USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 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 31 GLN : amide:sc= -0.546 K(o=-0.36,f=-2.2!) USER MOD Set 1.2: A 32 THR OG1 : rot 117:sc= 0.186 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.3) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=-7.1!) USER MOD Single : A 29 THR OG1 : rot -140:sc= 0 USER MOD Single : A 34 SER OG : rot -76:sc= 1.35 USER MOD Single : A 35 THR OG1 : rot 162:sc= 1.34 USER MOD Single : A 41 SER OG : rot 81:sc= 1.14 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.58) USER MOD Single : A 50 TYR OH : rot -163:sc= 1.14 USER MOD Single : A 57 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 59 GLN : amide:sc=-0.00738 X(o=-0.0074,f=-0.19) USER MOD Single : A 60 HIS : no HD1:sc= 1.03 K(o=1,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.059 USER MOD Single : A 65 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00785 USER MOD Single : A 69 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 0.998 (180deg=0.572) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -1.44 F(o=-2.1,f=-1.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 107:sc= 0.582 USER MOD Single : A 98 SER OG : rot -150:sc= 0.0418 USER MOD Single : A 102 HIS : no HE2:sc= 0.925 K(o=0.92,f=-6.2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 107 THR OG1 : rot -94:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 16.991 -4.339 1.122 1.00 1.09 N ATOM 78 CA LYS A 7 15.552 -4.302 1.293 1.00 1.10 C ATOM 79 C LYS A 7 15.197 -3.263 2.347 1.00 0.91 C ATOM 80 O LYS A 7 15.817 -3.219 3.411 1.00 0.98 O ATOM 81 CB LYS A 7 15.010 -5.680 1.689 1.00 1.37 C ATOM 82 CG LYS A 7 15.619 -6.252 2.959 1.00 1.06 C ATOM 83 CD LYS A 7 15.064 -7.631 3.269 1.00 1.05 C ATOM 84 CE LYS A 7 13.814 -7.546 4.127 1.00 1.34 C ATOM 85 NZ LYS A 7 13.646 -8.750 4.979 1.00 2.06 N ATOM 0 HA LYS A 7 15.090 -4.027 0.345 1.00 1.10 H new ATOM 0 HB2 LYS A 7 13.930 -5.609 1.818 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.188 -6.376 0.869 1.00 1.37 H new ATOM 0 HG2 LYS A 7 16.702 -6.310 2.850 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.418 -5.581 3.794 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.834 -8.150 2.338 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.821 -8.222 3.784 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.866 -6.659 4.758 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.940 -7.430 3.486 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 12.782 -8.654 5.549 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 13.571 -9.594 4.376 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 14.468 -8.847 5.609 1.00 2.06 H new ATOM 99 N PRO A 8 14.276 -2.350 2.021 1.00 0.74 N ATOM 100 CA PRO A 8 13.895 -1.254 2.915 1.00 0.60 C ATOM 101 C PRO A 8 13.218 -1.753 4.183 1.00 0.52 C ATOM 102 O PRO A 8 12.809 -2.913 4.266 1.00 0.60 O ATOM 103 CB PRO A 8 12.912 -0.421 2.082 1.00 0.61 C ATOM 104 CG PRO A 8 13.153 -0.832 0.671 1.00 0.84 C ATOM 105 CD PRO A 8 13.584 -2.267 0.729 1.00 0.81 C ATOM 0 HA PRO A 8 14.766 -0.692 3.252 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.881 -0.615 2.378 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.087 0.646 2.217 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.250 -0.719 0.072 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.921 -0.212 0.209 1.00 0.84 H new ATOM 0 HD2 PRO A 8 12.733 -2.947 0.682 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.244 -2.524 -0.100 1.00 0.81 H new ATOM 113 N ASP A 9 13.021 -0.852 5.131 1.00 0.44 N ATOM 114 CA ASP A 9 12.312 -1.186 6.354 1.00 0.48 C ATOM 115 C ASP A 9 10.816 -1.044 6.113 1.00 0.41 C ATOM 116 O ASP A 9 10.413 -0.413 5.133 1.00 0.41 O ATOM 117 CB ASP A 9 12.765 -0.263 7.492 1.00 0.61 C ATOM 118 CG ASP A 9 13.420 -1.009 8.638 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.551 -2.246 8.545 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.804 -0.366 9.639 1.00 1.53 O ATOM 0 H ASP A 9 13.342 0.115 5.077 1.00 0.44 H new ATOM 0 HA ASP A 9 12.534 -2.214 6.641 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.466 0.473 7.098 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.904 0.288 7.870 1.00 0.61 H new ATOM 125 N PRO A 10 9.968 -1.652 6.959 1.00 0.56 N ATOM 126 CA PRO A 10 8.514 -1.570 6.808 1.00 0.74 C ATOM 127 C PRO A 10 8.035 -0.122 6.715 1.00 0.67 C ATOM 128 O PRO A 10 8.349 0.697 7.586 1.00 0.97 O ATOM 129 CB PRO A 10 7.971 -2.237 8.081 1.00 1.05 C ATOM 130 CG PRO A 10 9.141 -2.386 8.993 1.00 1.12 C ATOM 131 CD PRO A 10 10.345 -2.483 8.109 1.00 0.78 C ATOM 0 HA PRO A 10 8.171 -2.051 5.892 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.193 -1.628 8.540 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.526 -3.206 7.855 1.00 1.05 H new ATOM 0 HG2 PRO A 10 9.220 -1.534 9.668 1.00 1.12 H new ATOM 0 HG3 PRO A 10 9.040 -3.276 9.614 1.00 1.12 H new ATOM 0 HD2 PRO A 10 11.241 -2.108 8.603 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.550 -3.512 7.815 1.00 0.78 H new ATOM 139 N PRO A 11 7.341 0.227 5.615 1.00 0.37 N ATOM 140 CA PRO A 11 6.864 1.588 5.359 1.00 0.38 C ATOM 141 C PRO A 11 6.128 2.178 6.555 1.00 0.28 C ATOM 142 O PRO A 11 5.395 1.478 7.258 1.00 0.35 O ATOM 143 CB PRO A 11 5.907 1.431 4.165 1.00 0.50 C ATOM 144 CG PRO A 11 5.781 -0.040 3.928 1.00 0.64 C ATOM 145 CD PRO A 11 7.015 -0.669 4.503 1.00 0.41 C ATOM 0 HA PRO A 11 7.691 2.271 5.164 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.936 1.876 4.382 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.299 1.936 3.282 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.885 -0.435 4.406 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.695 -0.256 2.863 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.830 -1.688 4.844 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.823 -0.719 3.773 1.00 0.41 H new ATOM 153 N GLU A 12 6.319 3.466 6.777 1.00 0.28 N ATOM 154 CA GLU A 12 5.680 4.150 7.885 1.00 0.30 C ATOM 155 C GLU A 12 4.773 5.252 7.364 1.00 0.28 C ATOM 156 O GLU A 12 4.688 5.463 6.155 1.00 0.31 O ATOM 157 CB GLU A 12 6.727 4.726 8.840 1.00 0.47 C ATOM 158 CG GLU A 12 7.786 5.566 8.150 1.00 0.98 C ATOM 159 CD GLU A 12 8.136 6.812 8.931 1.00 1.58 C ATOM 160 OE1 GLU A 12 8.997 6.733 9.829 1.00 2.11 O ATOM 161 OE2 GLU A 12 7.541 7.878 8.664 1.00 2.09 O ATOM 0 H GLU A 12 6.915 4.061 6.201 1.00 0.28 H new ATOM 0 HA GLU A 12 5.076 3.429 8.437 1.00 0.30 H new ATOM 0 HB2 GLU A 12 6.225 5.336 9.591 1.00 0.47 H new ATOM 0 HB3 GLU A 12 7.214 3.906 9.369 1.00 0.47 H new ATOM 0 HG2 GLU A 12 8.685 4.966 8.007 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.431 5.850 7.159 1.00 0.98 H new ATOM 168 N ASN A 13 4.047 5.889 8.277 1.00 0.33 N ATOM 169 CA ASN A 13 3.075 6.928 7.928 1.00 0.37 C ATOM 170 C ASN A 13 2.021 6.371 6.972 1.00 0.32 C ATOM 171 O ASN A 13 1.536 7.068 6.081 1.00 0.35 O ATOM 172 CB ASN A 13 3.777 8.144 7.307 1.00 0.45 C ATOM 173 CG ASN A 13 2.958 9.420 7.409 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.845 9.426 7.936 1.00 0.82 O ATOM 175 ND2 ASN A 13 3.504 10.511 6.896 1.00 1.01 N ATOM 0 H ASN A 13 4.113 5.703 9.278 1.00 0.33 H new ATOM 0 HA ASN A 13 2.578 7.253 8.842 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.736 8.294 7.802 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.988 7.938 6.258 1.00 0.45 H new ATOM 0 HD21 ASN A 13 3.000 11.397 6.929 1.00 1.01 H new ATOM 0 HD22 ASN A 13 4.429 10.466 6.468 1.00 1.01 H new ATOM 182 N VAL A 14 1.714 5.090 7.136 1.00 0.30 N ATOM 183 CA VAL A 14 0.766 4.409 6.271 1.00 0.29 C ATOM 184 C VAL A 14 -0.644 4.501 6.834 1.00 0.32 C ATOM 185 O VAL A 14 -0.902 4.082 7.962 1.00 0.47 O ATOM 186 CB VAL A 14 1.130 2.925 6.077 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.614 2.422 4.744 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.630 2.717 6.172 1.00 0.69 C ATOM 0 H VAL A 14 2.113 4.500 7.867 1.00 0.30 H new ATOM 0 HA VAL A 14 0.810 4.909 5.304 1.00 0.29 H new ATOM 0 HB VAL A 14 0.655 2.354 6.875 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.880 1.372 4.624 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.470 2.528 4.710 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.061 3.004 3.938 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.861 1.661 6.032 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.128 3.303 5.400 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.980 3.037 7.153 1.00 0.69 H new ATOM 198 N VAL A 15 -1.545 5.061 6.048 1.00 0.27 N ATOM 199 CA VAL A 15 -2.924 5.228 6.462 1.00 0.35 C ATOM 200 C VAL A 15 -3.865 5.091 5.265 1.00 0.34 C ATOM 201 O VAL A 15 -3.736 5.804 4.268 1.00 0.39 O ATOM 202 CB VAL A 15 -3.137 6.597 7.156 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.488 7.721 6.360 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.617 6.877 7.374 1.00 1.48 C ATOM 0 H VAL A 15 -1.343 5.410 5.111 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.154 4.442 7.181 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.655 6.551 8.132 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.653 8.670 6.870 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.417 7.536 6.276 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.929 7.763 5.364 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.736 7.844 7.863 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.130 6.891 6.412 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -5.046 6.097 8.003 1.00 1.48 H new ATOM 214 N ALA A 16 -4.816 4.176 5.374 1.00 0.35 N ATOM 215 CA ALA A 16 -5.820 3.995 4.341 1.00 0.38 C ATOM 216 C ALA A 16 -7.035 4.863 4.659 1.00 0.36 C ATOM 217 O ALA A 16 -7.650 4.715 5.718 1.00 0.39 O ATOM 218 CB ALA A 16 -6.207 2.530 4.230 1.00 0.45 C ATOM 0 H ALA A 16 -4.912 3.546 6.171 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.412 4.303 3.378 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.960 2.411 3.451 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.327 1.939 3.977 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.612 2.187 5.182 1.00 0.45 H new ATOM 224 N ARG A 17 -7.268 5.874 3.835 1.00 0.37 N ATOM 225 CA ARG A 17 -8.279 6.878 4.143 1.00 0.37 C ATOM 226 C ARG A 17 -9.477 6.787 3.209 1.00 0.35 C ATOM 227 O ARG A 17 -9.329 6.811 1.993 1.00 0.48 O ATOM 228 CB ARG A 17 -7.667 8.276 4.056 1.00 0.50 C ATOM 229 CG ARG A 17 -8.018 9.170 5.233 1.00 1.21 C ATOM 230 CD ARG A 17 -6.859 10.078 5.619 1.00 1.69 C ATOM 231 NE ARG A 17 -6.009 10.412 4.477 1.00 2.32 N ATOM 232 CZ ARG A 17 -4.724 10.737 4.572 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.129 10.806 5.761 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.035 11.000 3.475 1.00 3.99 N ATOM 0 H ARG A 17 -6.776 6.022 2.954 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.631 6.687 5.157 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -6.583 8.185 3.991 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.003 8.753 3.135 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -8.887 9.777 4.981 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -8.297 8.553 6.087 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.250 10.996 6.058 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.258 9.589 6.386 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.429 10.394 3.548 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -4.660 10.609 6.609 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.142 11.056 5.824 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.490 10.953 2.563 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.048 11.250 3.540 1.00 3.99 H new ATOM 248 N PRO A 18 -10.693 6.748 3.768 1.00 0.31 N ATOM 249 CA PRO A 18 -11.923 6.739 2.984 1.00 0.38 C ATOM 250 C PRO A 18 -12.218 8.113 2.393 1.00 0.39 C ATOM 251 O PRO A 18 -12.352 9.092 3.126 1.00 0.46 O ATOM 252 CB PRO A 18 -13.012 6.359 3.999 1.00 0.49 C ATOM 253 CG PRO A 18 -12.302 6.078 5.286 1.00 0.57 C ATOM 254 CD PRO A 18 -10.978 6.777 5.205 1.00 0.43 C ATOM 0 HA PRO A 18 -11.862 6.052 2.140 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.731 7.169 4.120 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.570 5.485 3.663 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.881 6.441 6.135 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.166 5.006 5.428 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.033 7.796 5.588 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.210 6.261 5.782 1.00 0.43 H new ATOM 262 N VAL A 19 -12.322 8.185 1.076 1.00 0.40 N ATOM 263 CA VAL A 19 -12.633 9.442 0.410 1.00 0.45 C ATOM 264 C VAL A 19 -14.126 9.735 0.530 1.00 0.48 C ATOM 265 O VAL A 19 -14.954 8.937 0.102 1.00 0.47 O ATOM 266 CB VAL