USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1346 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 71 TYR OH : rot 30:sc= 0.958 USER MOD Set 1.2: B 10 LYS NZ :NH3+ 172:sc= 2.35 (180deg=1.03) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -149:sc= 2.06 (180deg=-1.17) USER MOD Set 2.2: B 71 TYR OH : rot -110:sc= 1.06 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 1.29 (180deg=0.908) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -43:sc= 0.011 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0309) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.04) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 80:sc= 1.24 USER MOD Single : A 39 ASN : amide:sc= 1.22 K(o=1.2,f=-1.5!) USER MOD Single : A 42 SER OG : rot 83:sc= 1.3 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 0.444 (180deg=-0.816!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.239 F(o=-2.3!,f=-0.24) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.0779 X(o=0.078,f=-0.15) USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= 1.13 (180deg=-0.236) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= 1.18 (180deg=-0.617) USER MOD Single : A 73 SER OG : rot 74:sc= 0.984 USER MOD Single : A 76 SER OG : rot -170:sc= -0.399 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.186 (180deg=-0.637) USER MOD Single : A 84 THR OG1 : rot 67:sc= 1 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ -123:sc= 1.27 (180deg=0.189) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 79:sc= 0.142 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ -120:sc= 1.12 (180deg=-1.06) USER MOD Single : B 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0102) USER MOD Single : B 37 SER OG : rot 74:sc= 0.319 USER MOD Single : B 39 ASN : amide:sc= 1.13 K(o=1.1,f=-0.47) USER MOD Single : B 42 SER OG : rot 69:sc= 1.25 USER MOD Single : B 44 LYS NZ :NH3+ 173:sc= 1.79 (180deg=1.6) USER MOD Single : B 46 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.248) USER MOD Single : B 47 THR OG1 : rot -93:sc= 1.24 USER MOD Single : B 50 GLN : amide:sc= -0.241! X(o=-0.24!,f=-0.28) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.2!) USER MOD Single : B 57 LYS NZ :NH3+ -120:sc= 1.22 (180deg=-1.08) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 74:sc= 1.23 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.05) USER MOD Single : B 73 SER OG : rot 71:sc= 1.15 USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 162:sc= -0.17 (180deg=-0.554) USER MOD Single : B 84 THR OG1 : rot 73:sc= 1.26 USER MOD Single : B 86 SER OG : rot 180:sc= -0.0337 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -20.513 14.325 -6.288 1.00 1.91 N ATOM 78 CA GLN A 6 -20.108 12.963 -6.604 1.00 1.87 C ATOM 79 C GLN A 6 -18.928 12.962 -7.569 1.00 1.83 C ATOM 80 O GLN A 6 -17.953 12.238 -7.367 1.00 1.77 O ATOM 81 CB GLN A 6 -21.280 12.198 -7.218 1.00 1.89 C ATOM 82 CG GLN A 6 -21.039 10.704 -7.340 1.00 1.95 C ATOM 83 CD GLN A 6 -22.140 10.002 -8.106 1.00 1.96 C ATOM 84 OE1 GLN A 6 -23.278 10.462 -8.144 1.00 2.22 O ATOM 85 NE2 GLN A 6 -21.809 8.880 -8.720 1.00 2.13 N ATOM 0 HA GLN A 6 -19.802 12.472 -5.680 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.169 12.365 -6.610 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -21.489 12.605 -8.207 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -20.086 10.532 -7.840 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -20.959 10.269 -6.344 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -20.852 