79 N ATOM 0 H GLN A 31 4.477 5.909 4.397 1.00 0.28 H new ATOM 0 HA GLN A 31 5.944 7.676 2.569 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.173 8.427 5.230 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.892 8.089 5.242 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.382 10.223 3.779 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.862 10.343 4.709 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.569 10.369 1.640 1.00 0.79 H new ATOM 0 HE22 GLN A 31 7.029 10.011 0.712 1.00 0.79 H new ATOM 484 N THR A 32 8.158 6.496 3.655 1.00 0.34 N ATOM 485 CA THR A 32 9.220 5.533 3.895 1.00 0.36 C ATOM 486 C THR A 32 9.306 5.202 5.382 1.00 0.41 C ATOM 487 O THR A 32 8.838 5.972 6.226 1.00 0.49 O ATOM 488 CB THR A 32 10.585 6.062 3.415 1.00 0.42 C ATOM 489 OG1 THR A 32 10.748 7.423 3.833 1.00 0.49 O ATOM 490 CG2 THR A 32 10.698 5.978 1.901 1.00 0.49 C ATOM 0 H THR A 32 8.479 7.432 3.406 1.00 0.34 H new ATOM 0 HA THR A 32 8.979 4.634 3.328 1.00 0.36 H new ATOM 0 HB THR A 32 11.368 5.444 3.855 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.617 7.757 3.528 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.670 6.357 1.587 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.594 4.940 1.585 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.910 6.577 1.444 1.00 0.49 H new ATOM 498 N PRO A 33 9.891 4.049 5.727 1.00 0.39 N ATOM 499 CA PRO A 33 10.050 3.623 7.122 1.00 0.46 C ATOM 500 C PRO A 33 10.895 4.601 7.934 1.00 0.56 C ATOM 501 O PRO A 33 11.723 5.328 7.383 1.00 0.60 O ATOM 502 CB PRO A 33 10.780 2.280 7.005 1.00 0.46 C ATOM 503 CG PRO A 33 11.400 2.295 5.652 1.00 0.42 C ATOM 504 CD PRO A 33 10.449 3.064 4.790 1.00 0.35 C ATOM 0 HA PRO A 33 9.091 3.566 7.637 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.535 2.172 7.784 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.089 1.444 7.113 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.381 2.769 5.674 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.543 1.283 5.274 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.957 3.543 3.953 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.675 2.423 4.368 1.00 0.35 H new ATOM 512 N SER A 34 10.743 4.558 9.249 1.00 0.66 N ATOM 513 CA SER A 34 11.545 5.390 10.136 1.00 0.80 C ATOM 514 C SER A 34 12.999 4.922 10.131 1.00 0.86 C ATOM 515 O SER A 34 13.907 5.676 10.472 1.00 0.96 O ATOM 516 CB SER A 34 10.978 5.353 11.555 1.00 0.92 C ATOM 517 OG SER A 34 9.564 5.470 11.543 1.00 1.02 O ATOM 0 H SER A 34 10.072 3.956 9.726 1.00 0.66 H new ATOM 0 HA SER A 34 11.510 6.418 9.776 1.00 0.80 H new ATOM 0 HB2 SER A 34 11.265 4.420 12.040 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.408 6.164 12.143 1.00 0.92 H new ATOM 0 HG SER A 34 9.165 4.593 11.362 1.00 1.02 H new ATOM 523 N THR A 35 13.211 3.686 9.697 1.00 0.82 N ATOM 524 CA THR A 35 14.546 3.122 9.608 1.00 0.91 C ATOM 525 C THR A 35 15.209 3.467 8.268 1.00 0.92 C ATOM 526 O THR A 35 16.341 3.063 8.003 1.00 1.11 O ATOM 527 CB THR A 35 14.500 1.594 9.787 1.00 0.89 C ATOM 528 OG1 THR A 35 13.197 1.200 10.250 1.00 0.85 O ATOM 529 CG2 THR A 35 15.556 1.128 10.777 1.00 1.08 C ATOM 0 H THR A 35 12.468 3.054 9.400 1.00 0.82 H new ATOM 0 HA THR A 35 15.142 3.559 10.409 1.00 0.91 H new ATOM 0 HB THR A 35 14.705 1.130 8.822 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.161 0.224 10.334 1.00 0.85 H new ATOM 0 HG21 THR A 35 15.501 0.045 10.884 1.00 1.08 H new ATOM 0 HG22 THR A 35 16.545 1.407 10.413 1.00 1.08 H new ATOM 0 HG23 THR A 35 15.380 1.598 11.745 1.00 1.08 H new ATOM 537 N TRP A 36 14.512 4.237 7.437 1.00 0.80 N ATOM 538 CA TRP A 36 15.055 4.660 6.152 1.00 0.83 C ATOM 539 C TRP A 36 15.520 6.112 6.210 1.00 1.00 C ATOM 540 O TRP A 36 14.730 7.007 6.504 1.00 1.09 O ATOM 541 CB TRP A 36 14.005 4.502 5.050 1.00 0.74 C ATOM 542 CG TRP A 36 14.592 4.168 3.717 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.387 4.826 2.537 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.488 3.092 3.426 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.103 4.223 1.532 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.785 3.155 2.054 1.00 0.98 C ATOM 547 CE3 TRP A 36 16.066 2.081 4.196 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.636 2.247 1.436 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.910 1.180 3.581 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.187 1.268 2.213 1.00 1.21 C ATOM 0 H TRP A 36 13.571 4.580 7.631 1.00 0.80 H new ATOM 0 HA TRP A 36 15.912 4.026 5.925 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.303 3.719 5.336 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.434 5.427 4.966 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.755 5.693 2.413 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.124 4.521 0.557 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.856 2.006 5.253 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.854 2.313 0.380 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.364 0.394 4.165 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.851 0.546 1.761 1.00 1.21 H new ATOM 561 N PRO A 37 16.809 6.365 5.940 1.00 1.20 N ATOM 562 CA PRO A 37 17.363 7.720 5.946 1.00 1.44 C ATOM 563 C PRO A 37 16.922 8.524 4.715 1.00 1.34 C ATOM 564 O PRO A 37 15.778 8.980 4.640 1.00 1.49 O ATOM 565 CB PRO A 37 18.877 7.487 5.949 1.00 1.76 C ATOM 566 CG PRO A 37 19.068 6.146 5.326 1.00 1.78 C ATOM 567 CD PRO A 37 17.827 5.346 5.622 1.00 1.34 C ATOM 0 HA PRO A 37 17.021 8.307 6.798 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.396 8.261 5.384 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.277 7.511 6.963 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.221 6.238 4.251 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.951 5.653 5.733 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.530 4.740 4.766 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.983 4.664 6.458 1.00 1.34 H new ATOM 575 N ASP A 38 17.804 8.655 3.731 1.00 1.33 N ATOM 576 CA ASP A 38 17.462 9.346 2.494 1.00 1.35 C ATOM 577 C ASP A 38 16.906 8.357 1.470 1.00 1.29 C ATOM 578 O ASP A 38 17.458 7.271 1.276 1.00 1.42 O ATOM 579 CB ASP A 38 18.680 10.105 1.940 1.00 1.65 C ATOM 580 CG ASP A 38 19.154 9.604 0.586 1.00 1.90 C ATOM 581 OD1 ASP A 38 18.489 9.886 -0.434 1.00 2.28 O ATOM 582 OD2 ASP A 38 20.217 8.948 0.532 1.00 2.16 O ATOM 0 H ASP A 38 18.757 8.294 3.765 1.00 1.33 H new ATOM 0 HA ASP A 38 16.686 10.081 2.707 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.430 11.163 1.858 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.500 10.026 2.653 1.00 1.65 H new ATOM 587 N PRO A 39 15.728 8.661 0.908 1.00 1.31 N ATOM 588 CA PRO A 39 15.025 7.771 0.002 1.00 1.44 C ATOM 589 C PRO A 39 15.196 8.168 -1.463 1.00 1.61 C ATOM 590 O PRO A 39 14.417 7.756 -2.321 1.00 1.84 O ATOM 591 CB PRO A 39 13.570 7.954 0.439 1.00 1.62 C ATOM 592 CG PRO A 39 13.493 9.332 1.037 1.00 1.69 C ATOM 593 CD PRO A 39 14.906 9.832 1.230 1.00 1.44 C ATOM 0 HA PRO A 39 15.391 6.746 0.053 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.892 7.857 -0.409 1.00 1.62 H new ATOM 0 HB3 PRO A 39 13.282 7.195 1.166 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.937 10.002 0.382 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.964 9.306 1.989 1.00 1.69 H new ATOM 0 HD2 PRO A 39 15.128 10.672 0.572 1.00 1.44 H new ATOM 0 HD3 PRO A 39 15.075 10.173 2.251 1.00 1.44 H new ATOM 601 N GLU A 40 16.205 8.979 -1.741 1.00 1.57 N ATOM 602 CA GLU A 40 16.460 9.441 -3.098 1.00 1.76 C ATOM 603 C GLU A 40 17.595 8.645 -3.722 1.00 1.76 C ATOM 604 O GLU A 40 17.480 8.156 -4.847 1.00 1.90 O ATOM 605 CB GLU A 40 16.791 10.929 -3.099 1.00 1.90 C ATOM 606 CG GLU A 40 15.818 11.760 -2.282 1.00 2.12 C ATOM 607 CD GLU A 40 15.840 13.220 -2.662 1.00 2.36 C ATOM 608 OE1 GLU A 40 16.009 13.520 -3.864 1.00 2.91 O ATOM 609 OE2 GLU A 40 15.694 14.074 -1.763 1.00 2.63 O ATOM 0 H GLU A 40 16.862 9.332 -1.045 1.00 1.57 H new ATOM 0 HA GLU A 40 15.560 9.287 -3.693 1.00 1.76 H new ATOM 0 HB2 GLU A 40 17.798 11.071 -2.706 1.00 1.90 H new ATOM 0 HB3 GLU A 40 16.795 11.293 -4.127 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.810 11.369 -2.417 1.00 2.12 H new ATOM 0 HG3 GLU A 40 16.060 11.660 -1.224 1.00 2.12 H new ATOM 616 N SER A 41 18.656 8.440 -2.951 1.00 1.67 N ATOM 617 CA SER A 41 19.758 7.600 -3.392 1.00 1.75 C ATOM 618 C SER A 41 19.317 6.142 -3.405 1.00 1.63 C ATOM 619 O SER A 41 19.763 5.352 -4.241 1.00 1.67 O ATOM 620 CB SER A 41 20.972 7.784 -2.481 1.00 1.82 C ATOM 621 OG SER A 41 21.039 9.114 -1.993 1.00 1.89 O ATOM 0 H SER A 41 18.775 8.843 -2.021 1.00 1.67 H new ATOM 0 HA SER A 41 20.045 7.894 -4.402 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.913 7.088 -1.645 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.883 7.547 -3.030 1.00 1.82 H new ATOM 0 HG SER A 41 21.030 9.104 -1.013 1.00 1.89 H new ATOM 627 N PHE A 42 18.345 5.836 -2.555 1.00 1.51 N ATOM 628 CA PHE A 42 17.730 4.516 -2.519 1.00 1.41 C ATOM 629 C PHE A 42 16.210 4.654 -2.580 1.00 1.27 C ATOM 630 O PHE A 42 15.540 4.729 -1.544 1.00 1.40 O ATOM 631 CB PHE A 42 18.136 3.765 -1.247 1.00 1.58 C ATOM 632 CG PHE A 42 19.617 3.599 -1.088 1.00 2.08 C ATOM 633 CD1 PHE A 42 20.315 2.717 -1.895 1.00 2.54 C ATOM 634 CD2 PHE A 42 20.310 4.322 -0.132 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.677 2.559 -1.752 1.00 3.12 C ATOM 636 CE2 PHE A 42 21.673 4.169 0.017 1.00 3.01 C ATOM 637 CZ PHE A 42 22.358 3.294 -0.791 