A 19 -12.212 9.417 -1.077 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.565 10.725 -1.765 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.721 9.141 -1.195 1.00 0.52 C ATOM 0 H VAL A 19 -12.196 7.391 0.448 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.066 10.233 0.900 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.760 8.616 -1.574 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.258 10.681 -2.810 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.642 10.886 -1.709 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.049 11.547 -1.270 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.436 9.126 -2.247 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.164 9.924 -0.680 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.493 8.176 -0.743 1.00 0.52 H new ATOM 278 N PRO A 20 -14.490 10.833 1.212 1.00 0.58 N ATOM 279 CA PRO A 20 -15.894 11.158 1.492 1.00 0.69 C ATOM 280 C PRO A 20 -16.661 11.578 0.241 1.00 0.70 C ATOM 281 O PRO A 20 -17.890 11.588 0.232 1.00 1.27 O ATOM 282 CB PRO A 20 -15.808 12.321 2.485 1.00 0.84 C ATOM 283 CG PRO A 20 -14.460 12.918 2.270 1.00 0.97 C ATOM 284 CD PRO A 20 -13.565 11.785 1.857 1.00 0.67 C ATOM 0 HA PRO A 20 -16.436 10.294 1.877 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.596 13.052 2.305 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -15.925 11.972 3.511 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.493 13.689 1.500 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.094 13.392 3.181 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.788 12.118 1.169 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.062 11.338 2.714 1.00 0.67 H new ATOM 292 N SER A 21 -15.932 11.971 -0.791 1.00 0.80 N ATOM 293 CA SER A 21 -16.546 12.444 -2.021 1.00 0.85 C ATOM 294 C SER A 21 -16.662 11.318 -3.049 1.00 0.65 C ATOM 295 O SER A 21 -17.139 11.528 -4.167 1.00 0.69 O ATOM 296 CB SER A 21 -15.716 13.595 -2.584 1.00 1.07 C ATOM 297 OG SER A 21 -14.658 13.924 -1.696 1.00 1.49 O ATOM 0 H SER A 21 -14.912 11.972 -0.801 1.00 0.80 H new ATOM 0 HA SER A 21 -17.555 12.793 -1.800 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.310 13.317 -3.556 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.351 14.467 -2.741 1.00 1.07 H new ATOM 0 HG SER A 21 -14.134 14.662 -2.071 1.00 1.49 H new ATOM 303 N ASN A 22 -16.190 10.133 -2.679 1.00 0.55 N ATOM 304 CA ASN A 22 -16.210 8.988 -3.574 1.00 0.44 C ATOM 305 C ASN A 22 -16.526 7.711 -2.806 1.00 0.40 C ATOM 306 O ASN A 22 -15.744 7.271 -1.964 1.00 0.43 O ATOM 307 CB ASN A 22 -14.862 8.854 -4.271 1.00 0.57 C ATOM 308 CG ASN A 22 -14.917 7.928 -5.465 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.434 6.814 -5.388 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.375 8.377 -6.574 1.00 1.28 N ATOM 0 H ASN A 22 -15.788 9.942 -1.761 1.00 0.55 H new ATOM 0 HA ASN A 22 -16.989 9.144 -4.320 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.524 9.839 -4.594 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.124 8.482 -3.560 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.373 7.796 -7.412 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -13.956 9.307 -6.597 1.00 1.28 H new ATOM 317 N PRO A 23 -17.675 7.088 -3.098 1.00 0.40 N ATOM 318 CA PRO A 23 -18.123 5.874 -2.402 1.00 0.43 C ATOM 319 C PRO A 23 -17.339 4.614 -2.782 1.00 0.48 C ATOM 320 O PRO A 23 -17.814 3.496 -2.583 1.00 0.98 O ATOM 321 CB PRO A 23 -19.583 5.739 -2.837 1.00 0.56 C ATOM 322 CG PRO A 23 -19.649 6.416 -4.161 1.00 0.70 C ATOM 323 CD PRO A 23 -18.656 7.543 -4.101 1.00 0.48 C ATOM 0 HA PRO A 23 -17.975 5.964 -1.326 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.878 4.692 -2.913 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.255 6.209 -2.119 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.404 5.723 -4.966 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.653 6.791 -4.358 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.188 7.717 -5.070 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.129 8.479 -3.803 1.00 0.48 H new ATOM 331 N ARG A 24 -16.162 4.787 -3.367 1.00 0.31 N ATOM 332 CA ARG A 24 -15.360 3.649 -3.801 1.00 0.27 C ATOM 333 C ARG A 24 -13.864 3.942 -3.705 1.00 0.26 C ATOM 334 O ARG A 24 -13.038 3.108 -4.072 1.00 0.31 O ATOM 335 CB ARG A 24 -15.722 3.281 -5.243 1.00 0.35 C ATOM 336 CG ARG A 24 -15.759 1.785 -5.501 1.00 0.37 C ATOM 337 CD ARG A 24 -17.172 1.299 -5.742 1.00 0.62 C ATOM 338 NE ARG A 24 -17.252 0.386 -6.881 1.00 1.27 N ATOM 339 CZ ARG A 24 -17.905 0.657 -8.012 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.522 1.823 -8.169 1.00 2.44 N ATOM 341 NH2 ARG A 24 -17.942 -0.236 -8.989 1.00 2.86 N ATOM 0 H ARG A 24 -15.742 5.698 -3.552 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.581 2.813 -3.137 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.696 3.706 -5.483 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.999 3.739 -5.918 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.139 1.548 -6.366 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -15.332 1.257 -4.649 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.539 0.796 -4.848 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.824 2.154 -5.917 1.00 0.62 H new ATOM 0 HE ARG A 24 -16.779 -0.515 -6.806 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -18.498 2.517 -7.422 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -19.020 2.024 -9.036 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -17.470 -1.134 -8.878 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -18.442 -0.026 -9.853 1.00 2.86 H new ATOM 355 N ARG A 25 -13.517 5.144 -3.270 1.00 0.23 N ATOM 356 CA ARG A 25 -12.120 5.559 -3.253 1.00 0.26 C ATOM 357 C ARG A 25 -11.488 5.450 -1.865 1.00 0.24 C ATOM 358 O ARG A 25 -11.954 6.067 -0.903 1.00 0.24 O ATOM 359 CB ARG A 25 -11.993 6.993 -3.765 1.00 0.32 C ATOM 360 CG ARG A 25 -11.023 7.149 -4.926 1.00 0.51 C ATOM 361 CD ARG A 25 -10.591 8.597 -5.090 1.00 0.80 C ATOM 362 NE ARG A 25 -10.808 9.096 -6.448 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.060 8.773 -7.508 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.038 7.935 -7.386 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.333 9.295 -8.698 1.00 2.31 N ATOM 0 H ARG A 25 -14.175 5.844 -2.927 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.579 4.877 -3.910 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -12.976 7.346 -4.076 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -11.669 7.634 -2.945 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.147 6.522 -4.758 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.493 6.801 -5.846 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.142 9.219 -4.385 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -9.535 8.689 -4.837 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.587 9.737 -6.597 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -8.816 7.530 -6.476 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -8.474 7.696 -8.202 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -11.114 9.943 -8.804 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -9.762 9.048 -9.506 1.00 2.31 H new ATOM 379 N LEU A 26 -10.347 4.774 -1.814 1.00 0.29 N ATOM 380 CA LEU A 26 -9.529 4.713 -0.611 1.00 0.35 C ATOM 381 C LEU A 26 -8.187 5.378 -0.879 1.00 0.39 C ATOM 382 O LEU A 26 -7.425 4.922 -1.730 1.00 0.44 O ATOM 383 CB LEU A 26 -9.283 3.263 -0.176 1.00 0.44 C ATOM 384 CG LEU A 26 -10.400 2.605 0.638 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.960 1.238 1.132 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.802 3.478 1.813 1.00 0.43 C ATOM 0 H LEU A 26 -9.964 4.254 -2.604 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.062 5.231 0.186 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.109 2.662 -1.069 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.366 3.232 0.412 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.266 2.485 -0.013 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.765 0.783 1.709 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.721 0.603 0.279 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.078 1.346 1.763 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.597 2.988 2.375 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.941 3.633 2.463 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.157 4.441 1.446 1.00 0.43 H new ATOM 398 N GLU A 27 -7.884 6.425 -0.134 1.00 0.41 N ATOM 399 CA GLU A 27 -6.602 7.091 -0.255 1.00 0.47 C ATOM 400 C GLU A 27 -5.588 6.433 0.665 1.00 0.41 C ATOM 401 O GLU A 27 -5.380 6.871 1.799 1.00 0.48 O ATOM 402 CB GLU A 27 -6.716 8.582 0.076 1.00 0.51 C ATOM 403 CG GLU A 27 -5.525 9.392 -0.419 1.00 0.99 C ATOM 404 CD GLU A 27 -5.390 10.737 0.263 1.00 1.26 C ATOM 405 OE1 GLU A 27 -5.831 10.861 1.428 1.00 1.63 O ATOM 406 OE2 GLU A 27 -4.851 11.677 -0.355 1.00 1.82 O ATOM 0 H GLU A 27 -8.509 6.832 0.562 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.269 6.999 -1.289 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.629 8.979 -0.368 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.808 8.703 1.155 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -4.612 8.818 -0.259 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.620 9.545 -1.494 1.00 0.99 H new ATOM 413 N VAL A 28 -4.955 5.382 0.174 1.00 0.40 N ATOM 414 CA VAL A 28 -3.915 4.711 0.930 1.00 0.38 C ATOM 415 C VAL A 28 -2.625 5.499 0.806 1.00 0.35 C ATOM 416 O VAL A 28 -2.015 5.541 -0.261 1.00 0.42 O ATOM 417 CB VAL A 28 -3.675 3.264 0.449 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.376 2.353 1.630 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.867 2.742 -0.336 1.00 0.68 C ATOM 0 H VAL A 28 -5.143 4.976 -0.743 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.243 4.660 1.968 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.811 3.270 -0.215 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.209 1.337 1.273 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.483 2.707 2.146 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.221 2.361 2.319 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.669 1.721 -0.662 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.754 2.755 0.297 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.034 3.375 -1.208 1.00 0.68 H new ATOM 429 N THR A 29 -2.266 6.200 1.863 1.00 0.31 N ATOM 430 CA THR A 29 -1.084 7.042 1.844 1.00 0.30 C ATOM 431 C THR A 29 -0.027 6.493 2.791 1.00 0.28 C ATOM 432 O THR A 29 -0.354 5.933 3.833 1.00 0.31 O ATOM 433 CB THR A 29 -1.430 8.487 2.241 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.796 8.773 1.909 1.00 0.69 O ATOM 435 CG2 THR A 29 -0.513 9.482 1.546 1.00 0.59 C ATOM 0 H THR A 29 -2.775 6.204 2.747 1.00 0.31 H new ATOM 0 HA THR A 29 -0.692 7.044 0.827 1.00 0.30 H new ATOM 0 HB THR A 29 -1.289 8.585 3.317 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.862 9.683 1.552 1.00 0.69 H new ATOM 0 HG21 THR A 29 -0.781 10.495 1.846 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.521 9.282 1.828 1.00 0.59 H new ATOM 0 HG23 THR A 29 -0.621 9.383 0.466 1.00 0.59 H new ATOM 443 N TRP A 30 1.229 6.593 2.391 1.00 0.27 N ATOM 444 CA TRP A 30 2.328 6.073 3.186 1.00 0.28 C ATOM 445 C TRP A 30 3.572 6.917 2.974 1.00 0.27 C ATOM 446 O TRP A 30 3.542 7.916 2.249 1.00 0.33 O ATOM 447 CB TRP A 30 2.624 4.617 2.807 1.00 0.29 C ATOM 448 CG TRP A 30 2.699 4.404 1.327 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.758 4.682 0.510 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.663 3.894 0.483 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.438 4.380 -0.792 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.156 3.895 -0.833 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.365 3.436 0.715 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.393 3.463 -1.914 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.389 3.011 -0.359 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.127 3.025 -1.659 1.00 0.46 C ATOM 0 H TRP A 30 1.514 7.032 1.516 1.00 0.27 H new ATOM 0 HA TRP A 30 2.040 6.113 4.237 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.567 4.313 3.261 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.848 3.974 3.223 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.707 5.080 0.839 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.054 4.497 -1.597 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.041 3.415 1.716 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 1.789 3.474 -2.919 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.397 2.661 -0.193 1.00 0.49 H new ATOM 0 HH2 TRP A 30 -0.489 2.682 -2.477 1.00 0.46 H new ATOM 467 N GLN