8.531 -8.664 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -22.510 8.363 -9.250 1.00 2.13 H new ATOM 94 N THR A 7 -19.010 13.794 -8.599 1.00 1.86 N ATOM 95 CA THR A 7 -17.952 13.877 -9.597 1.00 1.83 C ATOM 96 C THR A 7 -16.671 14.463 -9.006 1.00 1.79 C ATOM 97 O THR A 7 -15.576 13.949 -9.237 1.00 1.71 O ATOM 98 CB THR A 7 -18.393 14.721 -10.808 1.00 1.88 C ATOM 99 OG1 THR A 7 -19.273 15.762 -10.374 1.00 2.15 O ATOM 100 CG2 THR A 7 -19.098 13.858 -11.841 1.00 1.95 C ATOM 0 H THR A 7 -19.798 14.420 -8.765 1.00 1.86 H new ATOM 0 HA THR A 7 -17.749 12.859 -9.930 1.00 1.83 H new ATOM 0 HB THR A 7 -17.505 15.156 -11.267 1.00 1.88 H new ATOM 0 HG1 THR A 7 -19.551 16.298 -11.146 1.00 2.15 H new ATOM 0 HG21 THR A 7 -19.400 14.476 -12.687 1.00 1.95 H new ATOM 0 HG22 THR A 7 -18.420 13.077 -12.186 1.00 1.95 H new ATOM 0 HG23 THR A 7 -19.980 13.401 -11.392 1.00 1.95 H new ATOM 108 N ARG A 8 -16.822 15.531 -8.234 1.00 1.84 N ATOM 109 CA ARG A 8 -15.687 16.202 -7.608 1.00 1.82 C ATOM 110 C ARG A 8 -14.956 15.283 -6.632 1.00 1.75 C ATOM 111 O ARG A 8 -13.733 15.145 -6.701 1.00 1.69 O ATOM 112 CB ARG A 8 -16.164 17.468 -6.883 1.00 1.94 C ATOM 113 CG ARG A 8 -15.099 18.149 -6.026 1.00 2.03 C ATOM 114 CD ARG A 8 -13.889 18.575 -6.846 1.00 2.06 C ATOM 115 NE ARG A 8 -14.267 19.186 -8.117 1.00 2.06 N ATOM 116 CZ ARG A 8 -13.696 18.882 -9.284 1.00 2.08 C ATOM 117 NH1 ARG A 8 -12.709 17.990 -9.337 1.00 2.10 N ATOM 118 NH2 ARG A 8 -14.113 19.472 -10.398 1.00 2.22 N ATOM 0 H ARG A 8 -17.726 15.955 -8.024 1.00 1.84 H new ATOM 0 HA ARG A 8 -14.984 16.475 -8.395 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -16.526 18.181 -7.624 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -17.012 17.210 -6.249 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.531 19.023 -5.538 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -14.780 17.468 -5.237 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -13.293 19.282 -6.269 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -13.258 17.707 -7.036 1.00 2.06 H new ATOM 0 HE ARG A 8 -15.010 19.885 -8.113 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -12.386 17.535 -8.483 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -12.276 17.761 -10.232 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -14.869 20.156 -10.361 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -13.678 19.241 -11.291 1.00 2.22 H new ATOM 132 N ASN A 9 -15.705 14.651 -5.738 1.00 1.76 N ATOM 133 CA ASN A 9 -15.120 13.765 -4.735 1.00 1.72 C ATOM 134 C ASN A 9 -14.487 12.531 -5.374 1.00 1.61 C ATOM 135 O ASN A 9 -13.366 12.151 -5.026 1.00 1.56 O ATOM 136 CB ASN A 9 -16.189 13.342 -3.719 1.00 1.78 C ATOM 137 CG ASN A 9 -15.639 12.472 -2.604 1.00 1.75 C ATOM 138 OD1 ASN A 9 -15.613 11.248 -2.711 1.00 1.75 O ATOM 139 ND2 ASN A 9 -15.202 13.099 -1.521 1.00 1.84 N ATOM 0 H ASN A 9 -16.720 14.734 -5.685 1.00 1.76 H new ATOM 0 HA ASN A 9 -14.331 14.316 -4.223 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -16.643 14.233 -3.286 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -16.980 12.801 -4.237 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -14.827 12.563 -0.738 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -15.241 14.117 -1.471 1.00 1.84 H new ATOM 146 N LYS A 10 -15.188 11.932 -6.332 1.00 1.60 N ATOM 147 CA LYS A 10 -14.706 10.725 -6.995 1.00 1.52 C ATOM 148 C LYS A 10 -13.399 10.969 -7.751 1.00 1.47 C ATOM 149 O LYS A 10 -12.501 10.126 -7.732 1.00 1.41 O ATOM 150 