1.00 3.32 C ATOM 0 H PHE A 42 17.963 6.492 -1.874 1.00 1.51 H new ATOM 0 HA PHE A 42 18.077 3.946 -3.381 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.745 4.299 -0.381 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.668 2.781 -1.253 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.787 2.147 -2.645 1.00 2.54 H new ATOM 0 HD2 PHE A 42 19.778 5.014 0.504 1.00 2.38 H new ATOM 0 HE1 PHE A 42 22.212 1.866 -2.385 1.00 3.12 H new ATOM 0 HE2 PHE A 42 22.201 4.737 0.769 1.00 3.01 H new ATOM 0 HZ PHE A 42 23.426 3.178 -0.679 1.00 3.32 H new ATOM 647 N PRO A 43 15.655 4.774 -3.800 1.00 1.24 N ATOM 648 CA PRO A 43 14.216 4.943 -4.007 1.00 1.33 C ATOM 649 C PRO A 43 13.451 3.684 -3.640 1.00 1.26 C ATOM 650 O PRO A 43 13.924 2.573 -3.870 1.00 1.97 O ATOM 651 CB PRO A 43 14.085 5.227 -5.510 1.00 1.58 C ATOM 652 CG PRO A 43 15.468 5.532 -5.975 1.00 1.75 C ATOM 653 CD PRO A 43 16.384 4.762 -5.073 1.00 1.40 C ATOM 0 HA PRO A 43 13.804 5.737 -3.384 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.673 4.367 -6.038 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.414 6.066 -5.695 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.604 5.236 -7.015 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.672 6.601 -5.918 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.553 3.748 -5.435 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.362 5.236 -4.986 1.00 1.40 H new ATOM 661 N LEU A 44 12.305 3.851 -3.007 1.00 0.98 N ATOM 662 CA LEU A 44 11.549 2.711 -2.532 1.00 0.82 C ATOM 663 C LEU A 44 10.374 2.391 -3.438 1.00 0.78 C ATOM 664 O LEU A 44 9.414 3.156 -3.531 1.00 0.98 O ATOM 665 CB LEU A 44 11.061 2.948 -1.104 1.00 0.83 C ATOM 666 CG LEU A 44 11.682 2.022 -0.062 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.197 2.024 -0.189 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.261 2.435 1.339 1.00 1.29 C ATOM 0 H LEU A 44 11.881 4.758 -2.812 1.00 0.98 H new ATOM 0 HA LEU A 44 12.220 1.852 -2.544 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.274 3.981 -0.827 1.00 0.83 H new ATOM 0 HB3 LEU A 44 9.978 2.828 -1.079 1.00 0.83 H new ATOM 0 HG LEU A 44 11.322 1.009 -0.241 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.626 1.359 0.561 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.479 1.679 -1.184 1.00 1.54 H new ATOM 0 HD13 LEU A 44 13.574 3.035 -0.035 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.714 1.763 2.068 1.00 1.29 H new ATOM 0 HD22 LEU A 44 11.591 3.456 1.532 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.175 2.383 1.423 1.00 1.29 H new ATOM 680 N LYS A 45 10.409 1.193 -3.997 1.00 0.70 N ATOM 681 CA LYS A 45 9.291 0.671 -4.756 1.00 0.68 C ATOM 682 C LYS A 45 8.302 0.030 -3.797 1.00 0.60 C ATOM 683 O LYS A 45 8.640 -0.921 -3.090 1.00 0.76 O ATOM 684 CB LYS A 45 9.773 -0.356 -5.784 1.00 0.78 C ATOM 685 CG LYS A 45 9.127 -0.201 -7.152 1.00 1.13 C ATOM 686 CD LYS A 45 10.034 -0.713 -8.259 1.00 1.25 C ATOM 687 CE LYS A 45 10.486 0.414 -9.173 1.00 1.41 C ATOM 688 NZ LYS A 45 11.021 -0.095 -10.463 1.00 1.75 N ATOM 0 H LYS A 45 11.208 0.561 -3.937 1.00 0.70 H new ATOM 0 HA LYS A 45 8.806 1.486 -5.294 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.854 -0.270 -5.891 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.569 -1.358 -5.407 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.183 -0.745 -7.173 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.894 0.849 -7.328 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.905 -1.200 -7.821 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.507 -1.468 -8.843 1.00 1.25 H new ATOM 0 HE2 LYS A 45 9.647 1.082 -9.367 1.00 1.41 H new ATOM 0 HE3 LYS A 45 11.253 1.003 -8.670 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 10.672 0.499 -11.242 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 12.060 -0.066 -10.443 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 10.705 -1.075 -10.607 1.00 1.75 H new ATOM 702 N PHE A 46 7.127 0.620 -3.691 1.00 0.46 N ATOM 703 CA PHE A 46 6.127 0.155 -2.748 1.00 0.41 C ATOM 704 C PHE A 46 5.167 -0.807 -3.423 1.00 0.44 C ATOM 705 O PHE A 46 4.634 -0.522 -4.495 1.00 0.58 O ATOM 706 CB PHE A 46 5.364 1.339 -2.152 1.00 0.42 C ATOM 707 CG PHE A 46 6.197 2.178 -1.224 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.474 1.743 0.062 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.706 3.399 -1.639 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.241 2.510 0.917 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.474 4.171 -0.788 1.00 0.48 C ATOM 712 CZ PHE A 46 7.742 3.725 0.491 1.00 0.47 C ATOM 0 H PHE A 46 6.840 1.425 -4.248 1.00 0.46 H new ATOM 0 HA PHE A 46 6.634 -0.373 -1.940 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.991 1.966 -2.962 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.494 0.966 -1.611 1.00 0.42 H new ATOM 0 HD1 PHE A 46 6.086 0.793 0.400 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.500 3.751 -2.639 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.449 2.160 1.917 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.864 5.121 -1.123 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.343 4.326 1.158 1.00 0.47 H new ATOM 722 N PHE A 47 4.980 -1.963 -2.813 1.00 0.40 N ATOM 723 CA PHE A 47 4.107 -2.978 -3.370 1.00 0.44 C ATOM 724 C PHE A 47 2.817 -3.053 -2.574 1.00 0.39 C ATOM 725 O PHE A 47 2.835 -3.176 -1.351 1.00 0.59 O ATOM 726 CB PHE A 47 4.813 -4.331 -3.397 1.00 0.55 C ATOM 727 CG PHE A 47 6.094 -4.305 -4.176 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.076 -4.299 -5.561 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.314 -4.264 -3.525 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.252 -4.255 -6.282 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.494 -4.215 -4.240 1.00 0.75 C ATOM 732 CZ PHE A 47 8.464 -4.212 -5.621 1.00 0.73 C ATOM 0 H PHE A 47 5.422 -2.222 -1.931 1.00 0.40 H new ATOM 0 HA PHE A 47 3.860 -2.706 -4.396 1.00 0.44 H new ATOM 0 HB2 PHE A 47 5.022 -4.647 -2.375 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.145 -5.075 -3.831 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.131 -4.329 -6.083 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.344 -4.270 -2.445 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.225 -4.254 -7.362 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.440 -4.179 -3.720 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.386 -4.176 -6.182 1.00 0.73 H new ATOM 742 N LEU A 48 1.714 -2.822 -3.262 1.00 0.33 N ATOM 743 CA LEU A 48 0.419 -2.694 -2.621 1.00 0.35 C ATOM 744 C LEU A 48 -0.510 -3.841 -3.001 1.00 0.35 C ATOM 745 O LEU A 48 -0.778 -4.068 -4.182 1.00 0.57 O ATOM 746 CB LEU A 48 -0.216 -1.365 -3.037 1.00 0.44 C ATOM 747 CG LEU A 48 -1.286 -0.824 -2.093 1.00 0.72 C ATOM 748 CD1 LEU A 48 -0.696 0.243 -1.188 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.457 -0.265 -2.886 1.00 1.05 C ATOM 0 H LEU A 48 1.691 -2.718 -4.276 1.00 0.33 H new ATOM 0 HA LEU A 48 0.567 -2.725 -1.541 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.573 -0.619 -3.130 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.657 -1.487 -4.026 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.651 -1.642 -1.472 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.469 0.621 -0.519 1.00 1.02 H new ATOM 0 HD12 LEU A 48 0.115 -0.187 -0.599 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.309 1.062 -1.795 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.212 0.117 -2.199 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.108 0.544 -3.529 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.891 -1.055 -3.500 1.00 1.05 H new ATOM 761 N ARG A 49 -1.094 -4.476 -1.998 1.00 0.26 N ATOM 762 CA ARG A 49 -2.119 -5.481 -2.229 1.00 0.27 C ATOM 763 C ARG A 49 -3.313 -5.188 -1.347 1.00 0.24 C ATOM 764 O ARG A 49 -3.152 -4.874 -0.176 1.00 0.30 O ATOM 765 CB ARG A 49 -1.601 -6.894 -1.956 1.00 0.34 C ATOM 766 CG ARG A 49 -0.542 -6.981 -0.874 1.00 0.44 C ATOM 767 CD ARG A 49 -0.035 -8.405 -0.715 1.00 0.75 C ATOM 768 NE ARG A 49 0.005 -9.129 -1.987 1.00 1.07 N ATOM 769 CZ ARG A 49 0.445 -10.383 -2.109 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.877 -11.039 -1.038 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.427 -10.984 -3.295 1.00 2.02 N ATOM 0 H ARG A 49 -0.876 -4.313 -1.015 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.409 -5.437 -3.279 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.442 -7.527 -1.674 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.191 -7.301 -2.880 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.290 -6.321 -1.122 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.955 -6.631 0.072 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.964 -8.385 -0.280 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -0.677 -8.940 -0.015 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.321 -8.649 -2.826 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.872 -10.584 -0.125 1.00 1.64 H new ATOM 0 HH12 ARG A 49 1.214 -11.998 -1.129 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.076 -10.487 -4.114 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.764 -11.942 -3.386 1.00 2.02 H new ATOM 785 N TYR A 50 -4.500 -5.204 -1.927 1.00 0.26 N ATOM 786 CA TYR A 50 -5.698 -4.833 -1.196 1.00 0.27 C ATOM 787 C TYR A 50 -6.786 -5.887 -1.356 1.00 0.28 C ATOM 788 O TYR A 50 -7.483 -5.940 -2.369 1.00 0.36 O ATOM 789 CB TYR A 50 -6.196 -3.447 -1.640 1.00 0.35 C ATOM 790 CG