A 31 4.668 6.471 3.553 1.00 0.28 N ATOM 468 CA GLN A 31 5.952 7.113 3.382 1.00 0.29 C ATOM 469 C GLN A 31 7.053 6.079 3.524 1.00 0.29 C ATOM 470 O GLN A 31 6.806 4.963 3.986 1.00 0.29 O ATOM 471 CB GLN A 31 6.145 8.214 4.425 1.00 0.32 C ATOM 472 CG GLN A 31 5.942 9.619 3.883 1.00 0.64 C ATOM 473 CD GLN A 31 6.666 9.856 2.572 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.798 9.403 2.379 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.017 10.560 1.662 1.00 0.79 N ATOM 0 H GLN A 31 4.692 5.650 4.157 1.00 0.28 H new ATOM 0 HA GLN A 31 5.992 7.563 2.390 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.449 8.048 5.247 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.150 8.137 4.839 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.876 9.798 3.741 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.291 10.342 4.621 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.082 10.916 1.863 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.450 10.748 0.758 1.00 0.79 H new ATOM 484 N THR A 32 8.276 6.470 3.209 1.00 0.34 N ATOM 485 CA THR A 32 9.414 5.594 3.399 1.00 0.36 C ATOM 486 C THR A 32 9.717 5.464 4.884 1.00 0.41 C ATOM 487 O THR A 32 9.475 6.397 5.647 1.00 0.49 O ATOM 488 CB THR A 32 10.662 6.121 2.669 1.00 0.42 C ATOM 489 OG1 THR A 32 10.883 7.502 2.996 1.00 0.49 O ATOM 490 CG2 THR A 32 10.505 5.974 1.167 1.00 0.49 C ATOM 0 H THR A 32 8.504 7.386 2.822 1.00 0.34 H new ATOM 0 HA THR A 32 9.160 4.620 2.980 1.00 0.36 H new ATOM 0 HB THR A 32 11.520 5.532 2.994 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.740 7.595 3.461 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.398 6.352 0.669 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.368 4.922 0.917 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.636 6.542 0.835 1.00 0.49 H new ATOM 498 N PRO A 33 10.235 4.309 5.320 1.00 0.39 N ATOM 499 CA PRO A 33 10.580 4.076 6.726 1.00 0.46 C ATOM 500 C PRO A 33 11.570 5.122 7.241 1.00 0.56 C ATOM 501 O PRO A 33 12.300 5.727 6.459 1.00 0.60 O ATOM 502 CB PRO A 33 11.226 2.685 6.715 1.00 0.46 C ATOM 503 CG PRO A 33 11.591 2.438 5.290 1.00 0.42 C ATOM 504 CD PRO A 33 10.551 3.147 4.480 1.00 0.35 C ATOM 0 HA PRO A 33 9.712 4.143 7.382 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.105 2.653 7.358 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.535 1.926 7.082 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.588 2.820 5.069 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.601 1.371 5.067 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.930 3.444 3.502 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.675 2.521 4.306 1.00 0.35 H new ATOM 512 N SER A 34 11.626 5.304 8.552 1.00 0.66 N ATOM 513 CA SER A 34 12.552 6.259 9.157 1.00 0.80 C ATOM 514 C SER A 34 13.998 5.864 8.872 1.00 0.86 C ATOM 515 O SER A 34 14.883 6.713 8.784 1.00 0.96 O ATOM 516 CB SER A 34 12.303 6.329 10.661 1.00 0.92 C ATOM 517 OG SER A 34 11.074 5.696 10.991 1.00 1.02 O ATOM 0 H SER A 34 11.041 4.803 9.221 1.00 0.66 H new ATOM 0 HA SER A 34 12.381 7.243 8.720 1.00 0.80 H new ATOM 0 HB2 SER A 34 13.122 5.847 11.194 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.281 7.370 10.984 1.00 0.92 H new ATOM 0 HG SER A 34 10.328 6.284 10.750 1.00 1.02 H new ATOM 523 N THR A 35 14.213 4.572 8.666 1.00 0.82 N ATOM 524 CA THR A 35 15.531 4.049 8.344 1.00 0.91 C ATOM 525 C THR A 35 15.885 4.287 6.871 1.00 0.92 C ATOM 526 O THR A 35 16.991 3.980 6.431 1.00 1.11 O ATOM 527 CB THR A 35 15.593 2.541 8.654 1.00 0.89 C ATOM 528 OG1 THR A 35 14.473 2.174 9.480 1.00 0.85 O ATOM 529 CG2 THR A 35 16.890 2.180 9.362 1.00 1.08 C ATOM 0 H THR A 35 13.483 3.862 8.717 1.00 0.82 H new ATOM 0 HA THR A 35 16.258 4.580 8.959 1.00 0.91 H new ATOM 0 HB THR A 35 15.555 1.994 7.712 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.342 1.204 9.441 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.906 1.110 9.568 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.736 2.440 8.726 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.958 2.731 10.300 1.00 1.08 H new ATOM 537 N TRP A 36 14.952 4.865 6.122 1.00 0.80 N ATOM 538 CA TRP A 36 15.176 5.168 4.714 1.00 0.83 C ATOM 539 C TRP A 36 14.794 6.613 4.413 1.00 1.00 C ATOM 540 O TRP A 36 13.611 6.952 4.341 1.00 1.09 O ATOM 541 CB TRP A 36 14.368 4.216 3.830 1.00 0.74 C ATOM 542 CG TRP A 36 15.086 3.818 2.580 1.00 0.78 C ATOM 543 CD1 TRP A 36 15.155 4.527 1.416 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.841 2.620 2.369 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.903 3.842 0.492 1.00 0.97 N ATOM 546 CE2 TRP A 36 16.336 2.668 1.053 1.00 0.98 C ATOM 547 CE3 TRP A 36 16.146 1.510 3.162 1.00 0.97 C ATOM 548 CZ2 TRP A 36 17.120 1.650 0.513 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.925 0.501 2.625 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.404 0.576 1.313 1.00 1.21 C ATOM 0 H TRP A 36 14.031 5.134 6.468 1.00 0.80 H new ATOM 0 HA TRP A 36 16.236 5.034 4.497 1.00 0.83 H new ATOM 0 HB2 TRP A 36 14.123 3.320 4.401 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.424 4.692 3.563 1.00 0.74 H new ATOM 0 HD1 TRP A 36 14.689 5.487 1.247 1.00 0.86 H new ATOM 0 HE1 TRP A 36 16.104 4.155 -0.458 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.780 1.441 4.176 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 17.490 1.706 -0.500 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.168 -0.360 3.230 1.00 1.14 H new ATOM 0 HH2 TRP A 36 18.010 -0.229 0.924 1.00 1.21 H new ATOM 561 N PRO A 37 15.792 7.498 4.296 1.00 1.20 N ATOM 562 CA PRO A 37 15.566 8.928 4.076 1.00 1.44 C ATOM 563 C PRO A 37 15.025 9.232 2.676 1.00 1.34 C ATOM 564 O PRO A 37 13.823 9.456 2.503 1.00 1.49 O ATOM 565 CB PRO A 37 16.954 9.561 4.278 1.00 1.76 C ATOM 566 CG PRO A 37 17.798 8.493 4.893 1.00 1.78 C ATOM 567 CD PRO A 37 17.220 7.188 4.434 1.00 1.34 C ATOM 0 HA PRO A 37 14.811 9.322 4.756 1.00 1.44 H new ATOM 0 HB2 PRO A 37 17.374 9.895 3.329 1.00 1.76 H new ATOM 0 HB3 PRO A 37 16.895 10.436 4.926 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.838 8.590 4.580 1.00 1.78 H new ATOM 0 HG3 PRO A 37 17.784 8.564 5.981 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.656 6.862 3.490 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.393 6.392 5.158 1.00 1.34 H new ATOM 575 N ASP A 38 15.919 9.329 1.699 1.00 1.33 N ATOM 576 CA ASP A 38 15.528 9.699 0.342 1.00 1.35 C ATOM 577 C ASP A 38 15.212 8.471 -0.514 1.00 1.29 C ATOM 578 O ASP A 38 16.032 7.558 -0.642 1.00 1.42 O ATOM 579 CB ASP A 38 16.625 10.527 -0.325 1.00 1.65 C ATOM 580 CG ASP A 38 16.297 10.844 -1.768 1.00 1.90 C ATOM 581 OD1 ASP A 38 15.561 11.824 -2.011 1.00 2.28 O ATOM 582 OD2 ASP A 38 16.756 10.104 -2.661 1.00 2.16 O ATOM 0 H ASP A 38 16.917 9.157 1.819 1.00 1.33 H new ATOM 0 HA ASP A 38 14.620 10.298 0.420 1.00 1.35 H new ATOM 0 HB2 ASP A 38 16.765 11.456 0.228 1.00 1.65 H new ATOM 0 HB3 ASP A 38 17.569 9.983 -0.279 1.00 1.65 H new ATOM 587 N PRO A 39 14.011 8.427 -1.105 1.00 1.31 N ATOM 588 CA PRO A 39 13.574 7.316 -1.940 1.00 1.44 C ATOM 589 C PRO A 39 13.830 7.541 -3.434 1.00 1.61 C ATOM 590 O PRO A 39 13.316 6.804 -4.275 1.00 1.84 O ATOM 591 CB PRO A 39 12.077 7.275 -1.662 1.00 1.62 C ATOM 592 CG PRO A 39 11.692 8.698 -1.398 1.00 1.69 C ATOM 593 CD PRO A 39 12.939 9.423 -0.941 1.00 1.44 C ATOM 0 HA PRO A 39 14.112 6.396 -1.711 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.529 6.869 -2.512 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.852 6.640 -0.805 1.00 1.62 H new ATOM 0 HG2 PRO A 39 11.287 9.160 -2.298 1.00 1.69 H new ATOM 0 HG3 PRO A 39 10.915 8.751 -0.635 1.00 1.69 H new ATOM 0 HD2 PRO A 39 13.126 10.313 -1.542 1.00 1.44 H new ATOM 0 HD3 PRO A 39 12.853 9.750 0.095 1.00 1.44 H new ATOM 601 N GLU A 40 14.629 8.549 -3.766 1.00 1.57 N ATOM 602 CA GLU A 40 14.950 8.836 -5.160 1.00 1.76 C ATOM 603 C GLU A 40 16.305 8.242 -5.520 1.00 1.76 C ATOM 604 O GLU A 40 16.468 7.629 -6.576 1.00 1.90 O ATOM 605 CB GLU A 40 14.951 10.344 -5.417 1.00 1.90 C ATOM 606 CG GLU A 40 14.758 10.712 -6.878 1.00 2.12 C ATOM 607 CD GLU A 40 13.385 10.339 -7.396 1.00 2.36 C ATOM 608 OE1 GLU A 40 12.462 11.171 -7.299 1.00 2.63 O ATOM 609 OE2 GLU A 40 13.225 9.217 -7.915 1.00 2.91 O ATOM 0 H GLU A 40 15.065 9.179 -3.092 1.00 1.57 H new ATOM 0 HA GLU A 40 14.185 8.381 -5.789 1.00 1.76 H new ATOM 0 HB2 GLU A 40 14.159 10.805 -4.827 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.894 10.763 -5.067 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.910 11.784 -7.002 1.00 2.12 H new ATOM 0 HG3 GLU A 40 15.517 10.211 -7.478 1.00 2.12 H new ATOM 616 N SER A 41 17.256 8.376 -4.606 1.00 1.67 N ATOM 617 CA SER A 41 18.577 7.785 -4.778 1.00 1.75 C ATOM 618 C SER A 41 18.485 6.269 -4.627 1.00 1.63 C ATOM 619 O SER A 41 19.264 5.517 -5.215 1.00 1.67 O ATOM 620 CB SER A 41 19.549 8.375 -3.755 1.00 1.82 C ATOM 621 OG SER A 41 19.248 9.740 -3.494 1.00 1.89 O ATOM 0 H SER A 41 17.137 8.891 -3.734 1.00 1.67 H new ATOM 0 HA SER A 41 18.950 8.013 -5.776 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.498 7.804 -2.828 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.570 8.289 -4.126 1.00 1.82 H new ATOM 0 HG SER A 41 18.505 9.795 -2.857 1.00 1.89 H new ATOM 627 N PHE A 42 17.425 5.842 -3.955 1.00 1.51 N ATOM 628 CA PHE A 42 17.082 4.434 -3.847 1.00 1.41 C ATOM 629 C PHE A 42 15.599 4.269 -4.163 1.00 1.27 C ATOM 630 O PHE A 42 14.756 4.433 -3.282 1.00 1.40 O ATOM 631 CB PHE A 42 17.379 3.915 -2.439 1.00 1.58 C ATOM 632 CG PHE A 42 18.768 3.371 -2.270 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.063 2.064 -2.623 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.779 4.165 -1.752 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.339 1.559 -2.463 1.00 3.12 C ATOM 636 CE2 PHE A 42 21.058 3.665 -1.589 1.00 3.01 C ATOM 637 CZ PHE A 42 21.337 2.361 -1.945 1.00 3.32 C ATOM 0 H PHE A 42 16.779 6.464 -3.469 1.00 1.51 H new ATOM 0 HA PHE A 42 17.681 3.858 -4.553 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.227 4.724 -1.725 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.661 3.133 -2.192 1.00 1.58 H new ATOM 0 HD1 PHE A 42 18.286 1.432 -3.028 1.00 2.54 H new ATOM 0 HD2 PHE A 42 19.565 5.186 -1.472 1.00 2.38 H new ATOM 0 HE1 PHE A 42 20.556 0.539 -2.743 1.00 3.12 H new ATOM 0 HE2 PHE A 42 21.837 4.294 -1.184 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.335 1.968 -1.819 1.00 3.32 H new ATOM 647 N PRO A 43 15.262 4.127 -5.456 1.00 1.24 N ATOM 648 CA PRO A 43 13.871 4.101 -5.929 1.00 1.33 C ATOM 649 C PRO A 43 13.051 2.980 -5.295 1.00 1.26 C ATOM 650 O PRO A 43 13.127 1.821 -5.706 1.00 1.97 O ATOM 651 CB PRO A 43 13.999 3.888 -7.445 1.00 1.58 C ATOM 652 CG PRO A 43 15.412 3.468 -7.675 1.00 1.75 C ATOM 653 CD PRO A 43 16.213 4.092 -6.573 1.00 1.40 C ATOM 0 HA PRO A 43 13.343 5.017 -5.662 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.302 3.126 -7.794 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.769 4.804 -7.990 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.504 2.382 -7.657 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.764 3.802 -8.651 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.097 3.502 -6.332 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.559 5.090 -6.840 1.00 1.40 H new ATOM 661 N LEU A 44 12.283 3.336 -4.278 1.00 0.98 N ATOM 662 CA LEU A 44 11.494 2.368 -3.536 1.00 0.82 C ATOM 663 C LEU A 44 10.220 1.990 -4.277 1.00 0.78 C ATOM 664 O LEU A 44 9.305 2.801 -4.420 1.00 0.98 O ATOM 665 CB LEU A 44 11.143 2.915 -2.152 1.00 0.83 C ATOM 666 CG LEU A 44 11.742 2.138 -0.982 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.249 2.330 -0.938 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.107 2.569 0.331 1.00 1.29 C ATOM 0 H LEU A 44 12.190 4.296 -3.946 1.00 0.98 H new ATOM 0 HA LEU A 44 12.101 1.469 -3.429 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.478 3.950 -2.091 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.058 2.924 -2.046 1.00 0.83 H new ATOM 0 HG LEU A 44 11.532 1.078 -1.127 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.663 1.771 -0.099 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.689 1.969 -1.867 1.00 1.54 H new ATOM 0 HD13 LEU A 44 13.477 3.389 -0.816 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.548 2.003 1.152 1.00 1.29 H new ATOM 0 HD22 LEU A 44 11.283 3.633 0.488 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.034 2.380 0.296 1.00 1.29 H new ATOM 680 N LYS A 45 10.124 0.719 -4.619 1.00 0.70 N ATOM 681 CA LYS A 45 8.909 0.158 -5.179 1.00 0.68 C ATOM 682 C LYS A 45 7.975 -0.223 -4.042 1.00 0.60 C ATOM 683 O LYS A 45 8.411 -0.811 -3.048 1.00 0.76 O ATOM 684 