CB LYS A 10 -15.759 10.174 -7.957 1.00 1.53 C ATOM 151 CG LYS A 10 -15.621 8.681 -8.190 1.00 1.59 C ATOM 152 CD LYS A 10 -16.165 8.273 -9.542 1.00 1.70 C ATOM 153 CE LYS A 10 -15.412 7.071 -10.087 1.00 2.07 C ATOM 154 NZ LYS A 10 -13.988 7.398 -10.379 1.00 2.48 N ATOM 0 H LYS A 10 -16.093 12.263 -6.667 1.00 1.60 H new ATOM 0 HA LYS A 10 -14.513 9.992 -6.212 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -16.752 10.385 -7.560 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -15.680 10.695 -8.911 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -14.571 8.397 -8.119 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -16.151 8.140 -7.406 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -17.225 8.035 -9.455 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -16.081 9.107 -10.239 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -15.457 6.255 -9.365 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -15.898 6.719 -10.997 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -13.655 6.819 -11.176 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -13.907 8.405 -10.625 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -13.407 7.199 -9.540 1.00 2.48 H new ATOM 168 N GLU A 11 -13.307 12.109 -8.417 1.00 1.52 N ATOM 169 CA GLU A 11 -12.116 12.462 -9.182 1.00 1.50 C ATOM 170 C GLU A 11 -10.935 12.733 -8.254 1.00 1.45 C ATOM 171 O GLU A 11 -9.816 12.279 -8.502 1.00 1.38 O ATOM 172 CB GLU A 11 -12.400 13.703 -10.041 1.00 1.58 C ATOM 173 CG GLU A 11 -11.191 14.219 -10.812 1.00 1.63 C ATOM 174 CD GLU A 11 -10.835 15.648 -10.453 1.00 1.77 C ATOM 175 OE1 GLU A 11 -10.204 15.862 -9.399 1.00 1.90 O ATOM 176 OE2 GLU A 11 -11.187 16.566 -11.224 1.00 1.96 O ATOM 0 H GLU A 11 -14.046 12.811 -8.445 1.00 1.52 H new ATOM 0 HA GLU A 11 -11.859 11.623 -9.829 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -13.195 13.467 -10.749 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.773 14.499 -9.397 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -10.335 13.574 -10.612 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -11.393 14.157 -11.881 1.00 1.63 H new ATOM 183 N LEU A 12 -11.205 13.453 -7.172 1.00 1.51 N ATOM 184 CA LEU A 12 -10.179 13.809 -6.200 1.00 1.50 C ATOM 185 C LEU A 12 -9.538 12.573 -5.576 1.00 1.40 C ATOM 186 O LEU A 12 -8.316 12.428 -5.593 1.00 1.33 O ATOM 187 CB LEU A 12 -10.774 14.703 -5.106 1.00 1.62 C ATOM 188 CG LEU A 12 -10.041 16.026 -4.884 1.00 1.65 C ATOM 189 CD1 LEU A 12 -10.127 16.908 -6.120 1.00 1.69 C ATOM 190 CD2 LEU A 12 -10.606 16.746 -3.670 1.00 1.82 C ATOM 0 H LEU A 12 -12.135 13.805 -6.945 1.00 1.51 H new ATOM 0 HA LEU A 12 -9.399 14.356 -6.729 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.812 14.918 -5.358 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -10.782 14.148 -4.168 1.00 1.62 H new ATOM 0 HG LEU A 12 -8.989 15.808 -4.699 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -9.598 17.843 -5.937 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -9.672 16.393 -6.966 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -11.173 17.120 -6.344 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -10.074 17.686 -3.524 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -11.665 16.949 -3.828 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -10.484 16.120 -2.786 1.00 1.82 H new ATOM 202 N LEU A 13 -10.362 11.670 -5.045 1.00 1.41 N ATOM 203 CA LEU A 13 -9.852 10.456 -4.408 1.00 1.35 C ATOM 204 C LEU A 13 -9.133 9.565 -5.426 1.00 1.23 C ATOM 205 