TYR A 50 -6.151 -3.187 -3.138 1.00 0.49 C ATOM 791 CD1 TYR A 50 -4.950 -2.929 -3.791 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.319 -3.178 -3.894 1.00 0.60 C ATOM 793 CE1 TYR A 50 -4.915 -2.675 -5.147 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.290 -2.921 -5.253 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.085 -2.672 -5.873 1.00 0.90 C ATOM 796 OH TYR A 50 -6.046 -2.411 -7.226 1.00 1.13 O ATOM 0 H TYR A 50 -4.660 -5.469 -2.899 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.447 -4.778 -0.137 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.223 -3.322 -1.297 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.598 -2.687 -1.138 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.029 -2.927 -3.227 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.265 -3.375 -3.411 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -3.973 -2.479 -5.637 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.206 -2.916 -5.825 1.00 0.79 H new ATOM 0 HH TYR A 50 -6.954 -2.447 -7.592 1.00 1.13 H new ATOM 806 N ARG A 51 -6.871 -6.765 -0.370 1.00 0.29 N ATOM 807 CA ARG A 51 -7.846 -7.846 -0.367 1.00 0.34 C ATOM 808 C ARG A 51 -9.120 -7.429 0.360 1.00 0.29 C ATOM 809 O ARG A 51 -9.088 -7.122 1.550 1.00 0.33 O ATOM 810 CB ARG A 51 -7.237 -9.084 0.296 1.00 0.46 C ATOM 811 CG ARG A 51 -8.234 -10.194 0.595 1.00 0.64 C ATOM 812 CD ARG A 51 -8.150 -10.640 2.046 1.00 1.25 C ATOM 813 NE ARG A 51 -6.965 -11.459 2.302 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.399 -11.603 3.500 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.917 -10.999 4.562 1.00 2.62 N ATOM 816 NH2 ARG A 51 -5.322 -12.364 3.641 1.00 3.10 N ATOM 0 H ARG A 51 -6.266 -6.749 0.451 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.110 -8.081 -1.398 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.455 -9.480 -0.352 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -6.757 -8.783 1.227 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.244 -9.846 0.378 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.042 -11.044 -0.060 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.131 -9.764 2.694 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.045 -11.207 2.303 1.00 1.25 H new ATOM 0 HE ARG A 51 -6.545 -11.951 1.513 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.752 -10.421 4.464 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -6.480 -11.112 5.477 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -4.925 -12.841 2.831 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -4.891 -12.472 4.559 1.00 3.10 H new ATOM 830 N PRO A 52 -10.268 -7.461 -0.326 1.00 0.32 N ATOM 831 CA PRO A 52 -11.558 -7.200 0.309 1.00 0.38 C ATOM 832 C PRO A 52 -11.872 -8.262 1.361 1.00 0.44 C ATOM 833 O PRO A 52 -11.607 -9.452 1.146 1.00 0.51 O ATOM 834 CB PRO A 52 -12.556 -7.282 -0.849 1.00 0.52 C ATOM 835 CG PRO A 52 -11.874 -8.108 -1.884 1.00 0.65 C ATOM 836 CD PRO A 52 -10.410 -7.801 -1.752 1.00 0.45 C ATOM 0 HA PRO A 52 -11.584 -6.242 0.828 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.493 -7.740 -0.532 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.800 -6.291 -1.232 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.067 -9.169 -1.727 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.237 -7.862 -2.882 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.792 -8.656 -2.026 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.112 -6.973 -2.396 1.00 0.45 H new ATOM 844 N LEU A 53 -12.371 -7.827 2.513 1.00 0.50 N ATOM 845 CA LEU A 53 -12.657 -8.727 3.631 1.00 0.65 C ATOM 846 C LEU A 53 -13.859 -9.627 3.336 1.00 0.81 C ATOM 847 O LEU A 53 -14.843 -9.636 4.074 1.00 1.22 O ATOM 848 CB LEU A 53 -12.912 -7.915 4.904 1.00 0.70 C ATOM 849 CG LEU A 53 -11.809 -7.994 5.961 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.717 -6.972 5.676 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.391 -7.778 7.349 1.00 1.40 C ATOM 0 H LEU A 53 -12.588 -6.848 2.700 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.787 -9.368 3.775 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.053 -6.870 4.627 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.846 -8.255 5.351 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.365 -8.988 5.921 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.942 -7.045 6.439 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.281 -7.169 4.697 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.145 -5.970 5.688 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.594 -7.837 8.091 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.860 -6.795 7.398 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.136 -8.547 7.555 1.00 1.40 H new ATOM 863 N ILE A 54 -13.757 -10.394 2.260 1.00 0.85 N ATOM 864 CA ILE A 54 -14.806 -11.320 1.861 1.00 1.01 C ATOM 865 C ILE A 54 -14.200 -12.620 1.350 1.00 1.08 C ATOM 866 O ILE A 54 -14.768 -13.696 1.541 1.00 1.34 O ATOM 867 CB ILE A 54 -15.728 -10.735 0.768 1.00 1.16 C ATOM 868 CG1 ILE A 54 -14.993 -9.673 -0.053 1.00 1.12 C ATOM 869 CG2 ILE A 54 -16.988 -10.155 1.392 1.00 1.27 C ATOM 870 CD1 ILE A 54 -15.788 -9.157 -1.233 1.00 1.46 C ATOM 0 H ILE A 54 -12.947 -10.392 1.641 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.409 -11.506 2.749 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.016 -11.542 0.095 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -14.739 -8.835 0.597 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.054 -10.092 -0.414 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -17.627 -9.747 0.609 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.524 -10.940 1.926 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.717 -9.362 2.089 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -15.203 -8.408 -1.767 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.019 -9.983 -1.905 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -16.715 -8.707 -0.878 1.00 1.46 H new ATOM 882 N LEU A 55 -13.024 -12.527 0.735 1.00 0.95 N ATOM 883 CA LEU A 55 -12.349 -13.713 0.228 1.00 1.10 C ATOM 884 C LEU A 55 -10.841 -13.501 0.206 1.00 1.12 C ATOM 885 O LEU A 55 -10.346 -12.489 0.694 1.00 1.51 O ATOM 886 CB LEU A 55 -12.872 -14.075 -1.169 1.00 1.25 C ATOM 887 CG LEU A 55 -12.410 -13.161 -2.308 1.00 1.48 C ATOM 888 CD1 LEU A 55 -12.070 -13.982 -3.543 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.479 -12.127 -2.633 1.00 2.11 C ATOM 0 H LEU A 55 -12.525 -11.651 0.578 1.00 0.95 H new ATOM 0 HA LEU A 55 -12.565 -14.546 0.897 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -12.565 -15.095 -1.399 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -13.962 -14.069 -1.142 1.00 1.25 H new ATOM 0 HG LEU A 55 -11.512 -12.635 -1.984 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -11.744 -13.318 -4.343 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -11.270 -14.683 -3.305 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -12.952 -14.534 -3.867 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -13.132 -11.487 -3.444 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -14.395 -12.634 -2.937 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.677 -11.518 -1.751 1.00 2.11 H new ATOM 901 N ASP A 56 -10.115 -14.477 -0.317 1.00 1.38 N ATOM 902 CA ASP A 56 -8.662 -14.420 -0.356 1.00 1.54 C ATOM 903 C ASP A 56 -8.183 -14.180 -1.781 1.00 1.19 C ATOM 904 O ASP A 56 -7.902 -15.116 -2.531 1.00 1.44 O ATOM 905 CB ASP A 56 -8.066 -15.716 0.213 1.00 2.08 C ATOM 906 CG ASP A 56 -6.593 -15.904 -0.111 1.00 2.58 C ATOM 907 OD1 ASP A 56 -5.822 -14.932 0.033 1.00 2.90 O ATOM 908 OD2 ASP A 56 -6.196 -17.015 -0.513 1.00 2.89 O ATOM 0 H ASP A 56 -10.512 -15.324 -0.723 1.00 1.38 H new ATOM 0 HA ASP A 56 -8.323 -13.588 0.262 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -8.194 -15.720 1.295 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -8.626 -16.565 -0.178 1.00 2.08 H new ATOM 913 N GLN A 57 -8.130 -12.916 -2.153 1.00 0.83 N ATOM 914 CA GLN A 57 -7.668 -12.517 -3.474 1.00 0.93 C ATOM 915 C GLN A 57 -6.705 -11.342 -3.355 1.00 0.79 C ATOM 916 O GLN A 57 -7.083 -10.253 -2.921 1.00 0.82 O ATOM 917 CB GLN A 57 -8.850 -12.162 -4.382 1.00 1.30 C ATOM 918 CG GLN A 57 -9.810 -11.144 -3.787 1.00 1.81 C ATOM 919 CD GLN A 57 -10.040 -9.958 -4.701 1.00 2.19 C ATOM 920 OE1 GLN A 57 -9.098 -9.283 -5.117 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.294 -9.702 -5.030 1.00 2.43 N ATOM 0 H GLN A 57 -8.404 -12.138 -1.553 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.141 -13.357 -3.927 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -8.465 -11.774 -5.325 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.402 -13.073 -4.614 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -10.764 -11.628 -3.579 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.416 -10.792 -2.833 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -12.047 -10.285 -4.664 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.509 -8.921 -5.650 1.00 2.43 H new ATOM 930 N TRP A 58 -5.433 -11.614 -3.583 1.00 0.73 N ATOM 931 CA TRP A 58 -4.402 -10.625 -3.389 1.00 0.63 C ATOM 932 C TRP A 58 -4.169 -9.811 -4.650 1.00 0.67 C ATOM 933 O TRP A 58 -4.460 -10.257 -5.759 1.00 0.76 O ATOM 934 CB TRP A 58 -3.110 -11.305 -2.949 1.00 0.71 C ATOM 935 CG TRP A 58 -2.910 -11.270 -1.468 1.00 0.70 C ATOM 936 CD1 TRP A 58 -2.384 -12.254 -0.687 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.233 -10.188 -0.589 1.00 0.57 C ATOM 938 NE1 