CB LYS A 45 9.232 -1.085 -6.010 1.00 0.78 C ATOM 685 CG LYS A 45 9.154 -0.866 -7.507 1.00 1.13 C ATOM 686 CD LYS A 45 9.190 -2.189 -8.253 1.00 1.25 C ATOM 687 CE LYS A 45 9.658 -2.005 -9.684 1.00 1.41 C ATOM 688 NZ LYS A 45 9.253 -3.141 -10.554 1.00 1.75 N ATOM 0 H LYS A 45 10.885 0.047 -4.517 1.00 0.70 H new ATOM 0 HA LYS A 45 8.435 0.897 -5.825 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.235 -1.428 -5.756 1.00 0.78 H new ATOM 0 HB3 LYS A 45 8.542 -1.883 -5.734 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.237 -0.331 -7.753 1.00 1.13 H new ATOM 0 HG3 LYS A 45 9.985 -0.239 -7.830 1.00 1.13 H new ATOM 0 HD2 LYS A 45 9.855 -2.881 -7.737 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.197 -2.638 -8.248 1.00 1.25 H new ATOM 0 HE2 LYS A 45 9.247 -1.078 -10.083 1.00 1.41 H new ATOM 0 HE3 LYS A 45 10.743 -1.905 -9.700 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.100 -2.798 -11.524 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 10.003 -3.861 -10.556 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 8.373 -3.559 -10.191 1.00 1.75 H new ATOM 702 N PHE A 46 6.712 0.136 -4.160 1.00 0.46 N ATOM 703 CA PHE A 46 5.749 -0.161 -3.115 1.00 0.41 C ATOM 704 C PHE A 46 4.742 -1.193 -3.600 1.00 0.44 C ATOM 705 O PHE A 46 4.084 -1.003 -4.622 1.00 0.58 O ATOM 706 CB PHE A 46 5.042 1.114 -2.656 1.00 0.42 C ATOM 707 CG PHE A 46 5.818 1.876 -1.618 1.00 0.37 C ATOM 708 CD1 PHE A 46 5.867 1.431 -0.306 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.505 3.031 -1.955 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.584 2.125 0.651 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.225 3.729 -1.003 1.00 0.48 C ATOM 712 CZ PHE A 46 7.265 3.275 0.301 1.00 0.47 C ATOM 0 H PHE A 46 6.329 0.632 -4.965 1.00 0.46 H new ATOM 0 HA PHE A 46 6.283 -0.578 -2.261 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.870 1.758 -3.518 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.063 0.855 -2.252 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.339 0.531 -0.028 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.478 3.390 -2.973 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.612 1.769 1.670 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.756 4.628 -1.279 1.00 0.48 H new ATOM 0 HZ PHE A 46 7.828 3.818 1.046 1.00 0.47 H new ATOM 722 N PHE A 47 4.659 -2.304 -2.889 1.00 0.40 N ATOM 723 CA PHE A 47 3.751 -3.373 -3.261 1.00 0.44 C ATOM 724 C PHE A 47 2.432 -3.217 -2.527 1.00 0.39 C ATOM 725 O PHE A 47 2.379 -3.342 -1.305 1.00 0.59 O ATOM 726 CB PHE A 47 4.359 -4.740 -2.940 1.00 0.55 C ATOM 727 CG PHE A 47 5.739 -4.942 -3.494 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.997 -4.740 -4.839 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.776 -5.338 -2.669 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.266 -4.927 -5.350 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.046 -5.528 -3.173 1.00 0.75 C ATOM 732 CZ PHE A 47 8.290 -5.323 -4.516 1.00 0.73 C ATOM 0 H PHE A 47 5.210 -2.489 -2.051 1.00 0.40 H new ATOM 0 HA PHE A 47 3.577 -3.312 -4.335 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.391 -4.866 -1.858 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.704 -5.518 -3.332 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.197 -4.433 -5.496 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.589 -5.500 -1.618 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.456 -4.763 -6.400 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.848 -5.836 -2.518 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.283 -5.473 -4.914 1.00 0.73 H new ATOM 742 N LEU A 48 1.386 -2.907 -3.269 1.00 0.33 N ATOM 743 CA LEU A 48 0.074 -2.712 -2.684 1.00 0.35 C ATOM 744 C LEU A 48 -0.838 -3.889 -2.992 1.00 0.35 C ATOM 745 O LEU A 48 -1.124 -4.185 -4.154 1.00 0.57 O ATOM 746 CB LEU A 48 -0.556 -1.418 -3.203 1.00 0.44 C ATOM 747 CG LEU A 48 -1.953 -1.114 -2.658 1.00 0.72 C ATOM 748 CD1 LEU A 48 -2.005 0.286 -2.075 1.00 1.02 C ATOM 749 CD2 LEU A 48 -3.002 -1.282 -3.746 1.00 1.05 C ATOM 0 H LEU A 48 1.420 -2.785 -4.281 1.00 0.33 H new ATOM 0 HA LEU A 48 0.196 -2.640 -1.603 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.103 -0.586 -2.955 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.610 -1.469 -4.290 1.00 0.44 H new ATOM 0 HG LEU A 48 -2.172 -1.825 -1.861 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -3.006 0.484 -1.693 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -1.283 0.369 -1.262 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.763 1.012 -2.851 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.988 -1.061 -3.338 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.788 -0.598 -4.567 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.983 -2.308 -4.114 1.00 1.05 H new ATOM 761 N ARG A 49 -1.362 -4.494 -1.945 1.00 0.26 N ATOM 762 CA ARG A 49 -2.360 -5.540 -2.082 1.00 0.27 C ATOM 763 C ARG A 49 -3.570 -5.158 -1.249 1.00 0.24 C ATOM 764 O ARG A 49 -3.423 -4.736 -0.109 1.00 0.30 O ATOM 765 CB ARG A 49 -1.817 -6.898 -1.626 1.00 0.34 C ATOM 766 CG ARG A 49 -0.400 -6.851 -1.090 1.00 0.44 C ATOM 767 CD ARG A 49 0.119 -8.238 -0.758 1.00 0.75 C ATOM 768 NE ARG A 49 0.013 -9.160 -1.891 1.00 1.07 N ATOM 769 CZ ARG A 49 0.112 -10.486 -1.778 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.305 -11.038 -0.585 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.010 -11.260 -2.853 1.00 2.02 N ATOM 0 H ARG A 49 -1.111 -4.278 -0.980 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.633 -5.636 -3.133 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.473 -7.298 -0.853 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.853 -7.592 -2.466 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.253 -6.385 -1.828 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.369 -6.227 -0.197 1.00 0.44 H new ATOM 0 HD2 ARG A 49 1.161 -8.168 -0.446 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -0.440 -8.639 0.087 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.145 -8.766 -2.819 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.377 -10.448 0.244 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.381 -12.051 -0.498 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.145 -10.841 -3.770 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.086 -12.273 -2.761 1.00 2.02 H new ATOM 785 N TYR A 50 -4.750 -5.254 -1.827 1.00 0.26 N ATOM 786 CA TYR A 50 -5.962 -4.854 -1.134 1.00 0.27 C ATOM 787 C TYR A 50 -6.958 -6.004 -1.095 1.00 0.28 C ATOM 788 O TYR A 50 -7.579 -6.339 -2.104 1.00 0.36 O ATOM 789 CB TYR A 50 -6.580 -3.602 -1.778 1.00 0.35 C ATOM 790 CG TYR A 50 -6.740 -3.653 -3.288 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.623 -3.633 -4.113 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.993 -3.749 -3.888 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.746 -3.698 -5.487 1.00 0.90 C ATOM 794 CE2 TYR A 50 -8.122 -3.820 -5.262 1.00 0.79 C ATOM 795 CZ TYR A 50 -7.073 -3.701 -6.051 1.00 0.90 C ATOM 796 OH TYR A 50 -7.115 -3.866 -7.425 1.00 1.13 O ATOM 0 H TYR A 50 -4.898 -5.605 -2.773 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.700 -4.598 -0.107 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.560 -3.432 -1.332 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.961 -2.741 -1.525 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.640 -3.565 -3.672 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.878 -3.768 -3.270 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.873 -3.745 -6.121 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -9.098 -3.976 -5.696 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.994 -3.592 -7.761 1.00 1.13 H new ATOM 806 N ARG A 51 -6.991 -6.686 0.039 1.00 0.29 N ATOM 807 CA ARG A 51 -7.813 -7.877 0.204 1.00 0.34 C ATOM 808 C ARG A 51 -9.197 -7.539 0.754 1.00 0.29 C ATOM 809 O ARG A 51 -9.352 -7.252 1.942 1.00 0.33 O ATOM 810 CB ARG A 51 -7.115 -8.867 1.138 1.00 0.46 C ATOM 811 CG ARG A 51 -7.735 -10.254 1.151 1.00 0.64 C ATOM 812 CD ARG A 51 -6.902 -11.225 1.979 1.00 1.25 C ATOM 813 NE ARG A 51 -7.063 -10.993 3.412 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.099 -11.172 4.316 1.00 2.29 C ATOM 815 NH1 ARG A 51 -4.914 -11.644 3.949 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.322 -10.891 5.594 1.00 3.10 N ATOM 0 H ARG A 51 -6.452 -6.432 0.867 1.00 0.29 H new ATOM 0 HA ARG A 51 -7.944 -8.327 -0.780 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.069 -8.952 0.843 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.129 -8.465 2.151 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -8.745 -10.199 1.558 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.822 -10.625 0.130 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.194 -12.248 1.741 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -5.851 -11.123 1.710 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.973 -10.673 3.743 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -4.737 -11.872 2.971 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -4.181 -11.779 4.645 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -7.233 -10.537 5.887 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -5.583 -11.029 6.283 1.00 3.10 H new ATOM 830 N PRO A 52 -10.234 -7.629 -0.087 1.00 0.32 N ATOM 831 CA PRO A 52 -11.616 -7.449 0.355 1.00 0.38 C ATOM 832 C PRO A 52 -12.045 -8.575 1.287 1.00 0.44 C ATOM 833 O PRO A 52 -11.812 -9.752 0.992 1.00 0.51 O ATOM 834 CB PRO A 52 -12.423 -7.507 -0.941 1.00 0.52 C ATOM 835 CG PRO A 52 -11.566 -8.268 -1.892 1.00 0.65 C ATOM 836 CD PRO A 52 -10.148 -7.955 -1.518 1.00 0.45 C ATOM 0 HA PRO A 52 -11.756 -6.521 0.910 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.381 -8.004 -0.788 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.639 -6.507 -1.317 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -11.760 -9.338 -1.821 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -11.771 -7.975 -2.922 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.489 -8.804 -1.697 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.755 -7.119 -2.097 1.00 0.45 H new ATOM 844 N LEU A 53 -12.650 -8.214 2.411 1.00 0.50 N ATOM 845 CA LEU A 53 -13.054 -9.192 3.424 1.00 0.65 C ATOM 846 C LEU A 53 -14.182 -10.100 2.924 1.00 0.81 C ATOM 847 O LEU A 53 -14.627 -10.994 3.638 1.00 1.22 O ATOM 848 CB LEU A 53 -13.486 -8.472 4.708 1.00 0.70 C ATOM 849 CG LEU A 53 -12.438 -8.461 5.829 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.235 -7.618 5.435 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.046 -7.944 7.125 1.00 1.40 C ATOM 0 H LEU A 53 -12.874 -7.248 2.649 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.192 -9.824 3.634 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.742 -7.442 4.460 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.393 -8.945 5.084 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.101 -9.485 5.988 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.505 -7.625 6.245 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.781 -8.030 4.534 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.555 -6.594 5.244 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.288 -7.944 7.908 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.413 -6.929 6.975 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.873 -8.589 7.421 1.00 1.40 H new ATOM 863 N ILE A 54 -14.621 -9.886 1.690 1.00 0.85 N ATOM 864 CA ILE A 54 -15.672 -10.707 1.100 1.00 1.01 C ATOM 865 C ILE A 54 -15.106 -11.692 0.078 1.00 1.08 C ATOM 866 O ILE A 54 -15.760 -12.668 -0.279 1.00 1.34 O ATOM 867 CB ILE A 54 -16.758 -9.851 0.413 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.239 -8.441 0.110 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.999 -9.786 1.286 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.904 -7.790 -1.083 1.00 1.46 C ATOM 0 H ILE A 54 -14.266 -9.151 1.078 1.00 0.85 H new ATOM 0 HA ILE A 54 -16.123 -11.257 1.926 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.017 -10.322 -0.535 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.390 -7.812 0.987 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.164 -8.489 -0.066 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.759 -9.180 0.793 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -18.385 -10.793 1.446 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -17.745 -9.338 2.247 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.485 -6.795 -1.235 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.731 -8.397 -1.972 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.976 -7.708 -0.902 1.00 1.46 H new ATOM 882 N LEU A 55 -13.907 -11.418 -0.420 1.00 0.95 N ATOM 883 