O LEU A 13 -8.168 8.878 -5.091 1.00 1.18 O ATOM 206 CB LEU A 13 -10.984 9.691 -3.694 1.00 1.43 C ATOM 207 CG LEU A 13 -11.922 8.877 -4.585 1.00 1.43 C ATOM 208 CD1 LEU A 13 -11.506 7.416 -4.608 1.00 1.81 C ATOM 209 CD2 LEU A 13 -13.356 9.014 -4.106 1.00 1.76 C ATOM 0 H LEU A 13 -11.378 11.755 -5.043 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.124 10.750 -3.652 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -10.534 9.016 -2.966 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.583 10.410 -3.135 1.00 1.43 H new ATOM 0 HG LEU A 13 -11.856 9.267 -5.601 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -12.186 6.854 -5.248 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -10.491 7.333 -4.996 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -11.542 7.012 -3.596 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -14.012 8.429 -4.750 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -13.434 8.650 -3.082 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -13.653 10.062 -4.142 1.00 1.76 H new ATOM 221 N LEU A 14 -9.593 9.611 -6.675 1.00 1.21 N ATOM 222 CA LEU A 14 -8.998 8.823 -7.750 1.00 1.13 C ATOM 223 C LEU A 14 -7.538 9.217 -7.949 1.00 1.11 C ATOM 224 O LEU A 14 -6.659 8.362 -8.068 1.00 1.04 O ATOM 225 CB LEU A 14 -9.777 9.044 -9.053 1.00 1.16 C ATOM 226 CG LEU A 14 -9.176 8.399 -10.303 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.374 6.887 -10.284 1.00 1.11 C ATOM 228 CD2 LEU A 14 -9.787 9.002 -11.561 1.00 1.23 C ATOM 0 H LEU A 14 -10.381 10.190 -6.967 1.00 1.21 H new ATOM 0 HA LEU A 14 -9.045 7.769 -7.478 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -10.789 8.661 -8.919 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -9.863 10.117 -9.226 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.105 8.601 -10.307 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -8.938 6.452 -11.183 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -8.886 6.467 -9.404 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.440 6.660 -10.251 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -9.348 8.531 -12.440 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -10.864 8.834 -11.559 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -9.587 10.073 -11.585 1.00 1.23 H new ATOM 240 N LYS A 15 -7.293 10.524 -7.960 1.00 1.19 N ATOM 241 CA LYS A 15 -5.951 11.059 -8.150 1.00 1.19 C ATOM 242 C LYS A 15 -5.086 10.866 -6.909 1.00 1.14 C ATOM 243 O LYS A 15 -3.886 10.609 -7.017 1.00 1.09 O ATOM 244 CB LYS A 15 -6.019 12.547 -8.496 1.00 1.32 C ATOM 245 CG LYS A 15 -6.536 12.832 -9.896 1.00 1.56 C ATOM 246 CD LYS A 15 -7.445 14.053 -9.915 1.00 1.68 C ATOM 247 CE LYS A 15 -6.789 15.266 -9.263 1.00 1.70 C ATOM 248 NZ LYS A 15 -7.634 16.481 -9.377 1.00 1.93 N ATOM 0 H LYS A 15 -8.013 11.236 -7.838 1.00 1.19 H new ATOM 0 HA LYS A 15 -5.494 10.509 -8.973 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -6.662 13.049 -7.773 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -5.024 12.980 -8.392 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -5.695 12.992 -10.570 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -7.082 11.965 -10.268 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -7.707 14.293 -10.945 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -8.374 13.821 -9.395 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -6.598 15.054 -8.211 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -5.822 15.451 -9.731 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -7.193 