TRP A 58 -2.353 -11.846 0.623 1.00 0.84 N ATOM 939 CE2 TRP A 58 -2.868 -10.579 0.709 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.791 -8.922 -0.779 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.044 -9.747 1.812 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -3.963 -8.100 0.313 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.590 -8.511 1.591 1.00 0.49 C ATOM 0 H TRP A 58 -5.093 -12.520 -3.905 1.00 0.73 H new ATOM 0 HA TRP A 58 -4.731 -9.938 -2.609 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.118 -12.342 -3.285 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.265 -10.819 -3.436 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.042 -13.214 -1.046 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.003 -12.397 1.407 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.083 -8.593 -1.765 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -2.760 -10.065 2.804 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.395 -7.120 0.176 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.735 -7.840 2.425 1.00 0.49 H new ATOM 954 N GLN A 59 -3.635 -8.620 -4.467 1.00 0.70 N ATOM 955 CA GLN A 59 -3.351 -7.722 -5.571 1.00 0.79 C ATOM 956 C GLN A 59 -1.858 -7.419 -5.614 1.00 0.95 C ATOM 957 O GLN A 59 -1.119 -7.822 -4.713 1.00 1.64 O ATOM 958 CB GLN A 59 -4.157 -6.437 -5.394 1.00 1.06 C ATOM 959 CG GLN A 59 -5.219 -6.224 -6.458 1.00 1.36 C ATOM 960 CD GLN A 59 -6.283 -7.303 -6.441 1.00 1.68 C ATOM 961 OE1 GLN A 59 -6.287 -8.196 -7.285 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.192 -7.231 -5.481 1.00 2.14 N ATOM 0 H GLN A 59 -3.386 -8.247 -3.551 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.635 -8.190 -6.513 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.636 -6.452 -4.415 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.474 -5.588 -5.402 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -5.689 -5.252 -6.308 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.746 -6.201 -7.440 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.154 -6.474 -4.799 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.930 -7.933 -5.424 1.00 2.14 H new ATOM 971 N HIS A 60 -1.404 -6.749 -6.659 1.00 0.80 N ATOM 972 CA HIS A 60 0.011 -6.442 -6.788 1.00 1.11 C ATOM 973 C HIS A 60 0.231 -5.129 -7.532 1.00 0.88 C ATOM 974 O HIS A 60 0.612 -5.121 -8.703 1.00 1.12 O ATOM 975 CB HIS A 60 0.741 -7.585 -7.500 1.00 1.75 C ATOM 976 CG HIS A 60 2.214 -7.655 -7.200 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.822 -8.767 -6.658 1.00 2.49 N ATOM 978 CD2 HIS A 60 3.204 -6.749 -7.390 1.00 2.11 C ATOM 979 CE1 HIS A 60 4.116 -8.543 -6.531 1.00 2.81 C ATOM 980 NE2 HIS A 60 4.380 -7.326 -6.971 1.00 2.58 N ATOM 0 H HIS A 60 -1.987 -6.410 -7.424 1.00 0.80 H new ATOM 0 HA HIS A 60 0.421 -6.330 -5.784 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.278 -8.530 -7.216 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.605 -7.474 -8.576 1.00 1.75 H new ATOM 0 HD2 HIS A 60 3.090 -5.755 -7.796 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.839 -9.239 -6.133 1.00 2.81 H new ATOM 0 HE2 HIS A 60 5.301 -6.888 -6.996 1.00 2.58 H new ATOM 989 N VAL A 61 0.109 -4.031 -6.809 1.00 0.60 N ATOM 990 CA VAL A 61 0.427 -2.720 -7.350 1.00 0.59 C ATOM 991 C VAL A 61 1.872 -2.373 -7.021 1.00 0.51 C ATOM 992 O VAL A 61 2.283 -2.452 -5.867 1.00 0.55 O ATOM 993 CB VAL A 61 -0.500 -1.625 -6.779 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.355 -0.332 -7.565 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.943 -2.093 -6.784 1.00 1.48 C ATOM 0 H VAL A 61 -0.210 -4.020 -5.840 1.00 0.60 H new ATOM 0 HA VAL A 61 0.280 -2.760 -8.429 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.204 -1.432 -5.748 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.017 0.425 -7.145 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.676 0.015 -7.507 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.620 -0.508 -8.607 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.581 -1.308 -6.378 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.249 -2.318 -7.806 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.037 -2.990 -6.172 1.00 1.48 H new ATOM 1005 N GLU A 62 2.654 -2.058 -8.037 1.00 0.81 N ATOM 1006 CA GLU A 62 4.064 -1.757 -7.843 1.00 1.05 C ATOM 1007 C GLU A 62 4.328 -0.279 -8.101 1.00 0.71 C ATOM 1008 O GLU A 62 4.442 0.150 -9.249 1.00 0.80 O ATOM 1009 CB GLU A 62 4.928 -2.617 -8.767 1.00 1.61 C ATOM 1010 CG GLU A 62 4.130 -3.610 -9.599 1.00 2.42 C ATOM 1011 CD GLU A 62 5.007 -4.443 -10.502 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.774 -3.863 -11.294 1.00 3.63 O ATOM 1013 OE2 GLU A 62 4.932 -5.688 -10.423 1.00 3.60 O ATOM 0 H GLU A 62 2.339 -2.003 -9.005 1.00 0.81 H new ATOM 0 HA GLU A 62 4.327 -1.986 -6.810 1.00 1.05 H new ATOM 0 HB2 GLU A 62 5.490 -1.965 -9.436 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.656 -3.162 -8.166 1.00 1.61 H new ATOM 0 HG2 GLU A 62 3.569 -4.268 -8.935 1.00 2.42 H new ATOM 0 HG3 GLU A 62 3.401 -3.070 -10.203 1.00 2.42 H new ATOM 1020 N LEU A 63 4.366 0.498 -7.032 1.00 0.61 N ATOM 1021 CA LEU A 63 4.568 1.936 -7.136 1.00 0.71 C ATOM 1022 C LEU A 63 6.051 2.273 -7.070 1.00 0.75 C ATOM 1023 O LEU A 63 6.697 2.058 -6.046 1.00 0.94 O ATOM 1024 CB LEU A 63 3.817 2.653 -6.012 1.00 0.97 C ATOM 1025 CG LEU A 63 2.314 2.375 -5.957 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.976 1.459 -4.791 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.539 3.677 -5.853 1.00 1.18 C ATOM 0 H LEU A 63 4.259 0.156 -6.077 1.00 0.61 H new ATOM 0 HA LEU A 63 4.178 2.273 -8.097 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.259 2.365 -5.059 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.969 3.727 -6.122 1.00 0.97 H new ATOM 0 HG LEU A 63 2.025 1.871 -6.879 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.902 1.275 -4.772 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.504 0.512 -4.907 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.280 1.932 -3.857 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.471 3.463 -5.815 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.836 4.206 -4.947 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.753 4.299 -6.722 1.00 1.18 H new ATOM 1039 N SER A 64 6.587 2.774 -8.175 1.00 0.78 N ATOM 1040 CA SER A 64 7.999 3.122 -8.262 1.00 0.89 C ATOM 1041 C SER A 64 8.351 4.254 -7.301 1.00 0.82 C ATOM 1042 O SER A 64 9.422 4.253 -6.693 1.00 1.57 O ATOM 1043 CB SER A 64 8.345 3.526 -9.695 1.00 1.13 C ATOM 1044 OG SER A 64 7.280 3.221 -10.584 1.00 1.36 O ATOM 0 H SER A 64 6.060 2.950 -9.030 1.00 0.78 H new ATOM 0 HA SER A 64 8.583 2.247 -7.979 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.560 4.594 -9.733 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.249 3.007 -10.014 1.00 1.13 H new ATOM 0 HG SER A 64 7.526 3.491 -11.494 1.00 1.36 H new ATOM 1050 N ASN A 65 7.463 5.235 -7.196 1.00 1.03 N ATOM 1051 CA ASN A 65 7.702 6.388 -6.338 1.00 0.94 C ATOM 1052 C ASN A 65 6.388 6.973 -5.843 1.00 0.82 C ATOM 1053 O ASN A 65 6.309 8.157 -5.506 1.00 1.16 O ATOM 1054 CB ASN A 65 8.499 7.453 -7.091 1.00 1.03 C ATOM 1055 CG ASN A 65 9.801 7.792 -6.397 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.170 8.960 -6.276 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.513 6.772 -5.939 1.00 1.97 N ATOM 0 H ASN A 65 6.573 5.255 -7.693 1.00 1.03 H new ATOM 0 HA ASN A 65 8.280 6.057 -5.475 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.709 7.101 -8.101 1.00 1.03 H new ATOM 0 HB3 ASN A 65 7.895 8.355 -7.187 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.401 6.941 -5.467 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.173 5.818 -6.059 1.00 1.97 H new ATOM 1064 N GLY A 66 5.357 6.142 -5.805 1.00 0.69 N ATOM 1065 CA GLY A 66 4.057 6.589 -5.350 1.00 0.66 C ATOM 1066 C GLY A 66 3.896 6.444 -3.853 1.00 0.61 C ATOM 1067 O GLY A 66 4.345 5.456 -3.268 1.00 0.87 O ATOM 0 H GLY A 66 5.398 5.161 -6.083 1.00 0.69 H new ATOM 0 HA2 GLY A 66 3.915 7.633 -5.630 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.280 6.015 -5.855 1.00 0.66 H new ATOM 1071 N THR A 67 3.272 7.433 -3.230 1.00 0.40 N ATOM 1072 CA THR A 67 3.063 7.420 -1.790 1.00 0.41 C ATOM 1073 C THR A 67 1.612 7.739 -1.443 1.00 0.36 C ATOM 1074 O THR A 67 1.201 7.644 -0.285 1.00 0.39 O ATOM 1075 CB THR A 67 3.991 8.430 -1.089 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.306 9.508 -1.984 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.272 7.749 -0.631 1.00 0.70 C ATOM 0 H THR A 67 2.900 8.258 -3.702 1.00 0.40 H new ATOM 0 HA THR A 67 3.299 6.416 -1.437 1.00 0.41 H new ATOM 0 HB THR A 67 3.475 8.827 -0.215 1.00 0.57 H new ATOM 0 HG1 THR A 67 4.895 10.147 -1.531 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.915 8.478 -0.138 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.029 6.948 0.068 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.791 7.332 -1.494 1.00 0.70 H new ATOM 1085 N ALA A 68 0.838 8.097 -2.459 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.569 8.418 -2.282 1.00 0.47 C ATOM 1087 C ALA A 68 -1.402 7.720 -3.349 1.00 0.47 C ATOM 1088 O ALA A 68 -1.791 8.326 -4.349 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.780 9.924 -2.338 1.00 0.59 C ATOM 0 H ALA A 68 1.166 8.172 -3.422 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.891 8.064 -1.303 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.838 10.148 -2.204 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.204 