CA LEU A 55 -13.295 -12.277 -1.433 1.00 1.10 C ATOM 884 C LEU A 55 -12.090 -13.004 -0.860 1.00 1.12 C ATOM 885 O LEU A 55 -11.800 -14.136 -1.246 1.00 1.51 O ATOM 886 CB LEU A 55 -12.864 -11.459 -2.656 1.00 1.25 C ATOM 887 CG LEU A 55 -13.990 -10.994 -3.585 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.089 -12.040 -3.686 1.00 1.69 C ATOM 889 CD2 LEU A 55 -14.554 -9.670 -3.102 1.00 2.11 C ATOM 0 H LEU A 55 -13.341 -10.616 -0.144 1.00 0.95 H new ATOM 0 HA LEU A 55 -14.041 -13.008 -1.743 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -12.321 -10.580 -2.307 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.163 -12.056 -3.239 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.572 -10.855 -4.582 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -15.873 -11.681 -4.352 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -14.674 -12.967 -4.081 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.509 -12.223 -2.697 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -15.353 -9.350 -3.770 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -14.950 -9.789 -2.093 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.764 -8.919 -3.095 1.00 2.11 H new ATOM 901 N ASP A 56 -11.389 -12.330 0.048 1.00 1.38 N ATOM 902 CA ASP A 56 -10.192 -12.878 0.692 1.00 1.54 C ATOM 903 C ASP A 56 -9.131 -13.246 -0.341 1.00 1.19 C ATOM 904 O ASP A 56 -8.504 -14.300 -0.261 1.00 1.44 O ATOM 905 CB ASP A 56 -10.536 -14.099 1.556 1.00 2.08 C ATOM 906 CG ASP A 56 -9.501 -14.354 2.637 1.00 2.58 C ATOM 907 OD1 ASP A 56 -9.425 -13.556 3.592 1.00 2.90 O ATOM 908 OD2 ASP A 56 -8.759 -15.355 2.540 1.00 2.89 O ATOM 0 H ASP A 56 -11.632 -11.390 0.360 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.787 -12.101 1.341 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -11.511 -13.950 2.019 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -10.617 -14.980 0.919 1.00 2.08 H new ATOM 913 N GLN A 57 -8.902 -12.353 -1.292 1.00 0.83 N ATOM 914 CA GLN A 57 -7.887 -12.574 -2.307 1.00 0.93 C ATOM 915 C GLN A 57 -6.917 -11.403 -2.342 1.00 0.79 C ATOM 916 O GLN A 57 -7.316 -10.253 -2.156 1.00 0.82 O ATOM 917 CB GLN A 57 -8.531 -12.779 -3.674 1.00 1.30 C ATOM 918 CG GLN A 57 -9.140 -14.158 -3.851 1.00 1.81 C ATOM 919 CD GLN A 57 -10.381 -14.134 -4.716 1.00 2.19 C ATOM 920 OE1 GLN A 57 -10.305 -13.871 -5.913 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.531 -14.411 -4.121 1.00 2.43 N ATOM 0 H GLN A 57 -9.405 -11.470 -1.381 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.332 -13.478 -2.054 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -9.306 -12.026 -3.819 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -7.781 -12.619 -4.449 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -8.402 -14.824 -4.298 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.390 -14.570 -2.873 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.551 -14.624 -3.124 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -12.397 -14.411 -4.660 1.00 2.43 H new ATOM 930 N TRP A 58 -5.640 -11.715 -2.483 1.00 0.73 N ATOM 931 CA TRP A 58 -4.596 -10.717 -2.441 1.00 0.63 C ATOM 932 C TRP A 58 -4.342 -10.136 -3.821 1.00 0.67 C ATOM 933 O TRP A 58 -4.672 -10.751 -4.834 1.00 0.76 O ATOM 934 CB TRP A 58 -3.321 -11.342 -1.881 1.00 0.71 C ATOM 935 CG TRP A 58 -3.159 -11.120 -0.411 1.00 0.70 C ATOM 936 CD1 TRP A 58 -2.734 -12.020 0.520 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.425 -9.909 0.295 1.00 0.57 C ATOM 938 NE1 TRP A 58 -2.712 -11.435 1.763 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.128 -10.135 1.648 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.878 -8.652 -0.092 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.275 -9.142 2.616 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.021 -7.674 0.860 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.720 -7.918 2.197 1.00 0.49 C ATOM 0 H TRP A 58 -5.303 -12.666 -2.629 1.00 0.73 H new ATOM 0 HA TRP A 58 -4.914 -9.901 -1.792 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.329 -12.413 -2.082 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.459 -10.926 -2.403 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.456 -13.042 0.311 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.432 -11.894 2.630 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.114 -8.449 -1.126 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.047 -9.332 3.654 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.374 -6.696 0.566 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.840 -7.124 2.919 1.00 0.49 H new ATOM 954 N GLN A 59 -3.787 -8.935 -3.854 1.00 0.70 N ATOM 955 CA GLN A 59 -3.520 -8.257 -5.111 1.00 0.79 C ATOM 956 C GLN A 59 -2.038 -7.935 -5.244 1.00 0.95 C ATOM 957 O GLN A 59 -1.252 -8.205 -4.333 1.00 1.64 O ATOM 958 CB GLN A 59 -4.345 -6.976 -5.193 1.00 1.06 C ATOM 959 CG GLN A 59 -5.353 -6.974 -6.328 1.00 1.36 C ATOM 960 CD GLN A 59 -6.453 -7.992 -6.124 1.00 1.68 C ATOM 961 OE1 GLN A 59 -7.048 -8.070 -5.050 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.733 -8.775 -7.150 1.00 2.14 N ATOM 0 H GLN A 59 -3.513 -8.410 -3.024 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.802 -8.918 -5.930 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.872 -6.832 -4.250 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.672 -6.127 -5.315 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -5.793 -5.981 -6.418 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.839 -7.181 -7.267 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -6.215 -8.677 -8.023 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.468 -9.478 -7.069 1.00 2.14 H new ATOM 971 N HIS A 60 -1.658 -7.373 -6.381 1.00 0.80 N ATOM 972 CA HIS A 60 -0.273 -7.014 -6.629 1.00 1.11 C ATOM 973 C HIS A 60 -0.190 -5.738 -7.463 1.00 0.88 C ATOM 974 O HIS A 60 -0.001 -5.782 -8.679 1.00 1.12 O ATOM 975 CB HIS A 60 0.461 -8.177 -7.327 1.00 1.75 C ATOM 976 CG HIS A 60 1.879 -7.878 -7.735 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.468 -8.440 -8.847 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.822 -7.070 -7.185 1.00 2.11 C ATOM 979 CE1 HIS A 60 3.703 -7.993 -8.967 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.943 -7.161 -7.973 1.00 2.58 N ATOM 0 H HIS A 60 -2.293 -7.155 -7.149 1.00 0.80 H new ATOM 0 HA HIS A 60 0.216 -6.823 -5.674 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.465 -9.038 -6.659 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.104 -8.464 -8.214 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.711 -6.469 -6.295 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.399 -8.263 -9.747 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.820 -6.665 -7.815 1.00 2.58 H new ATOM 989 N VAL A 61 -0.268 -4.604 -6.791 1.00 0.60 N ATOM 990 CA VAL A 61 -0.099 -3.319 -7.444 1.00 0.59 C ATOM 991 C VAL A 61 1.298 -2.784 -7.155 1.00 0.51 C ATOM 992 O VAL A 61 1.619 -2.444 -6.017 1.00 0.55 O ATOM 993 CB VAL A 61 -1.158 -2.297 -6.978 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.945 -0.948 -7.653 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.559 -2.822 -7.254 1.00 1.48 C ATOM 0 H VAL A 61 -0.448 -4.547 -5.789 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.229 -3.464 -8.516 1.00 0.59 H new ATOM 0 HB VAL A 61 -1.048 -2.156 -5.903 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.703 -0.245 -7.308 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.044 -0.567 -7.400 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.023 -1.066 -8.734 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -3.294 -2.090 -6.920 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.679 -2.994 -8.324 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.709 -3.758 -6.717 1.00 1.48 H new ATOM 1005 N GLU A 62 2.155 -2.822 -8.162 1.00 0.81 N ATOM 1006 CA GLU A 62 3.542 -2.417 -7.999 1.00 1.05 C ATOM 1007 C GLU A 62 3.704 -0.929 -8.264 1.00 0.71 C ATOM 1008 O GLU A 62 3.804 -0.498 -9.414 1.00 0.80 O ATOM 1009 CB GLU A 62 4.441 -3.219 -8.936 1.00 1.61 C ATOM 1010 CG GLU A 62 5.800 -3.539 -8.340 1.00 2.42 C ATOM 1011 CD GLU A 62 6.425 -4.768 -8.953 1.00 3.17 C ATOM 1012 OE1 GLU A 62 7.106 -4.634 -9.991 1.00 3.63 O ATOM 1013 OE2 GLU A 62 6.243 -5.871 -8.400 1.00 3.60 O ATOM 0 H GLU A 62 1.914 -3.130 -9.104 1.00 0.81 H new ATOM 0 HA GLU A 62 3.837 -2.617 -6.969 1.00 1.05 H new ATOM 0 HB2 GLU A 62 3.940 -4.150 -9.200 1.00 1.61 H new ATOM 0 HB3 GLU A 62 4.581 -2.659 -9.861 1.00 1.61 H new ATOM 0 HG2 GLU A 62 6.465 -2.687 -8.483 1.00 2.42 H new ATOM 0 HG3 GLU A 62 5.696 -3.686 -7.265 1.00 2.42 H new ATOM 1020 N LEU A 63 3.735 -0.153 -7.196 1.00 0.61 N ATOM 1021 CA LEU A 63 3.896 1.286 -7.299 1.00 0.71 C ATOM 1022 C LEU A 63 5.355 1.645 -7.537 1.00 0.75 C ATOM 1023 O LEU A 63 6.230 1.301 -6.742 1.00 0.94 O ATOM 1024 CB LEU A 63 3.385 1.970 -6.032 1.00 0.97 C ATOM 1025 CG LEU A 63 1.880 1.851 -5.799 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.596 1.143 -4.486 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.231 3.225 -5.817 1.00 1.18 C ATOM 0 H LEU A 63 3.650 -0.499 -6.240 1.00 0.61 H new ATOM 0 HA LEU A 63 3.310 1.637 -8.148 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.905 1.547 -5.173 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.649 3.027 -6.075 1.00 0.97 H new ATOM 0 HG LEU A 63 1.452 1.256 -6.606 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.519 1.068 -4.339 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.029 0.143 -4.511 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.036 1.709 -3.665 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.159 3.123 -5.650 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.664 3.842 -5.030 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.404 3.696 -6.784 1.00 1.18 H new ATOM 1039 N SER A 64 5.611 2.312 -8.651 1.00 0.78 N ATOM 1040 CA SER A 64 6.955 2.708 -9.023 1.00 0.89 C ATOM 1041 C SER A 64 7.439 3.880 -8.169 1.00 0.82 C ATOM 1042 O SER A 64 8.608 3.934 -7.779 1.00 1.57 O ATOM 1043 CB SER A 64 6.978 3.082 -10.505 1.00 1.13 C ATOM 1044 OG SER A 64 5.867 2.510 -11.187 1.00 1.36 O ATOM 0 H SER A 64 4.893 2.592 -9.320 1.00 0.78 H new ATOM 0 HA SER A 64 7.631 1.871 -8.848 1.00 0.89 H new ATOM 0 HB2 SER A 64 6.957 4.167 -10.612 1.00 1.13 H new ATOM 0 HB3 SER A 64 7.907 2.735 -10.958 1.00 1.13 H new ATOM 0 HG SER A 64 5.899 2.762 -12.133 1.00 1.36 H new ATOM 1050 N ASN A 65 6.541 4.823 -7.891 1.00 1.03 N ATOM 1051 CA ASN A 65 6.890 6.007 -7.109 1.00 0.94 C ATOM 1052 C ASN A 65 5.649 6.654 -6.507 1.00 0.82 C ATOM 1053 O ASN A 65 5.567 7.878 -6.395 1.00 1.16 O ATOM 1054 CB ASN A 65 7.618 7.026 -7.986 1.00 1.03 C ATOM 1055 CG ASN A 65 8.982 7.400 -7.441 1.00 1.41 C ATOM 1056 OD1 ASN A 65 9.249 8.567 -7.140 1.00 2.04 O ATOM 1057 ND2 ASN A 65 9.854 6.415 -7.319 1.00 1.97 N ATOM 0 H ASN A 65 5.568 4.790 -8.195 1.00 1.03 H new ATOM 0 HA ASN A 65 7.545 5.688 -6.299 1.00 0.94 H new ATOM 0 HB2 ASN A 65 7.732 6.619 -8.991 1.00 1.03 H new ATOM 0 HB3 ASN A 65 7.008 7.925 -8.074 1.00 1.03 H new ATOM 0 HD21 ASN A 65 10.791 6.605 -6.964 1.00 1.97 H new ATOM 0 HD22 ASN A 65 9.590 5.465 -7.580 1.00 1.97 H new ATOM 1064 N GLY A 66 4.681 5.835 -6.130 1.00 0.69 N ATOM 1065 CA GLY A 66 3.455 6.361 -5.564 1.00 0.66 C ATOM 1066 C GLY A 66 3.439 6.286 -4.053 1.00 0.61 C ATOM 1067 O GLY A 66 3.743 5.241 -3.478 1.00 0.87 O ATOM 0 H GLY A 66 4.720 4.818 -6.205 1.00 0.69 H new ATOM 0 HA2 GLY A 66 3.330 7.398 -5.875 1.00 0.66 H new ATOM 0 HA3 GLY A 66 2.606 5.805 -5.962 1.00 0.66 H new ATOM 1071 N THR A 67 3.080 7.390 -3.412 1.00 0.40 N ATOM 1072 CA THR A 67 2.991 7.444 -1.958 1.00 0.41 C ATOM 1073 C THR A 67 1.536 7.527 -1.513 1.00 0.36 C ATOM 1074 O THR A 67 1.193 7.148 -0.394 1.00 0.39 O ATOM 1075 CB THR A 67 3.758 8.651 -1.390 1.00 0.57 C ATOM 1076 OG1 THR A 67 3.919 9.653 -2.405 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.120 8.227 -0.867 1.00 0.70 C ATOM 0 H THR A 67 2.844 8.266 -3.879 1.00 0.40 H new ATOM 0 HA THR A 67 3.442 6.529 -1.574 1.00 0.41 H new ATOM 0 HB THR A 67 3.181 9.064 -0.562 1.00 0.57 H new ATOM 0 HG1 THR A 67 4.407 10.418 -2.035 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.644 9.096 -0.470 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.992 7.488 -0.076 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.702 7.792 -1.679 1.00 0.70 H new ATOM 1085 N ALA A 68 0.685 8.020 -2.400 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.735 8.136 -2.118 1.00 0.47 C ATOM 1087 C ALA A 68 -1.537 7.411 -3.186 1.00 0.47 C ATOM 1088 O ALA A 68 -1.870 7.984 -4.226 1.00 0.55 O ATOM 1089 CB ALA A 68 -1.147 9.598 -2.039 1.00 0.59 C ATOM 0 H ALA A 68 0.957 8.348 -3.327 