17.261 -8.849 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -7.725 16.748 -10.378 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -8.577 16.286 -8.984 1.00 1.93 H new ATOM 262 N LYS A 16 -5.693 10.985 -5.734 1.00 1.17 N ATOM 263 CA LYS A 16 -4.960 10.842 -4.478 1.00 1.16 C ATOM 264 C LYS A 16 -4.443 9.417 -4.278 1.00 1.04 C ATOM 265 O LYS A 16 -3.306 9.221 -3.853 1.00 1.05 O ATOM 266 CB LYS A 16 -5.831 11.250 -3.287 1.00 1.26 C ATOM 267 CG LYS A 16 -6.191 12.733 -3.259 1.00 1.32 C ATOM 268 CD LYS A 16 -4.957 13.634 -3.235 1.00 1.30 C ATOM 269 CE LYS A 16 -4.098 13.397 -2.002 1.00 1.50 C ATOM 270 NZ LYS A 16 -2.966 14.358 -1.919 1.00 1.62 N ATOM 0 H LYS A 16 -6.688 11.180 -5.623 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.100 11.509 -4.536 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -6.750 10.664 -3.305 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.309 10.996 -2.365 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -6.796 12.973 -4.134 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -6.804 12.938 -2.381 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -4.362 13.456 -4.131 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -5.270 14.678 -3.263 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -4.715 13.485 -1.108 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -3.709 12.379 -2.021 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -2.406 14.162 -1.065 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -2.362 14.257 -2.760 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -3.337 15.329 -1.874 1.00 1.62 H new ATOM 284 N ILE A 17 -5.270 8.428 -4.594 1.00 0.96 N ATOM 285 CA ILE A 17 -4.880 7.028 -4.432 1.00 0.88 C ATOM 286 C ILE A 17 -3.862 6.611 -5.502 1.00 0.85 C ATOM 287 O ILE A 17 -2.978 5.794 -5.248 1.00 0.83 O ATOM 288 CB ILE A 17 -6.120 6.103 -4.466 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.088 6.499 -3.345 1.00 1.01 C ATOM 290 CG2 ILE A 17 -5.714 4.638 -4.320 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.412 5.768 -3.385 1.00 1.02 C ATOM 0 H ILE A 17 -6.211 8.566 -4.962 1.00 0.96 H new ATOM 0 HA ILE A 17 -4.404 6.925 -3.457 1.00 0.88 H new ATOM 0 HB ILE A 17 -6.615 6.220 -5.430 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -6.610 6.311 -2.384 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.275 7.571 -3.403 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -6.604 4.009 -4.347 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.049 4.361 -5.138 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.198 4.496 -3.370 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -9.039 6.105 -2.559 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -8.914 5.976 -4.330 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -8.238 4.696 -3.294 1.00 1.02 H new ATOM 303 N ASP A 18 -3.981 7.190 -6.691 1.00 0.90 N ATOM 304 CA ASP A 18 -3.055 6.887 -7.787 1.00 0.93 C ATOM 305 C ASP A 18 -1.627 7.279 -7.407 1.00 0.93 C ATOM 306 O ASP A 18 -0.687 6.484 -7.519 1.00 0.93 O ATOM 307 CB ASP A 18 -3.487 7.623 -9.060 1.00 1.04 C ATOM 308 CG ASP A 18 -2.538 7.397 -10.222 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.407 6.237 -10.669 1.00 1.66 O ATOM 310 OD2 ASP A 18 -1.931 8.377 -10.706 1.00 1.62 O ATOM 0 H ASP A 18 -4.705 7.870 -6.925 1.00 0.90 H new ATOM 0 HA ASP A 18 -3.079 5.814 -7.975 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.486 7.293 -9.344 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -3.552 