10.402 -1.545 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.449 10.302 -3.305 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.632 6.432 -3.152 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.395 5.642 -4.110 1.00 0.45 C ATOM 1097 C HIS A 69 -3.873 5.633 -3.755 1.00 0.40 C ATOM 1098 O HIS A 69 -4.270 5.099 -2.722 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.870 4.205 -4.183 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.392 3.432 -5.360 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.237 3.851 -6.663 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.072 2.262 -5.424 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.802 2.979 -7.477 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.314 2.004 -6.750 1.00 0.75 N ATOM 0 H HIS A 69 -1.303 5.910 -2.340 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.272 6.108 -5.088 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.781 4.227 -4.228 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.141 3.681 -3.266 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.368 1.647 -4.587 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.839 3.051 -8.554 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.809 1.190 -7.115 1.00 0.75 H new ATOM 1113 N THR A 70 -4.687 6.128 -4.662 1.00 0.41 N ATOM 1114 CA THR A 70 -6.124 6.087 -4.494 1.00 0.44 C ATOM 1115 C THR A 70 -6.717 4.963 -5.331 1.00 0.47 C ATOM 1116 O THR A 70 -6.398 4.822 -6.512 1.00 0.72 O ATOM 1117 CB THR A 70 -6.766 7.424 -4.900 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.801 8.479 -4.796 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.964 7.741 -4.020 1.00 0.84 C ATOM 0 H THR A 70 -4.376 6.566 -5.529 1.00 0.41 H new ATOM 0 HA THR A 70 -6.334 5.907 -3.440 1.00 0.44 H new ATOM 0 HB THR A 70 -7.107 7.339 -5.932 1.00 0.60 H new ATOM 0 HG1 THR A 70 -6.145 9.180 -4.204 1.00 0.94 H new ATOM 0 HG21 THR A 70 -8.400 8.691 -4.328 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.708 6.951 -4.120 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.644 7.808 -2.980 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.521 4.123 -4.698 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.128 2.997 -5.383 1.00 0.44 C ATOM 1129 C ILE A 71 -9.643 3.062 -5.281 1.00 0.34 C ATOM 1130 O ILE A 71 -10.216 2.820 -4.218 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.644 1.636 -4.830 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.682 1.823 -3.652 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.983 0.825 -5.934 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.751 0.706 -2.632 1.00 0.70 C ATOM 0 H ILE A 71 -7.767 4.201 -3.711 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.819 3.068 -6.426 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.515 1.091 -4.465 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.663 1.894 -4.033 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.904 2.769 -3.158 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.647 -0.131 -5.532 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.700 0.649 -6.736 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.128 1.375 -6.327 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -6.044 0.904 -1.827 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.760 0.649 -2.223 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.499 -0.240 -3.111 1.00 0.70 H new ATOM 1146 N THR A 72 -10.287 3.315 -6.407 1.00 0.37 N ATOM 1147 CA THR A 72 -11.742 3.344 -6.477 1.00 0.33 C ATOM 1148 C THR A 72 -12.294 1.929 -6.651 1.00 0.31 C ATOM 1149 O THR A 72 -13.393 1.725 -7.168 1.00 0.33 O ATOM 1150 CB THR A 72 -12.221 4.229 -7.645 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.137 5.042 -8.122 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.374 5.122 -7.216 1.00 1.22 C ATOM 0 H THR A 72 -9.822 3.505 -7.295 1.00 0.37 H new ATOM 0 HA THR A 72 -12.113 3.765 -5.543 1.00 0.33 H new ATOM 0 HB THR A 72 -12.568 3.574 -8.445 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.449 5.600 -8.865 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.692 5.735 -8.059 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.208 4.504 -6.882 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.050 5.767 -6.399 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.494 0.957 -6.243 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.856 -0.450 -6.351 1.00 0.40 C ATOM 1162 C ASP A 73 -12.460 -0.966 -5.054 1.00 0.39 C ATOM 1163 O ASP A 73 -12.710 -2.164 -4.914 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.622 -1.285 -6.703 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.894 -2.286 -7.805 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -10.772 -1.915 -8.992 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -11.211 -3.452 -7.494 1.00 1.31 O ATOM 0 H ASP A 73 -10.576 1.119 -5.828 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.601 -0.542 -7.141 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.814 -0.621 -7.011 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.279 -1.813 -5.813 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.470 -0.113 -4.042 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.760 -0.563 -2.690 1.00 0.33 C ATOM 1174 C ALA A 74 -14.241 -0.524 -2.359 1.00 0.35 C ATOM 1175 O ALA A 74 -14.979 0.343 -2.822 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.977 0.258 -1.693 1.00 0.36 C ATOM 0 H ALA A 74 -12.283 0.886 -4.129 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.454 -1.607 -2.629 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.200 -0.086 -0.683 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.910 0.146 -1.887 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.254 1.308 -1.788 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.644 -1.440 -1.497 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.016 -1.505 -1.024 1.00 0.52 C ATOM 1184 C TYR A 75 -16.176 -0.704 0.257 1.00 0.46 C ATOM 1185 O TYR A 75 -15.487 -0.953 1.238 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.428 -2.957 -0.773 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.579 -3.780 -2.030 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.390 -3.349 -3.069 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.912 -4.990 -2.173 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.531 -4.100 -4.217 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -16.049 -5.746 -3.319 1.00 2.26 C ATOM 1192 CZ TYR A 75 -16.860 -5.296 -4.338 1.00 2.21 C ATOM 1193 OH TYR A 75 -17.004 -6.045 -5.484 1.00 2.86 O ATOM 0 H TYR A 75 -14.033 -2.157 -1.106 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.660 -1.079 -1.794 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.685 -3.428 -0.130 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.373 -2.967 -0.229 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.919 -2.412 -2.978 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.276 -5.344 -1.375 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.166 -3.751 -5.018 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -15.524 -6.685 -3.417 1.00 2.26 H new ATOM 0 HH TYR A 75 -16.464 -6.860 -5.412 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.111 0.227 0.260 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.411 0.997 1.459 1.00 0.57 C ATOM 1205 C ALA A 76 -18.046 0.098 2.508 1.00 0.50 C ATOM 1206 O ALA A 76 -17.941 0.345 3.709 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.337 2.157 1.127 1.00 0.74 C ATOM 0 H ALA A 76 -17.677 0.471 -0.552 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.481 1.402 1.858 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.551 2.722 2.034 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.856 2.809 0.398 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.268 1.772 0.711 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.720 -0.940 2.033 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.395 -1.866 2.921 1.00 0.55 C ATOM 1215 C GLY A 77 -18.527 -3.044 3.329 1.00 0.48 C ATOM 1216 O GLY A 77 -18.953 -3.884 4.120 1.00 0.58 O ATOM 0 H GLY A 77 -18.812 -1.159 1.041 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.716 -1.333 3.816 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.295 -2.238 2.431 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.315 -3.113 2.797 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.407 -4.209 3.115 1.00 0.49 C ATOM 1222 C LYS A 78 -14.970 -3.718 3.146 1.00 0.43 C ATOM 1223 O LYS A 78 -14.443 -3.257 2.136 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.555 -5.342 2.097 1.00 0.70 C ATOM 1225 CG LYS A 78 -16.152 -6.706 2.633 1.00 0.98 C ATOM 1226 CD LYS A 78 -16.744 -6.966 4.010 1.00 1.62 C ATOM 1227 CE LYS A 78 -18.140 -7.557 3.916 1.00 1.93 C ATOM 1228 NZ LYS A 78 -18.552 -8.223 5.179 1.00 2.32 N ATOM 0 H LYS A 78 -16.937 -2.426 2.145 1.00 0.44 H new ATOM 0 HA LYS A 78 -16.666 -4.592 4.102 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.592 -5.385 1.764 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.948 -5.112 1.221 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.483 -7.481 1.942 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -15.065 -6.770 2.686 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -16.096 -7.647 4.562 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -16.780 -6.033 4.573 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -18.852 -6.768 3.674 