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.940 7.674 -1.152 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -2.214 9.664 -1.827 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.588 10.091 -1.244 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.935 10.088 -2.989 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.822 6.144 -2.942 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.575 5.347 -3.898 1.00 0.45 C ATOM 1097 C HIS A 69 -4.062 5.423 -3.609 1.00 0.40 C ATOM 1098 O HIS A 69 -4.614 4.601 -2.879 1.00 0.80 O ATOM 1099 CB HIS A 69 -2.116 3.889 -3.904 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.435 3.177 -5.184 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.160 3.703 -6.428 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.020 1.977 -5.409 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.561 2.859 -7.361 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.087 1.803 -6.769 1.00 0.75 N ATOM 0 H HIS A 69 -1.546 5.646 -2.096 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.385 5.764 -4.887 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -1.040 3.852 -3.733 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.588 3.362 -3.075 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.369 1.285 -4.657 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.473 3.007 -8.427 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.479 0.990 -7.244 1.00 0.75 H new ATOM 1113 N THR A 70 -4.704 6.398 -4.213 1.00 0.41 N ATOM 1114 CA THR A 70 -6.137 6.582 -4.079 1.00 0.44 C ATOM 1115 C THR A 70 -6.890 5.628 -5.003 1.00 0.47 C ATOM 1116 O THR A 70 -7.176 5.957 -6.153 1.00 0.72 O ATOM 1117 CB THR A 70 -6.527 8.031 -4.408 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.356 8.859 -4.389 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.552 8.556 -3.416 1.00 0.84 C ATOM 0 H THR A 70 -4.250 7.087 -4.812 1.00 0.41 H new ATOM 0 HA THR A 70 -6.409 6.365 -3.046 1.00 0.44 H new ATOM 0 HB THR A 70 -6.974 8.054 -5.402 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.605 9.783 -4.601 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.812 9.584 -3.671 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.447 7.935 -3.455 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.133 8.526 -2.410 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.151 4.425 -4.512 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.807 3.396 -5.311 1.00 0.44 C ATOM 1129 C ILE A 71 -9.323 3.522 -5.250 1.00 0.34 C ATOM 1130 O ILE A 71 -9.911 3.504 -4.173 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.423 1.966 -4.863 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.581 1.987 -3.582 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.680 1.249 -5.980 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.402 0.624 -2.948 1.00 0.70 C ATOM 0 H ILE A 71 -6.918 4.136 -3.562 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.460 3.554 -6.332 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.342 1.423 -4.644 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.600 2.403 -3.810 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.051 2.655 -2.860 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.415 0.243 -5.654 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.319 1.188 -6.861 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.773 1.801 -6.227 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.796 0.719 -2.047 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.377 0.213 -2.688 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -5.904 -0.042 -3.652 1.00 0.70 H new ATOM 1146 N THR A 72 -9.947 3.553 -6.416 1.00 0.37 N ATOM 1147 CA THR A 72 -11.402 3.571 -6.521 1.00 0.33 C ATOM 1148 C THR A 72 -11.929 2.152 -6.720 1.00 0.31 C ATOM 1149 O THR A 72 -13.038 1.940 -7.209 1.00 0.33 O ATOM 1150 CB THR A 72 -11.860 4.449 -7.702 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.807 5.349 -8.086 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.105 5.244 -7.341 1.00 1.22 C ATOM 0 H THR A 72 -9.464 3.566 -7.315 1.00 0.37 H new ATOM 0 HA THR A 72 -11.800 3.988 -5.596 1.00 0.33 H new ATOM 0 HB THR A 72 -12.099 3.792 -8.538 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.107 5.901 -8.838 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.406 5.855 -8.192 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.912 4.559 -7.082 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.890 5.889 -6.489 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.092 1.188 -6.382 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.426 -0.223 -6.526 1.00 0.40 C ATOM 1162 C ASP A 73 -11.928 -0.796 -5.213 1.00 0.39 C ATOM 1163 O ASP A 73 -12.083 -2.010 -5.068 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.206 -1.007 -7.012 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.577 -2.269 -7.769 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.784 -2.505 -7.977 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -9.670 -3.034 -8.164 1.00 1.21 O ATOM 0 H ASP A 73 -10.162 1.358 -6.000 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.222 -0.313 -7.265 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.603 -0.367 -7.656 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.586 -1.272 -6.155 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.033 0.061 -4.213 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.354 -0.389 -2.875 1.00 0.33 C ATOM 1174 C ALA A 74 -13.854 -0.386 -2.641 1.00 0.35 C ATOM 1175 O ALA A 74 -14.560 0.524 -3.062 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.638 0.466 -1.849 1.00 0.36 C ATOM 0 H ALA A 74 -11.901 1.068 -4.304 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.009 -1.417 -2.766 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.888 0.117 -0.847 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.561 0.392 -2.001 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -11.949 1.505 -1.960 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.333 -1.418 -1.979 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.751 -1.561 -1.710 1.00 0.52 C ATOM 1184 C TYR A 75 -16.108 -0.904 -0.386 1.00 0.46 C ATOM 1185 O TYR A 75 -15.569 -1.258 0.655 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.134 -3.042 -1.684 1.00 0.71 C ATOM 1187 CG TYR A 75 -17.610 -3.299 -1.874 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -18.295 -2.736 -2.942 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -18.318 -4.096 -0.985 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -19.644 -2.964 -3.121 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -19.668 -4.327 -1.158 1.00 2.26 C ATOM 1192 CZ TYR A 75 -20.320 -3.787 -2.219 1.00 2.21 C ATOM 1193 OH TYR A 75 -21.670 -3.983 -2.400 1.00 2.86 O ATOM 0 H TYR A 75 -13.757 -2.177 -1.614 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.309 -1.066 -2.505 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.581 -3.563 -2.466 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -15.821 -3.471 -0.732 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.764 -2.110 -3.644 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -17.805 -4.542 -0.146 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -20.170 -2.511 -3.949 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -20.206 -4.938 -0.448 1.00 2.26 H new ATOM 0 HH TYR A 75 -22.011 -4.578 -1.700 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.999 0.072 -0.438 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.433 0.785 0.756 1.00 0.57 C ATOM 1205 C ALA A 76 -18.327 -0.094 1.626 1.00 0.50 C ATOM 1206 O ALA A 76 -18.628 0.243 2.771 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.171 2.054 0.364 1.00 0.74 C ATOM 0 H ALA A 76 -17.440 0.392 -1.300 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.549 1.048 1.336 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.492 2.581 1.263 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.508 2.696 -0.216 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.043 1.797 -0.237 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.786 -1.195 1.054 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.696 -2.071 1.761 1.00 0.55 C ATOM 1215 C GLY A 77 -18.987 -3.150 2.556 1.00 0.48 C ATOM 1216 O GLY A 77 -19.605 -3.823 3.381 1.00 0.58 O ATOM 0 H GLY A 77 -18.544 -1.499 0.111 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.312 -1.477 2.436 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.370 -2.540 1.044 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.691 -3.319 2.321 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.919 -4.334 3.028 1.00 0.49 C ATOM 1222 C LYS A 78 -15.456 -3.931 3.141 1.00 0.43 C ATOM 1223 O LYS A 78 -14.894 -3.334 2.226 1.00 0.61 O ATOM 1224 CB LYS A 78 -17.038 -5.688 2.325 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.301 -6.841 3.281 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.784 -6.978 3.592 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.057 -6.858 5.084 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.087 -5.827 5.383 1.00 2.32 N ATOM 0 H LYS A 78 -17.155 -2.769 1.650 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.329 -4.422 4.034 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.845 -5.640 1.594 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.119 -5.885 1.773 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.932 -7.769 2.844 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -16.747 -6.682 4.206 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.341 -6.209 3.057 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -19.144 -7.942 3.232 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.387 -7.822 5.470 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -18.132 -6.607 5.602 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -19.964 -5.485 6.357 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -19.984 -5.031 4.721 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.035 -6.243 5.279 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.874 -4.210 4.298 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.503 -3.824 4.604 1.00 0.43 C ATOM 1244 C GLU A 79 -12.504 -4.336 3.569 1.00 0.37 C ATOM 1245 O GLU A 79 -12.583 -5.479 3.108 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.115 -4.344 5.987 1.00 0.59 C ATOM 1247 CG GLU A 79 -11.895 -3.658 6.574 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.257 -2.569 7.562 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -13.264 -2.721 8.282 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -11.528 -1.561 7.635 1.00 2.05 O ATOM 0 H GLU A 79 -15.340 -4.712 5.054 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.465 -2.735 4.584 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.958 -4.211 6.665 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.923 -5.415 5.923 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.269 -4.400 7.070 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -11.301 -3.228 5.767 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.517 -3.500 3.290 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.420 -3.845 2.406 1.00 0.38 C ATOM 1259 C TYR A 80 -9.106 -3.720 3.163 1.00 0.41 C ATOM 1260 O TYR A 80 -8.686 -2.611 3.499 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.396 -2.907 1.199 1.00 0.43 C ATOM 1262 CG TYR A 80 -11.114 -3.440 -0.017 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.464 -3.760 0.031 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.442 -3.608 -1.217 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -13.122 -4.234 -1.084 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -11.095 -4.080 -2.339 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.435 -4.391 -2.266 1.00 0.66 C ATOM 1268 OH TYR A 80 -13.095 -4.860 -3.380 1.00 0.85 O ATOM 0 H TYR A 80 -11.456 -2.557 3.674 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.555 -4.869 2.058 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.846 -1.956 1.484 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.359 -2.702 0.933 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -13.007 -3.636 0.956 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.391 -3.366 -1.276 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -14.172 -4.481 -1.030 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.558 -4.204 -3.268 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.470 -4.913 -4.133 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.462 -4.841 3.443 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.185 -4.805 4.140 1.00 0.33 C ATOM 1280 C ILE A 81 -6.046 -4.647 3.137 1.00 0.29 C ATOM 