8.691 -8.852 1.00 1.04 H new ATOM 315 N SER A 19 -1.485 8.513 -6.943 1.00 0.99 N ATOM 316 CA SER A 19 -0.197 9.052 -6.524 1.00 1.03 C ATOM 317 C SER A 19 0.330 8.364 -5.269 1.00 0.96 C ATOM 318 O SER A 19 1.540 8.327 -5.043 1.00 0.96 O ATOM 319 CB SER A 19 -0.315 10.557 -6.299 1.00 1.17 C ATOM 320 OG SER A 19 -0.691 11.211 -7.502 1.00 1.28 O ATOM 0 H SER A 19 -2.260 9.170 -6.846 1.00 0.99 H new ATOM 0 HA SER A 19 0.521 8.859 -7.321 1.00 1.03 H new ATOM 0 HB2 SER A 19 -1.053 10.758 -5.523 1.00 1.17 H new ATOM 0 HB3 SER A 19 0.636 10.954 -5.944 1.00 1.17 H new ATOM 0 HG SER A 19 -0.180 10.838 -8.250 1.00 1.28 H new ATOM 326 N LEU A 20 -0.585 7.857 -4.450 1.00 0.92 N ATOM 327 CA LEU A 20 -0.232 7.177 -3.211 1.00 0.90 C ATOM 328 C LEU A 20 0.781 6.069 -3.477 1.00 0.84 C ATOM 329 O LEU A 20 1.852 6.028 -2.867 1.00 0.86 O ATOM 330 CB LEU A 20 -1.495 6.581 -2.595 1.00 0.92 C ATOM 331 CG LEU A 20 -1.373 6.107 -1.151 1.00 1.01 C ATOM 332 CD1 LEU A 20 -1.641 7.265 -0.209 1.00 1.37 C ATOM 333 CD2 LEU A 20 -2.330 4.952 -0.901 1.00 1.14 C ATOM 0 H LEU A 20 -1.588 7.906 -4.626 1.00 0.92 H new ATOM 0 HA LEU A 20 0.216 7.896 -2.524 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.288 7.327 -2.646 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -1.812 5.737 -3.208 1.00 0.92 H new ATOM 0 HG LEU A 20 -0.361 5.747 -0.966 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -1.553 6.923 0.822 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -0.916 8.058 -0.391 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -2.647 7.648 -0.380 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -2.237 4.619 0.133 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -3.353 5.281 -1.085 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -2.088 4.127 -1.571 1.00 1.14 H new ATOM 345 N ILE A 21 0.460 5.202 -4.427 1.00 0.80 N ATOM 346 CA ILE A 21 1.344 4.098 -4.775 1.00 0.79 C ATOM 347 C ILE A 21 2.629 4.619 -5.410 1.00 0.81 C ATOM 348 O ILE A 21 3.699 4.055 -5.215 1.00 0.83 O ATOM 349 CB ILE A 21 0.657 3.101 -5.732 1.00 0.81 C ATOM 350 CG1 ILE A 21 -0.721 2.711 -5.184 1.00 1.06 C ATOM 351 CG2 ILE A 21 1.517 1.859 -5.924 1.00 1.04 C ATOM 352 CD1 ILE A 21 -1.558 1.899 -6.148 1.00 1.23 C ATOM 0 H ILE A 21 -0.403 5.241 -4.969 1.00 0.80 H new ATOM 0 HA ILE A 21 1.587 3.573 -3.851 1.00 0.79 H new ATOM 0 HB ILE A 21 0.530 3.584 -6.701 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -0.587 2.140 -4.265 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -1.266 3.617 -4.920 1.00 1.06 H new ATOM 0 HG21 ILE A 21 1.014 1.169 -6.602 1.00 1.04 H new ATOM 0 HG22 ILE A 21 2.480 2.145 -6.346 1.00 1.04 H new ATOM 0 HG23 ILE A 21 1.673 1.372 -4.961 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -2.517 1.663 -5.687 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -1.725 2.474 -7.059 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -1.036 0.974 -6.394 1.00 1.23 H new ATOM 364 N GLU A 22 2.518 5.716 -6.145 1.00 0.84 N ATOM 365 CA GLU A 22 3.677 6.320 -6.799 1.00 0.90 C ATOM 366 C GLU A 22 4.720 6.754 -5.776 1.00 0.90 C ATOM 367 O GLU A 22 5.918 6.581 -5.989 1.00 0.93 O ATOM 368 CB GLU A 22 3.265 7.538 -7.623 1.00 0.98 C ATOM 369 CG GLU A 22 2.275 7.238 -8.734 1.00 1.29 C ATOM 370 CD GLU A 22 2.052 8.431 -9.638 1.00 1.78 C ATOM 371 OE1 GLU A 22 1.440 9.423 -9.188 1.00 2.29 O ATOM 372 OE2 GLU A 22 2.502 8.389 -10.800 1.00 2.22 O ATOM 0 H GLU A 22 1.639 6.208 -6.305 1.00 0.84 H new ATOM 0 HA GLU A 22 4.106 5.562 -7.455 1.00 0.90 