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -18.174 -8.278 3.099 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -19.510 -8.612 5.070 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -17.889 -8.994 5.398 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -18.546 -7.530 5.955 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.359 -3.783 4.321 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.007 -3.285 4.513 1.00 0.43 C ATOM 1244 C GLU A 79 -12.021 -3.972 3.579 1.00 0.37 C ATOM 1245 O GLU A 79 -12.118 -5.172 3.320 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.572 -3.476 5.966 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.127 -2.420 6.908 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.155 -2.048 8.005 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -11.359 -2.913 8.420 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -12.188 -0.892 8.471 1.00 2.05 O ATOM 0 H GLU A 79 -14.783 -4.179 5.160 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.010 -2.221 4.276 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -12.893 -4.460 6.307 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -11.483 -3.460 6.016 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -13.383 -1.528 6.337 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.050 -2.787 7.356 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.076 -3.198 3.081 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.036 -3.713 2.213 1.00 0.38 C ATOM 1259 C TYR A 80 -8.724 -3.755 2.976 1.00 0.41 C ATOM 1260 O TYR A 80 -8.226 -2.715 3.410 1.00 0.55 O ATOM 1261 CB TYR A 80 -9.885 -2.817 0.979 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.642 -3.297 -0.237 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.006 -3.551 -0.180 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.992 -3.487 -1.446 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.696 -3.981 -1.297 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.673 -3.915 -2.567 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.024 -4.162 -2.488 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.704 -4.587 -3.604 1.00 0.85 O ATOM 0 H TYR A 80 -11.008 -2.197 3.266 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.306 -4.717 1.887 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.225 -1.812 1.231 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.827 -2.742 0.727 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.535 -3.410 0.751 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.931 -3.296 -1.512 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.757 -4.175 -1.238 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.149 -4.055 -3.501 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.802 -3.841 -4.231 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.171 -4.943 3.166 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.908 -5.062 3.873 1.00 0.33 C ATOM 1280 C ILE A 81 -5.749 -4.814 2.912 1.00 0.29 C ATOM 1281 O ILE A 81 -5.407 -5.655 2.076 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.751 -6.424 4.604 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.384 -6.512 5.282 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -6.953 -7.600 3.664 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.464 -6.858 6.752 1.00 1.11 C ATOM 0 H ILE A 81 -8.570 -5.825 2.846 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.897 -4.300 4.652 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.529 -6.477 5.365 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.781 -7.263 4.772 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.868 -5.559 5.168 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.834 -8.532 4.217 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -7.955 -7.556 3.237 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.215 -7.557 2.863 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.458 -6.904 7.170 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -6.040 -6.094 7.275 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.951 -7.825 6.872 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.251 -3.591 2.943 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.211 -3.159 2.032 1.00 0.30 C ATOM 1299 C ILE A 82 -2.843 -3.341 2.668 1.00 0.32 C ATOM 1300 O ILE A 82 -2.396 -2.513 3.461 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.397 -1.683 1.624 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.866 -1.396 1.308 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.522 -1.355 0.428 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.236 0.066 1.417 1.00 0.64 C ATOM 0 H ILE A 82 -5.556 -2.872 3.599 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.282 -3.776 1.136 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.096 -1.050 2.459 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.086 -1.743 0.298 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.494 -1.972 1.987 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.663 -0.310 0.150 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.476 -1.525 0.685 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.798 -1.994 -0.411 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.292 0.193 1.179 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.049 0.414 2.433 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.634 0.647 0.718 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.189 -4.437 2.326 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.869 -4.727 2.850 1.00 0.34 C ATOM 1318 C GLN A 83 0.204 -4.145 1.940 1.00 0.29 C ATOM 1319 O GLN A 83 0.113 -4.241 0.714 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.672 -6.233 3.016 1.00 0.44 C ATOM 1321 CG GLN A 83 0.474 -6.582 3.949 1.00 0.60 C ATOM 1322 CD GLN A 83 0.167 -7.762 4.848 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.568 -8.675 4.469 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.727 -7.750 6.048 1.00 0.64 N ATOM 0 H GLN A 83 -2.553 -5.142 1.685 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.780 -4.261 3.832 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.592 -6.674 3.399 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.487 -6.680 2.039 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.362 -6.804 3.357 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.711 -5.715 4.565 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.330 -6.974 6.322 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.556 -8.517 6.698 1.00 0.64 H new ATOM 1333 N VAL A 84 1.139 -3.428 2.543 1.00 0.28 N ATOM 1334 CA VAL A 84 2.159 -2.710 1.796 1.00 0.28 C ATOM 1335 C VAL A 84 3.553 -3.273 2.070 1.00 0.28 C ATOM 1336 O VAL A 84 3.970 -3.400 3.227 1.00 0.32 O ATOM 1337 CB VAL A 84 2.151 -1.205 2.145 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.975 -0.411 1.141 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.727 -0.672 2.210 1.00 0.51 C ATOM 0 H VAL A 84 1.212 -3.328 3.555 1.00 0.28 H new ATOM 0 HA VAL A 84 1.923 -2.839 0.740 1.00 0.28 H new ATOM 0 HB VAL A 84 2.605 -1.086 3.129 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.954 0.646 1.408 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.005 -0.768 1.152 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.557 -0.541 0.143 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.747 0.389 2.457 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.242 -0.811 1.244 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.171 -1.213 2.976 1.00 0.51 H new ATOM 1349 N ALA A 85 4.290 -3.534 0.997 1.00 0.31 N ATOM 1350 CA ALA A 85 5.674 -3.978 1.090 1.00 0.36 C ATOM 1351 C ALA A 85 6.589 -2.953 0.430 1.00 0.30 C ATOM 1352 O ALA A 85 6.109 -1.977 -0.147 1.00 0.37 O ATOM 1353 CB ALA A 85 5.845 -5.341 0.437 1.00 0.49 C ATOM 0 H ALA A 85 3.946 -3.444 0.041 1.00 0.31 H new ATOM 0 HA ALA A 85 5.944 -4.070 2.142 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.886 -5.655 0.517 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.207 -6.068 0.940 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.565 -5.278 -0.615 1.00 0.49 H new ATOM 1359 N ALA A 86 7.895 -3.170 0.507 1.00 0.35 N ATOM 1360 CA ALA A 86 8.849 -2.240 -0.081 1.00 0.45 C ATOM 1361 C ALA A 86 10.045 -2.967 -0.684 1.00 0.40 C ATOM 1362 O ALA A 86 10.273 -4.149 -0.414 1.00 0.55 O ATOM 1363 CB ALA A 86 9.319 -1.239 0.965 1.00 0.70 C ATOM 0 H ALA A 86 8.316 -3.977 0.968 1.00 0.35 H new ATOM 0 HA ALA A 86 8.341 -1.709 -0.886 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.032 -0.549 0.514 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.463 -0.680 1.344 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.799 -1.770 1.787 1.00 0.70 H new ATOM 1369 N LYS A 87 10.804 -2.237 -1.492 1.00 0.46 N ATOM 1370 CA LYS A 87 12.009 -2.752 -2.128 1.00 0.49 C ATOM 1371 C LYS A 87 12.789 -1.592 -2.735 1.00 0.61 C ATOM 1372 O LYS A 87 12.208 -0.730 -3.392 1.00 0.80 O ATOM 1373 CB LYS A 87 11.657 -3.778 -3.213 1.00 0.62 C ATOM 1374 CG LYS A 87 12.849 -4.244 -4.036 1.00 0.69 C ATOM 1375 CD LYS A 87 12.428 -4.672 -5.431 1.00 0.91 C ATOM 1376 CE LYS A 87 13.052 -3.786 -6.494 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.809 -4.573 -7.504 1.00 1.33 N ATOM 0 H LYS A 87 10.599 -1.265 -1.725 1.00 0.46 H new ATOM 0 HA LYS A 87 12.621 -3.253 -1.377 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.193 -4.645 -2.742 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.914 -3.343 -3.882 