1281 O ILE A 81 -5.845 -5.491 2.263 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.956 -6.046 5.041 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.519 -6.069 5.567 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.273 -7.332 4.301 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.408 -5.671 7.021 1.00 1.11 C ATOM 0 H ILE A 81 -8.795 -5.775 3.203 1.00 0.31 H new ATOM 0 HA ILE A 81 -7.205 -3.941 4.805 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.637 -5.973 5.889 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -5.109 -7.071 5.439 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.908 -5.396 4.966 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.102 -8.183 4.960 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.316 -7.322 3.984 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.629 -7.416 3.426 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.363 -5.709 7.330 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.789 -4.658 7.151 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.992 -6.359 7.632 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.408 -3.491 3.179 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.373 -3.151 2.223 1.00 0.30 C ATOM 1299 C ILE A 82 -2.989 -3.337 2.830 1.00 0.32 C ATOM 1300 O ILE A 82 -2.565 -2.568 3.691 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.525 -1.700 1.721 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.970 -1.433 1.293 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.573 -1.435 0.567 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.438 -0.024 1.580 1.00 0.64 C ATOM 0 H ILE A 82 -5.592 -2.766 3.873 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.484 -3.827 1.375 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.274 -1.023 2.538 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.065 -1.628 0.225 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.627 -2.136 1.805 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.693 -0.407 0.225 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.546 -1.589 0.899 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.795 -2.118 -0.252 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.470 0.091 1.250 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.376 0.169 2.651 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.805 0.685 1.046 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.294 -4.362 2.379 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.952 -4.640 2.852 1.00 0.34 C ATOM 1318 C GLN A 83 0.074 -3.980 1.941 1.00 0.29 C ATOM 1319 O GLN A 83 0.012 -4.125 0.720 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.704 -6.145 2.909 1.00 0.44 C ATOM 1321 CG GLN A 83 0.529 -6.526 3.710 1.00 0.60 C ATOM 1322 CD GLN A 83 0.210 -7.449 4.869 1.00 0.71 C ATOM 1323 OE1 GLN A 83 0.694 -7.103 6.052 1.00 1.59 O flip ATOM 1324 NE2 GLN A 83 -0.465 -8.464 4.703 1.00 0.64 N flip ATOM 0 H GLN A 83 -2.639 -5.021 1.681 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.851 -4.231 3.857 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.576 -6.633 3.345 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.600 -6.527 1.893 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.249 -7.011 3.052 1.00 0.60 H new ATOM 0 HG3 GLN A 83 1.004 -5.622 4.091 1.00 0.60 H new ATOM 0 HE21 GLN A 83 -0.819 -8.695 3.775 1.00 0.64 H new ATOM 0 HE22 GLN A 83 -0.670 -9.075 5.494 1.00 0.64 H new ATOM 1333 N VAL A 84 0.955 -3.191 2.536 1.00 0.28 N ATOM 1334 CA VAL A 84 1.955 -2.443 1.788 1.00 0.28 C ATOM 1335 C VAL A 84 3.369 -2.913 2.143 1.00 0.28 C ATOM 1336 O VAL A 84 3.694 -3.097 3.320 1.00 0.32 O ATOM 1337 CB VAL A 84 1.834 -0.928 2.069 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.773 -0.130 1.175 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.398 -0.461 1.884 1.00 0.51 C ATOM 0 H VAL A 84 0.998 -3.051 3.545 1.00 0.28 H new ATOM 0 HA VAL A 84 1.775 -2.625 0.729 1.00 0.28 H new ATOM 0 HB VAL A 84 2.124 -0.755 3.105 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.668 0.933 1.393 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.802 -0.438 1.361 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.523 -0.312 0.130 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.334 0.608 2.087 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.081 -0.656 0.859 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.252 -1.000 2.573 1.00 0.51 H new ATOM 1349 N ALA A 85 4.206 -3.083 1.122 1.00 0.31 N ATOM 1350 CA ALA A 85 5.598 -3.485 1.310 1.00 0.36 C ATOM 1351 C ALA A 85 6.513 -2.639 0.426 1.00 0.30 C ATOM 1352 O ALA A 85 6.030 -1.877 -0.412 1.00 0.37 O ATOM 1353 CB ALA A 85 5.775 -4.964 0.999 1.00 0.49 C ATOM 0 H ALA A 85 3.941 -2.947 0.147 1.00 0.31 H new ATOM 0 HA ALA A 85 5.870 -3.321 2.353 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.818 -5.244 1.145 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.144 -5.554 1.664 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.489 -5.155 -0.035 1.00 0.49 H new ATOM 1359 N ALA A 86 7.823 -2.748 0.628 1.00 0.35 N ATOM 1360 CA ALA A 86 8.781 -1.943 -0.130 1.00 0.45 C ATOM 1361 C ALA A 86 9.951 -2.778 -0.650 1.00 0.40 C ATOM 1362 O ALA A 86 10.292 -3.812 -0.077 1.00 0.55 O ATOM 1363 CB ALA A 86 9.298 -0.806 0.739 1.00 0.70 C ATOM 0 H ALA A 86 8.246 -3.382 1.306 1.00 0.35 H new ATOM 0 HA ALA A 86 8.259 -1.539 -0.997 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.011 -0.209 0.171 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.464 -0.177 1.049 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.790 -1.217 1.621 1.00 0.70 H new ATOM 1369 N LYS A 87 10.569 -2.308 -1.736 1.00 0.46 N ATOM 1370 CA LYS A 87 11.715 -2.982 -2.350 1.00 0.49 C ATOM 1371 C LYS A 87 12.411 -2.024 -3.322 1.00 0.61 C ATOM 1372 O LYS A 87 11.747 -1.231 -3.979 1.00 0.80 O ATOM 1373 CB LYS A 87 11.243 -4.248 -3.082 1.00 0.62 C ATOM 1374 CG LYS A 87 12.262 -4.847 -4.039 1.00 0.69 C ATOM 1375 CD LYS A 87 11.649 -5.114 -5.403 1.00 0.91 C ATOM 1376 CE LYS A 87 12.680 -5.647 -6.386 1.00 1.08 C ATOM 1377 NZ LYS A 87 12.135 -5.731 -7.766 1.00 1.33 N ATOM 0 H LYS A 87 10.290 -1.451 -2.214 1.00 0.46 H new ATOM 0 HA LYS A 87 12.425 -3.275 -1.577 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.975 -5.001 -2.341 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.336 -4.012 -3.639 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.108 -4.168 -4.145 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.650 -5.777 -3.624 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.836 -5.833 -5.303 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.215 -4.194 -5.794 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.557 -4.999 -6.380 1.00 1.08 H new ATOM 0 HE3 LYS A 87 13.011 -6.635 -6.065 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 12.867 -6.098 -8.407 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 11.314 -6.369 -7.777 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 11.842 -4.784 -8.082 1.00 1.33 H new ATOM 1391 N ASP A 88 13.740 -2.067 -3.385 1.00 0.67 N ATOM 1392 CA ASP A 88 14.490 -1.173 -4.276 1.00 0.81 C ATOM 1393 C ASP A 88 14.294 -1.575 -5.742 1.00 0.90 C ATOM 1394 O ASP A 88 13.879 -2.696 -6.040 1.00 1.00 O ATOM 1395 CB ASP A 88 15.983 -1.171 -3.924 1.00 0.96 C ATOM 1396 CG ASP A 88 16.792 -0.277 -4.846 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.530 0.942 -4.884 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.720 -0.783 -5.508 1.00 1.42 O ATOM 0 H ASP A 88 14.319 -2.703 -2.837 1.00 0.67 H new ATOM 0 HA ASP A 88 14.102 -0.164 -4.137 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.111 -0.837 -2.894 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.368 -2.189 -3.979 1.00 0.96 H new ATOM 1403 N ASN A 89 14.510 -0.633 -6.646 1.00 1.00 N ATOM 1404 CA ASN A 89 14.267 -0.866 -8.064 1.00 1.17 C ATOM 1405 C ASN A 89 15.464 -1.515 -8.758 1.00 1.27 C ATOM 1406 O ASN A 89 15.294 -2.259 -9.726 1.00 1.46 O ATOM 1407 CB ASN A 89 13.925 0.453 -8.760 1.00 1.30 C ATOM 1408 CG ASN A 89 13.074 0.262 -10.005 1.00 1.53 C ATOM 1409 OD1 ASN A 89 13.503 -0.354 -10.982 1.00 1.91 O ATOM 1410 ND2 ASN A 89 11.862 0.794 -9.982 1.00 1.75 N ATOM 0 H ASN A 89 14.853 0.302 -6.425 1.00 1.00 H new ATOM 0 HA ASN A 89 13.427 -1.557 -8.138 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.396 1.101 -8.061 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.848 0.964 -9.032 1.00 1.30 H new ATOM 0 HD21 ASN A 89 11.249 0.701 -10.792 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.542 1.297 -9.155 1.00 1.75 H new ATOM 1417 N GLU A 90 16.671 -1.216 -8.301 1.00 1.29 N ATOM 1418 CA GLU A 90 17.867 -1.708 -8.967 1.00 1.46 C ATOM 1419 C GLU A 90 18.417 -2.934 -8.262 1.00 1.44 C ATOM 1420 O GLU A 90 18.580 -3.995 -8.865 1.00 1.57 O ATOM 1421 CB GLU A 90 18.931 -0.613 -9.018 1.00 1.60 C ATOM 1422 CG GLU A 90 18.412 0.716 -9.539 1.00 1.82 C ATOM 1423 CD GLU A 90 18.758 0.949 -10.995 1.00 1.96 C ATOM 1424 OE1 GLU A 90 19.829 0.480 -11.440 1.00 2.17 O ATOM 1425 OE2 GLU A 90 17.973 1.618 -11.698 1.00 2.26 O ATOM 0 H GLU A 90 16.847 -0.640 -7.478 1.00 1.29 H new ATOM 0 HA GLU A 90 17.596 -1.991 -9.984 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.339 -0.467 -8.018 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.753 -0.946 -9.652 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.329 0.751 -9.417 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.827 1.524 -8.937 1.00 1.82 H new ATOM 1432 N ILE A 91 18.653 -2.792 -6.972 1.00 1.38 N ATOM 1433 CA ILE A 91 19.153 -3.881 -6.154 1.00 1.45 C ATOM 1434 C ILE A 91 18.159 -4.184 -5.047 1.00 1.48 C ATOM 1435 O ILE A 91 18.483 -4.109 -3.859 1.00 1.79 O ATOM 1436 CB ILE A 91 20.521 -3.547 -5.524 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.971 -2.130 -5.892 1.00 2.02 C ATOM 1438 CG2 ILE A 91 21.567 -4.562 -5.957 1.00 1.69 C ATOM 1439 CD1 ILE A 91 21.149 -1.224 -4.694 1.00 2.51 C ATOM 0 H ILE A 91 18.504 -1.921 -6.462 1.00 1.38 H new ATOM 0 HA ILE A 91 19.280 -4.748 -6.802 1.00 1.45 H new ATOM 0 HB ILE A 91 20.411 -3.595 -4.441 1.00 1.63 H new ATOM 0 HG12 ILE A 91 21.913 -2.187 -6.438 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.238 -1.688 -6.566 1.00 2.02 H new ATOM 0 HG21 ILE A 91 22.526 -4.312 -5.504 1.00 1.69 H new ATOM 0 HG22 ILE A 91 21.262 -5.558 -5.635 1.00 1.69 H new ATOM 0 HG23 ILE A 91 21.663 -4.545 -7.043 1.00 1.69 H new ATOM 0 HD11 ILE A 91 21.468 -0.237 -5.029 1.00 2.51 H new ATOM 0 HD12 ILE A 91 20.203 -1.137 -4.160 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.904 -1.644 -4.029 1.00 2.51 H new ATOM 1451 N GLY A 92 16.919 -4.407 -5.445 1.00 1.53 N ATOM 1452 CA GLY A 92 15.853 -4.567 -4.488 1.00 1.75 C ATOM 1453 C GLY A 92 15.676 -5.987 -4.006 1.00 1.30 C ATOM 1454 O GLY A 92 15.227 -6.857 -4.753 1.00 1.27 O ATOM 0 H GLY A 92 16.632 -4.480 -6.421 1.00 1.53 H new ATOM 0 HA2 GLY A 92 16.048 -3.923 -3.630 1.00 1.75 H new ATOM 0 HA3 GLY A 92 14.920 -4.226 -4.937 1.00 1.75 H new ATOM 1458 N THR A 93 15.881 -6.172 -2.718 1.00 1.16 N ATOM 1459 CA THR A 93 15.587 -7.429 -2.065 1.00 0.92 C ATOM 1460 C THR A 93 14.136 -7.421 -1.581 1.00 0.81 C ATOM 1461 O THR A 93 13.646 -6.398 -1.096 1.00 0.82 O ATOM 1462 CB THR A 93 16.553 -7.659 -0.883 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.877 -7.872 -1.383 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.136 -8.848 -0.036 1.00 1.62 C ATOM 0 H THR A 93 16.256 -5.456 -2.096 1.00 1.16 H new ATOM 0 HA THR A 93 15.722 -8.245 -2.775 1.00 0.92 H new ATOM 0 HB THR A 93 16.525 -6.771 -0.251 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.491 -8.016 -0.633 1.00 1.75 H new ATOM 0 HG21 THR A 93 16.842 -8.975 0.785 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.138 -8.675 0.367 1.00 1.62 H new ATOM 0 HG23 THR A 93 16.128 -9.748 -0.651 1.00 1.62 H new ATOM 1472 N TRP A 94 13.418 -8.497 -1.862 1.00 0.78 N ATOM 1473 CA TRP A 94 11.997 -8.570 -1.560 1.00 0.75 C ATOM 1474 C TRP A 94 11.751 -8.657 -0.059 1.00 0.74 C ATOM 1475 O TRP A 94 12.065 -9.663 0.579 1.00 0.89 O ATOM 1476 CB TRP A 94 11.369 -9.774 -2.262 1.00 0.82 C ATOM 1477 CG TRP A 94 10.715 -9.419 -3.561 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.338 -9.061 -4.720 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.309 -9.383 -3.831 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.407 -8.805 -5.696 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.153 -8.998 -5.176 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.167 -9.642 -3.068 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.901 -8.866 -5.772 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.925 -9.509 -3.661 