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.581 -3.439 -4.106 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.338 -5.077 -3.531 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.722 -5.708 -5.600 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.342 -4.632 -5.513 1.00 0.91 H new ATOM 0 HE2 LYS A 87 12.270 -3.213 -6.993 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.720 -3.067 -6.020 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 14.218 -3.929 -8.211 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 14.572 -5.100 -7.033 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.167 -5.241 -7.976 1.00 1.33 H new ATOM 1391 N ASP A 88 14.091 -1.547 -2.487 1.00 0.67 N ATOM 1392 CA ASP A 88 14.924 -0.470 -3.015 1.00 0.81 C ATOM 1393 C ASP A 88 15.099 -0.622 -4.522 1.00 0.90 C ATOM 1394 O ASP A 88 15.164 -1.738 -5.043 1.00 1.00 O ATOM 1395 CB ASP A 88 16.285 -0.449 -2.311 1.00 0.96 C ATOM 1396 CG ASP A 88 17.320 0.406 -3.027 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.976 1.506 -3.504 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.486 -0.027 -3.112 1.00 1.42 O ATOM 0 H ASP A 88 14.592 -2.237 -1.928 1.00 0.67 H new ATOM 0 HA ASP A 88 14.425 0.480 -2.822 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.155 -0.075 -1.295 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.660 -1.469 -2.230 1.00 0.96 H new ATOM 1403 N ASN A 89 15.105 0.501 -5.219 1.00 1.00 N ATOM 1404 CA ASN A 89 15.213 0.513 -6.670 1.00 1.17 C ATOM 1405 C ASN A 89 16.655 0.311 -7.111 1.00 1.27 C ATOM 1406 O ASN A 89 16.913 -0.187 -8.213 1.00 1.46 O ATOM 1407 CB ASN A 89 14.682 1.831 -7.231 1.00 1.30 C ATOM 1408 CG ASN A 89 13.868 1.636 -8.492 1.00 1.53 C ATOM 1409 OD1 ASN A 89 13.711 0.516 -8.984 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.342 2.726 -9.025 1.00 1.75 N ATOM 0 H ASN A 89 15.035 1.428 -4.798 1.00 1.00 H new ATOM 0 HA ASN A 89 14.613 -0.310 -7.058 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.067 2.322 -6.477 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.519 2.496 -7.442 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.782 2.659 -9.875 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.496 3.634 -8.586 1.00 1.75 H new ATOM 1417 N GLU A 90 17.591 0.651 -6.236 1.00 1.29 N ATOM 1418 CA GLU A 90 19.004 0.459 -6.518 1.00 1.46 C ATOM 1419 C GLU A 90 19.381 -1.008 -6.363 1.00 1.44 C ATOM 1420 O GLU A 90 19.637 -1.702 -7.348 1.00 1.57 O ATOM 1421 CB GLU A 90 19.859 1.324 -5.589 1.00 1.60 C ATOM 1422 CG GLU A 90 20.168 2.697 -6.154 1.00 1.82 C ATOM 1423 CD GLU A 90 20.650 2.638 -7.586 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.837 2.315 -7.807 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.846 2.914 -8.500 1.00 2.26 O ATOM 0 H GLU A 90 17.395 1.062 -5.323 1.00 1.29 H new ATOM 0 HA GLU A 90 19.193 0.763 -7.548 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.342 1.440 -4.636 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.795 0.806 -5.383 1.00 1.60 H new ATOM 0 HG2 GLU A 90 19.274 3.318 -6.100 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.928 3.178 -5.538 1.00 1.82 H new ATOM 1432 N ILE A 91 19.339 -1.492 -5.134 1.00 1.38 N ATOM 1433 CA ILE A 91 19.602 -2.889 -4.850 1.00 1.45 C ATOM 1434 C ILE A 91 18.288 -3.626 -4.638 1.00 1.48 C ATOM 1435 O ILE A 91 17.466 -3.220 -3.815 1.00 1.79 O ATOM 1436 CB ILE A 91 20.502 -3.054 -3.603 1.00 1.63 C ATOM 1437 CG1 ILE A 91 21.897 -2.489 -3.874 1.00 2.02 C ATOM 1438 CG2 ILE A 91 20.599 -4.517 -3.193 1.00 1.69 C ATOM 1439 CD1 ILE A 91 22.147 -1.146 -3.225 1.00 2.51 C ATOM 0 H ILE A 91 19.123 -0.930 -4.310 1.00 1.38 H new ATOM 0 HA ILE A 91 20.130 -3.313 -5.704 1.00 1.45 H new ATOM 0 HB ILE A 91 20.049 -2.497 -2.783 1.00 1.63 H new ATOM 0 HG12 ILE A 91 22.642 -3.199 -3.517 1.00 2.02 H new ATOM 0 HG13 ILE A 91 22.038 -2.394 -4.951 1.00 2.02 H new ATOM 0 HG21 ILE A 91 21.237 -4.607 -2.314 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.604 -4.896 -2.959 1.00 1.69 H new ATOM 0 HG23 ILE A 91 21.025 -5.097 -4.012 1.00 1.69 H new ATOM 0 HD11 ILE A 91 23.156 -0.810 -3.462 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.425 -0.420 -3.600 1.00 2.51 H new ATOM 0 HD13 ILE A 91 22.040 -1.239 -2.144 1.00 2.51 H new ATOM 1451 N GLY A 92 18.057 -4.649 -5.446 1.00 1.53 N ATOM 1452 CA GLY A 92 16.813 -5.388 -5.387 1.00 1.75 C ATOM 1453 C GLY A 92 16.695 -6.236 -4.139 1.00 1.30 C ATOM 1454 O GLY A 92 16.926 -7.445 -4.175 1.00 1.27 O ATOM 0 H GLY A 92 18.716 -4.984 -6.149 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.978 -4.689 -5.426 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.734 -6.029 -6.265 1.00 1.75 H new ATOM 1458 N THR A 93 16.322 -5.605 -3.043 1.00 1.16 N ATOM 1459 CA THR A 93 16.125 -6.305 -1.789 1.00 0.92 C ATOM 1460 C THR A 93 14.658 -6.222 -1.374 1.00 0.81 C ATOM 1461 O THR A 93 14.131 -5.137 -1.117 1.00 0.82 O ATOM 1462 CB THR A 93 17.042 -5.744 -0.675 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.634 -6.234 0.607 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.042 -4.220 -0.668 1.00 1.62 C ATOM 0 H THR A 93 16.148 -4.601 -2.996 1.00 1.16 H new ATOM 0 HA THR A 93 16.395 -7.351 -1.936 1.00 0.92 H new ATOM 0 HB THR A 93 18.056 -6.085 -0.883 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.411 -6.597 1.081 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.696 -3.860 0.126 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.401 -3.852 -1.629 1.00 1.62 H new ATOM 0 HG23 THR A 93 16.029 -3.857 -0.496 1.00 1.62 H new ATOM 1472 N TRP A 94 13.970 -7.350 -1.488 1.00 0.78 N ATOM 1473 CA TRP A 94 12.532 -7.408 -1.259 1.00 0.75 C ATOM 1474 C TRP A 94 12.208 -7.507 0.226 1.00 0.74 C ATOM 1475 O TRP A 94 12.517 -8.514 0.867 1.00 0.89 O ATOM 1476 CB TRP A 94 11.940 -8.622 -1.979 1.00 0.82 C ATOM 1477 CG TRP A 94 11.149 -8.283 -3.203 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.639 -8.009 -4.445 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.724 -8.201 -3.306 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.606 -7.762 -5.315 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.420 -7.876 -4.641 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.674 -8.375 -2.399 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 8.112 -7.720 -5.091 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.377 -8.219 -2.847 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.106 -7.897 -4.183 1.00 1.63 C ATOM 0 H TRP A 94 14.389 -8.245 -1.740 1.00 0.78 H new ATOM 0 HA TRP A 94 12.097 -6.488 -1.649 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.750 -9.295 -2.259 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.299 -9.165 -1.285 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.687 -7.989 -4.707 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.706 -7.531 -6.303 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.874 -8.627 -1.368 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.900 -7.468 -6.120 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.558 -8.347 -2.155 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.080 -7.786 -4.502 1.00 1.63 H new ATOM 1496 N SER A 95 11.474 -6.528 0.732 1.00 0.65 N ATOM 1497 CA SER A 95 10.974 -6.581 2.094 1.00 0.65 C ATOM 1498 C SER A 95 9.641 -7.324 2.118 1.00 0.63 C ATOM 1499 O SER A 95 8.973 -7.449 1.087 1.00 0.72 O ATOM 1500 CB SER A 95 10.808 -5.169 2.658 1.00 0.68 C ATOM 1501 OG SER A 95 11.906 -4.344 2.304 1.00 0.94 O ATOM 0 H SER A 95 11.212 -5.687 0.218 1.00 0.65 H new ATOM 0 HA SER A 95 11.692 -7.114 2.718 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.884 -4.730 2.282 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.720 -5.216 3.743 1.00 0.68 H new ATOM 0 HG SER A 95 12.220 -3.860 3.096 1.00 0.94 H new ATOM 1507 N ASP A 96 9.282 -7.857 3.276 1.00 0.69 N ATOM 1508 CA ASP A 96 8.046 -8.622 3.417 1.00 0.74 C ATOM 1509 C ASP A 96 6.837 -7.691 3.434 1.00 0.63 C ATOM 1510 O ASP A 96 6.950 -6.530 3.834 1.00 0.53 O ATOM 1511 CB ASP A 96 8.088 -9.464 4.699 1.00 0.94 C ATOM 1512 CG ASP A 96 6.896 -10.393 4.832 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.375 -10.849 3.791 1.00 1.57 O ATOM 1514 OD2 ASP A 96 6.473 -10.678 5.973 1.00 1.94 O ATOM 0 H ASP A 96 9.827 -7.775 4.134 1.00 0.69 H new ATOM 0 HA ASP A 96 7.953 -9.290 2.561 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.005 -10.053 4.711 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.124 -8.800 5.563 1.00 0.94 H new ATOM 1519 N TRP A 97 5.682 -8.216 3.032 1.00 0.76 N ATOM 1520 CA TRP A 97 4.435 -7.459 3.057 1.00 0.73 C ATOM 1521 C TRP A 97 4.094 -7.087 4.495 1.00 0.60 C ATOM 1522 O TRP A 97 3.759 -7.952 5.304 1.00 0.76 O ATOM 1523 CB TRP A 97 3.297 -8.276 2.439 1.00 0.99 C ATOM 1524 CG TRP A 97 3.665 -8.948 1.150 1.00 1.31 C ATOM 1525 CD1 TRP A 97 4.172 -10.205 0.998 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.540 -8.403 -0.168 1.00 1.05 C ATOM 1527 NE1 TRP A 97 4.377 -10.473 -0.334 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.993 -9.384 -1.070 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.088 -7.180 -0.672 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 4.005 -9.177 -2.449 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.101 -6.977 -2.038 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.554 -7.970 -2.912 1.00 1.26 C ATOM 0 H TRP A 97 5.585 -9.169 2.683 1.00 0.76 H new ATOM 0 HA TRP A 97 4.561 -6.550 2.469 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.976 -9.033 3.154 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.444 -7.620 2.265 1.00 0.99 H new ATOM 0 HD1 TRP A 97 4.382 -10.890 1.806 1.00 2.12 H new ATOM 0 HE1 TRP A 97 4.754 -11.342 -0.713 1.00 2.24 H new ATOM 0 HE3 TRP A 97 2.735 -6.408 -0.005 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 4.357 -9.941 -3.127 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 2.755 -6.035 -2.438 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.548 -7.781 -3.975 1.00 1.26 H new ATOM 1543 N SER A 98 4.422 -5.862 4.858 1.00 0.41 N ATOM 1544 CA SER A 98 4.380 -5.443 6.245 1.00 0.42 C ATOM 1545 C SER A 98 3.043 -4.822 6.640 1.00 0.38 C ATOM 1546 O SER A 98 2.281 -5.409 7.406 1.00 0.46 O ATOM 1547 CB SER A 98 5.511 -4.453 6.496 1.00 0.51 C ATOM 1548 OG SER A 98 6.310 -4.292 5.331 1.00 0.50 O ATOM 0 H SER A 98 4.722 -5.136 4.207 1.00 0.41 H new ATOM 0 HA SER A 98 4.502 -6.333 6.863 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.097 -3.490 6.795 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.130 -4.804 7.322 1.00 0.51 H new ATOM 0 HG SER A 98 6.573 -5.172 4.991 1.00 0.50 H new ATOM 1554 N VAL A 99 2.838 -3.577 6.230 1.00 0.33 N ATOM 1555 CA VAL A 99 1.709 -2.790 6.712 1.00 0.34 C ATOM 1556 C VAL A 99 0.392 -3.246 6.107 1.00 0.32 C ATOM 1557 O VAL A 99 0.044 -2.858 4.998 1.00 0.34 O ATOM 1558 CB VAL A 99 1.899 -1.288 6.424 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.105 -0.455 7.416 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.374 -0.908 6.467 1.00 1.32 C ATOM 0 H VAL A 99 3.438 -3.090 5.565 1.00 0.33 H new ATOM 0 HA VAL A 99 1.673 -2.949 7.790 1.00 0.34 H new ATOM 0 HB VAL A 99 1.527 -1.083 5.420 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.249 0.604 7.200 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.046 -0.701 7.333 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.449 -0.669 8.428 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.482 0.157 6.261 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.778 -1.129 7.455 1.00 1.32 H new ATOM 0 HG23 VAL A 99 3.919 -1.480 5.716 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.368 -3.998 6.883 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.697 -4.423 6.481 1.00 0.41 C ATOM 1572 C ALA A 100 -2.744 -3.421 6.956 1.00 0.43 C ATOM 1573 O ALA A 100 -3.281 -3.543 8.061 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.994 -5.809 7.030 1.00 0.50 C ATOM 0 H ALA A 100 -0.083 -4.330 7.805 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.735 -4.466 5.393 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.993 -6.116 6.722 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.261 -6.518 6.644 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.941 -5.788 8.118 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.001 -2.412 6.137 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.958 -1.370 6.480 1.00 0.36 C ATOM 1582 C ALA A 101 -5.339 -1.700 5.926 1.00 0.41 C ATOM 1583 O ALA A 101 -5.590 -1.562 4.732 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.482 -0.021 5.957 1.00 0.42 C ATOM 0 H ALA A 101 -2.558 -2.292 5.226 1.00 0.36 H new ATOM 0 HA ALA A 101 -4.032 -1.316 7.566 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.208 0.748 6.221 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.517 0.222 6.402 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.380 -0.067 4.873 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.245 -2.100 6.805 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.610 -2.403 6.395 1.00 0.57 C ATOM 1592 C HIS A 102 -8.534 -1.232 6.715 1.00 0.50 C ATOM 1593 O HIS A 102 -8.589 -0.765 7.854 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.124 -3.701 7.051 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.002 -3.744 8.548 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.010 -3.352 9.400 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.976 -4.130 9.344 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -8.611 -3.487 10.649 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -7.377 -3.957 10.646 1.00 2.00 N ATOM 0 H HIS A 102 -6.063 -2.222 7.801 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.608 -2.561 5.316 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -9.172 -3.837 6.782 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -7.576 -4.545 6.632 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -9.926 -3.009 9.109 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -6.018 -4.505 9.015 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -9.195 -3.253 11.527 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.198 -0.720 5.688 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.089 0.425 5.838 1.00 0.54 C ATOM 1610 C ALA A 103 -11.166 0.412 4.762 1.00 0.36 C ATOM 1611 O ALA A 103 -11.238 -0.523 3.960 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.301 1.725 5.785 1.00 0.91 C ATOM 0 H ALA A 103 -9.137 -1.081 4.736 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.575 0.355 6.811 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.982 2.568 5.899 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.568 1.739 6.592 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.787 1.800 4.827 1.00 0.91 H new ATOM 1618 N THR A 104 -12.019 1.424 4.773 1.00 0.41 N ATOM 1619 CA THR A 104 -13.127 1.506 3.833 1.00 0.38 C ATOM 1620 C THR A 104 -13.274 2.922 3.281 1.00 0.41 C ATOM 1621 O THR A 104 -13.016 3.896 3.992 1.00 0.51 O ATOM 1622 CB THR A 104 -14.450 1.107 4.516 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.360 1.318 5.932 1.00 0.73 O ATOM 1624 CG2 THR A 104 -14.785 -0.347 4.244 1.00 0.70 C ATOM 0 H THR A 104 -11.965 2.205 5.427 1.00 0.41 H new ATOM 0 HA THR A 104 -12.910 0.818 3.016 1.00 0.38 H new ATOM 0 HB THR A 104 -15.242 1.732 4.104 1.00 0.50 H new ATOM 0 HG1 THR A 104 -15.206 1.063 6.355 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.723 -0.603 4.737 1.00 0.70 H new ATOM 0 HG22 THR A 104 -14.886 -0.502 3.170 1.00 0.70 H new ATOM 0 HG23 THR A 104 -13.988 -0.982 4.629 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.740 3.061 2.025 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.026 4.365 1.433 1.00 0.38 C ATOM 1634 C PRO A 105 -15.254 5.008 2.079 1.00 0.40 C ATOM 1635 O PRO A 105 -15.757 4.514 3.091 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.302 4.065 -0.047 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.045 2.604 -0.244 1.00 0.45 C ATOM 1638 CD PRO A 105 -14.082 1.963 1.116 1.00 0.40 C ATOM 0 HA PRO A 105 -13.202 5.064 1.576 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.330 4.316 -0.308 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.655 4.662 -0.690 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.798 2.165 -0.898 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.078 2.443 -0.720 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -15.066 1.551 1.338 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.368 1.143 1.192 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.747 6.097 1.490 1.00 0.35 N ATOM 1647 CA TRP A 106 -16.920 6.778 2.024 1.00 0.41 C ATOM 1648 C TRP A 106 -18.104 5.823 2.084 1.00 0.48 C ATOM 1649 O TRP A 106 -18.604 5.367 1.057 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.279 8.006 1.182 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.516 8.703 1.668 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -18.840 8.983 2.966 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.599 9.193 0.870 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.057 9.613 3.022 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.544 9.754 1.749 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.860 9.214 -0.502 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.732 10.324 1.299 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.040 9.782 -0.947 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.962 10.330 -0.048 1.00 1.07 C ATOM 0 H TRP A 106 -15.354 6.522 0.650 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.681 7.115 3.033 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.444 8.706 1.195 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.423 7.701 0.146 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.227 8.743 3.822 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -20.524 9.926 3.873 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.153 8.794 -1.203 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.446 10.746 1.990 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.253 9.803 -2.006 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.874 10.767 -0.427 1.00 1.07 H new ATOM 1670 N THR A 107 -18.491 5.462 3.292 1.00 0.60 N ATOM 1671 CA THR A 107 -19.552 4.498 3.493 1.00 0.75 C ATOM 1672 C THR A 107 -20.922 5.128 3.273 1.00 0.82 C ATOM 1673 O THR A 107 -21.598 5.532 4.219 1.00 0.89 O ATOM 1674 CB THR A 107 -19.467 3.892 4.901 1.00 0.96 C ATOM 1675 OG1 THR A 107 -18.086 3.747 5.269 1.00 1.19 O ATOM 1676 CG2 THR A 107 -20.160 2.538 4.958 1.00 1.19 C ATOM 0 H THR A 107 -18.083 5.825 4.153 1.00 0.60 H new ATOM 0 HA THR A 107 -19.424 3.704 2.758 1.00 0.75 H new ATOM 0 HB THR A 107 -19.972 4.559 5.599 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.026 3.362 6.168 1.00 1.19 H new ATOM 0 HG21 THR A 107 -20.084 2.133 5.967 1.00 1.19 H new ATOM 0 HG22 THR A 107 -21.211 2.656 4.692 1.00 1.19 H new ATOM 0 HG23 THR A 107 -19.682 1.855 4.256 1.00 1.19 H new