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.800 -9.126 -5.001 1.00 1.63 C ATOM 0 H TRP A 94 13.798 -9.336 -2.301 1.00 0.78 H new ATOM 0 HA TRP A 94 11.531 -7.655 -1.927 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.139 -10.524 -2.442 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.630 -10.228 -1.602 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.408 -8.989 -4.851 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.614 -8.518 -6.653 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.253 -9.941 -2.034 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.802 -8.569 -6.806 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.036 -9.704 -3.080 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.816 -9.034 -5.436 1.00 1.63 H new ATOM 1496 N SER A 95 11.182 -7.596 0.491 1.00 0.65 N ATOM 1497 CA SER A 95 10.849 -7.552 1.903 1.00 0.65 C ATOM 1498 C SER A 95 9.536 -8.288 2.162 1.00 0.63 C ATOM 1499 O SER A 95 8.815 -8.644 1.227 1.00 0.72 O ATOM 1500 CB SER A 95 10.745 -6.101 2.368 1.00 0.68 C ATOM 1501 OG SER A 95 11.670 -5.281 1.674 1.00 0.94 O ATOM 0 H SER A 95 10.941 -6.749 -0.024 1.00 0.65 H new ATOM 0 HA SER A 95 11.639 -8.047 2.467 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.732 -5.734 2.203 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.935 -6.044 3.440 1.00 0.68 H new ATOM 0 HG SER A 95 11.190 -4.718 1.032 1.00 0.94 H new ATOM 1507 N ASP A 96 9.224 -8.500 3.432 1.00 0.69 N ATOM 1508 CA ASP A 96 7.999 -9.182 3.815 1.00 0.74 C ATOM 1509 C ASP A 96 6.821 -8.220 3.791 1.00 0.63 C ATOM 1510 O ASP A 96 6.997 -7.000 3.723 1.00 0.53 O ATOM 1511 CB ASP A 96 8.141 -9.792 5.212 1.00 0.94 C ATOM 1512 CG ASP A 96 7.428 -11.123 5.349 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.223 -11.188 5.031 1.00 1.57 O ATOM 1514 OD2 ASP A 96 8.062 -12.112 5.777 1.00 1.94 O ATOM 0 H ASP A 96 9.806 -8.208 4.217 1.00 0.69 H new ATOM 0 HA ASP A 96 7.816 -9.981 3.096 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.199 -9.927 5.438 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.744 -9.095 5.950 1.00 0.94 H new ATOM 1519 N TRP A 97 5.627 -8.771 3.905 1.00 0.76 N ATOM 1520 CA TRP A 97 4.413 -7.978 3.951 1.00 0.73 C ATOM 1521 C TRP A 97 4.323 -7.248 5.283 1.00 0.60 C ATOM 1522 O TRP A 97 4.264 -7.877 6.341 1.00 0.76 O ATOM 1523 CB TRP A 97 3.206 -8.881 3.724 1.00 0.99 C ATOM 1524 CG TRP A 97 3.302 -9.646 2.437 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.269 -11.002 2.279 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.477 -9.095 1.126 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.409 -11.325 0.950 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.538 -10.172 0.223 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.588 -7.794 0.627 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.702 -9.986 -1.149 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.751 -7.611 -0.733 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.806 -8.703 -1.607 1.00 1.26 C ATOM 0 H TRP A 97 5.472 -9.777 3.968 1.00 0.76 H new ATOM 0 HA TRP A 97 4.429 -7.228 3.160 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.117 -9.581 4.555 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.299 -8.277 3.718 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.150 -11.716 3.081 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.416 -12.271 0.568 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.547 -6.945 1.294 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.745 -10.826 -1.826 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.837 -6.609 -1.128 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.933 -8.528 -2.665 1.00 1.26 H new ATOM 1543 N SER A 98 4.570 -5.950 5.232 1.00 0.41 N ATOM 1544 CA SER A 98 4.775 -5.171 6.437 1.00 0.42 C ATOM 1545 C SER A 98 3.474 -4.591 6.997 1.00 0.38 C ATOM 1546 O SER A 98 2.915 -5.128 7.954 1.00 0.46 O ATOM 1547 CB SER A 98 5.780 -4.061 6.141 1.00 0.51 C ATOM 1548 OG SER A 98 6.348 -4.231 4.850 1.00 0.50 O ATOM 0 H SER A 98 4.633 -5.414 4.366 1.00 0.41 H new ATOM 0 HA SER A 98 5.164 -5.836 7.208 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.287 -3.091 6.202 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.568 -4.066 6.894 1.00 0.51 H new ATOM 0 HG SER A 98 7.258 -3.868 4.843 1.00 0.50 H new ATOM 1554 N VAL A 99 3.055 -3.442 6.477 1.00 0.33 N ATOM 1555 CA VAL A 99 1.925 -2.723 7.053 1.00 0.34 C ATOM 1556 C VAL A 99 0.595 -3.134 6.424 1.00 0.32 C ATOM 1557 O VAL A 99 0.313 -2.838 5.264 1.00 0.34 O ATOM 1558 CB VAL A 99 2.115 -1.189 6.949 1.00 0.42 C ATOM 1559 CG1 VAL A 99 2.558 -0.785 5.550 1.00 1.21 C ATOM 1560 CG2 VAL A 99 0.844 -0.450 7.353 1.00 1.32 C ATOM 0 H VAL A 99 3.477 -2.992 5.665 1.00 0.33 H new ATOM 0 HA VAL A 99 1.892 -2.998 8.107 1.00 0.34 H new ATOM 0 HB VAL A 99 2.904 -0.904 7.645 1.00 0.42 H new ATOM 0 HG11 VAL A 99 2.683 0.297 5.506 1.00 1.21 H new ATOM 0 HG12 VAL A 99 3.505 -1.270 5.314 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.803 -1.092 4.826 1.00 1.21 H new ATOM 0 HG21 VAL A 99 1.006 0.625 7.270 1.00 1.32 H new ATOM 0 HG22 VAL A 99 0.027 -0.745 6.695 1.00 1.32 H new ATOM 0 HG23 VAL A 99 0.589 -0.700 8.383 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.229 -3.787 7.226 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.577 -4.153 6.822 1.00 0.41 C ATOM 1572 C ALA A 100 -2.575 -3.082 7.261 1.00 0.43 C ATOM 1573 O ALA A 100 -2.938 -3.007 8.440 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.953 -5.509 7.396 1.00 0.50 C ATOM 0 H ALA A 100 0.016 -4.078 8.172 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.608 -4.222 5.735 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.965 -5.768 7.084 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.256 -6.264 7.032 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.908 -5.469 8.484 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.996 -2.241 6.330 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.927 -1.162 6.633 1.00 0.36 C ATOM 1582 C ALA A 101 -5.304 -1.447 6.048 1.00 0.41 C ATOM 1583 O ALA A 101 -5.507 -1.343 4.841 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.388 0.163 6.107 1.00 0.42 C ATOM 0 H ALA A 101 -2.707 -2.284 5.353 1.00 0.36 H new ATOM 0 HA ALA A 101 -4.029 -1.095 7.716 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.093 0.961 6.340 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.429 0.378 6.577 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.256 0.099 5.027 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.254 -1.804 6.900 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.609 -2.084 6.439 1.00 0.57 C ATOM 1592 C HIS A 102 -8.483 -0.838 6.537 1.00 0.50 C ATOM 1593 O HIS A 102 -8.398 -0.084 7.507 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.241 -3.261 7.212 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.491 -3.015 8.676 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.497 -2.200 9.148 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -7.873 -3.513 9.773 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.483 -2.204 10.466 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -8.509 -2.993 10.874 1.00 2.00 N ATOM 0 H HIS A 102 -6.116 -1.906 7.905 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.545 -2.377 5.391 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -9.188 -3.518 6.738 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -7.590 -4.129 7.113 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -10.151 -1.675 8.567 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -7.035 -4.194 9.781 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -10.157 -1.653 11.105 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.296 -0.614 5.515 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.187 0.539 5.477 1.00 0.54 C ATOM 1610 C ALA A 103 -11.407 0.253 4.612 1.00 0.36 C ATOM 1611 O ALA A 103 -11.569 -0.856 4.099 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.455 1.766 4.960 1.00 0.91 C ATOM 0 H ALA A 103 -9.358 -1.219 4.696 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.524 0.737 6.495 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -10.138 2.615 4.940 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.615 1.992 5.616 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -9.087 1.572 3.953 1.00 0.91 H new ATOM 1618 N THR A 104 -12.293 1.235 4.508 1.00 0.41 N ATOM 1619 CA THR A 104 -13.527 1.098 3.740 1.00 0.38 C ATOM 1620 C THR A 104 -14.009 2.472 3.271 1.00 0.41 C ATOM 1621 O THR A 104 -14.147 3.383 4.086 1.00 0.51 O ATOM 1622 CB THR A 104 -14.639 0.436 4.588 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.065 -0.427 5.578 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.582 -0.365 3.713 1.00 0.70 C ATOM 0 H THR A 104 -12.179 2.146 4.951 1.00 0.41 H new ATOM 0 HA THR A 104 -13.315 0.465 2.878 1.00 0.38 H new ATOM 0 HB THR A 104 -15.201 1.230 5.079 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.780 -0.838 6.108 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.355 -0.820 4.332 1.00 0.70 H new ATOM 0 HG22 THR A 104 -16.047 0.294 2.980 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.024 -1.146 3.196 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.170 2.680 1.945 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.576 3.986 1.392 1.00 0.38 C ATOM 1634 C PRO A 105 -15.944 4.441 1.902 1.00 0.40 C ATOM 1635 O PRO A 105 -16.628 3.704 2.616 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.607 3.731 -0.122 1.00 0.44 C ATOM 1637 CG PRO A 105 -13.635 2.624 -0.310 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.874 1.714 0.867 1.00 0.40 C ATOM 0 HA PRO A 105 -13.897 4.786 1.687 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.604 3.451 -0.461 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.317 4.619 -0.684 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -13.801 2.105 -1.254 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.610 2.993 -0.325 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.705 1.030 0.692 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.001 1.103 1.095 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.313 5.673 1.576 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.573 6.242 2.033 1.00 0.41 C ATOM 1648 C TRP A 106 -18.757 5.436 1.503 1.00 0.48 C ATOM 1649 O TRP A 106 -18.939 5.300 0.296 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.679 7.703 1.586 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.061 8.272 1.693 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.849 8.316 2.808 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.817 8.875 0.641 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -21.050 8.908 2.509 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.055 9.263 1.186 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.568 9.127 -0.711 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.039 9.888 0.426 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.546 9.748 -1.464 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.767 10.125 -0.894 1.00 1.07 C ATOM 0 H TRP A 106 -15.755 6.299 0.995 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.597 6.202 3.122 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.000 8.307 2.188 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.343 7.782 0.552 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.568 7.940 3.781 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.816 9.059 3.166 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.628 8.841 -1.159 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.984 10.176 0.863 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.365 9.946 -2.510 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.510 10.613 -1.508 1.00 1.07 H new ATOM 1670 N THR A 107 -19.541 4.880 2.409 1.00 0.60 N ATOM 1671 CA THR A 107 -20.691 4.084 2.029 1.00 0.75 C ATOM 1672 C THR A 107 -21.888 4.973 1.719 1.00 0.82 C ATOM 1673 O THR A 107 -22.545 5.491 2.622 1.00 0.89 O ATOM 1674 CB THR A 107 -21.058 3.089 3.138 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.877 2.737 3.876 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.695 1.838 2.551 1.00 1.19 C ATOM 0 H THR A 107 -19.401 4.966 3.416 1.00 0.60 H new ATOM 0 HA THR A 107 -20.425 3.527 1.131 1.00 0.75 H new ATOM 0 HB THR A 107 -21.780 3.559 3.806 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.487 1.920 3.500 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.947 1.147 3.355 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.601 2.111 2.010 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.994 1.359 1.867 1.00 1.19 H new