H new ATOM 0 HB2 GLU A 22 2.830 8.282 -6.956 1.00 0.98 H new ATOM 0 HB3 GLU A 22 4.158 7.985 -8.060 1.00 0.98 H new ATOM 0 HG2 GLU A 22 2.639 6.399 -9.326 1.00 1.29 H new ATOM 0 HG3 GLU A 22 1.324 6.932 -8.298 1.00 1.29 H new ATOM 379 N ALA A 23 4.250 7.324 -4.669 1.00 0.89 N ATOM 380 CA ALA A 23 5.133 7.796 -3.607 1.00 0.92 C ATOM 381 C ALA A 23 5.904 6.641 -2.986 1.00 0.88 C ATOM 382 O ALA A 23 7.117 6.728 -2.780 1.00 0.89 O ATOM 383 CB ALA A 23 4.332 8.544 -2.550 1.00 0.94 C ATOM 0 H ALA A 23 3.258 7.470 -4.484 1.00 0.89 H new ATOM 0 HA ALA A 23 5.858 8.483 -4.043 1.00 0.92 H new ATOM 0 HB1 ALA A 23 5.002 8.891 -1.763 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.836 9.400 -3.008 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.584 7.877 -2.121 1.00 0.94 H new ATOM 389 N ILE A 24 5.198 5.552 -2.708 1.00 0.86 N ATOM 390 CA ILE A 24 5.821 4.372 -2.123 1.00 0.85 C ATOM 391 C ILE A 24 6.766 3.730 -3.144 1.00 0.83 C ATOM 392 O ILE A 24 7.847 3.244 -2.799 1.00 0.83 O ATOM 393 CB ILE A 24 4.755 3.357 -1.629 1.00 0.87 C ATOM 394 CG1 ILE A 24 4.101 3.865 -0.336 1.00 1.12 C ATOM 395 CG2 ILE A 24 5.363 1.977 -1.401 1.00 1.03 C ATOM 396 CD1 ILE A 24 2.620 4.174 -0.456 1.00 1.05 C ATOM 0 H ILE A 24 4.196 5.462 -2.878 1.00 0.86 H new ATOM 0 HA ILE A 24 6.399 4.678 -1.251 1.00 0.85 H new ATOM 0 HB ILE A 24 3.995 3.265 -2.405 1.00 0.87 H new ATOM 0 HG12 ILE A 24 4.241 3.117 0.444 1.00 1.12 H new ATOM 0 HG13 ILE A 24 4.621 4.766 -0.011 1.00 1.12 H new ATOM 0 HG21 ILE A 24 4.589 1.291 -1.056 1.00 1.03 H new ATOM 0 HG22 ILE A 24 5.786 1.607 -2.335 1.00 1.03 H new ATOM 0 HG23 ILE A 24 6.149 2.045 -0.649 1.00 1.03 H new ATOM 0 HD11 ILE A 24 2.243 4.526 0.504 1.00 1.05 H new ATOM 0 HD12 ILE A 24 2.469 4.946 -1.210 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.083 3.272 -0.748 1.00 1.05 H new ATOM 408 N LYS A 25 6.359 3.772 -4.410 1.00 0.83 N ATOM 409 CA LYS A 25 7.149 3.223 -5.504 1.00 0.84 C ATOM 410 C LYS A 25 8.466 3.984 -5.642 1.00 0.86 C ATOM 411 O LYS A 25 9.499 3.410 -5.981 1.00 0.86 O ATOM 412 CB LYS A 25 6.362 3.291 -6.816 1.00 0.88 C ATOM 413 CG LYS A 25 7.009 2.520 -7.955 1.00 0.96 C ATOM 414 CD LYS A 25 6.701 1.032 -7.874 1.00 1.13 C ATOM 415 CE LYS A 25 7.741 0.205 -8.618 1.00 1.39 C ATOM 416 NZ LYS A 25 7.820 0.566 -10.061 1.00 1.61 N ATOM 0 H LYS A 25 5.475 4.187 -4.704 1.00 0.83 H new ATOM 0 HA LYS A 25 7.369 2.179 -5.281 1.00 0.84 H new ATOM 0 HB2 LYS A 25 5.358 2.901 -6.648 1.00 0.88 H new ATOM 0 HB3 LYS A 25 6.253 4.335 -7.111 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.655 2.913 -8.908 1.00 0.96 H new ATOM 0 HG3 LYS A 25 8.088 2.670 -7.929 1.00 0.96 H new ATOM 0 HD2 LYS A 25 6.668 0.723 -6.829 1.00 1.13 H new ATOM 0 HD3 LYS A 25 5.714 0.840 -8.294 1.00 1.13 H new ATOM 0 HE2 LYS A 25 8.717 0.350 -8.155 1.00 1.39 H new ATOM 0 HE3 LYS A 25 7.497 -0.853 -8.523 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 8.465 -0.089 -10.548 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 6.874 0.501 -10.487 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 8.176 1.538 -10.157 1.00 1.61 H new ATOM 430 N LYS A 26 8.416 5.278 -5.368 1.00 0.87 N ATOM 431 CA LYS A 26 9.593 6.123 -5.449 1.00 0.91 C ATOM 432 C LYS A 26 10.605 5.741 -4.375 1.00 0.90 C ATOM 433 O LYS A 26 11.805 5.678 -4.638 1.00 0.91 O ATOM 434 CB LYS A 26 9.195 7.596 -5.298 1.00 0.97 C ATOM 435 CG LYS A 26 9.527 8.450 -6.513 1.00 1.07 C ATOM 436 CD LYS A 26 11.026 8.670 -6.652 1.00 1.21 C ATOM 437 CE LYS A 26 11.538 8.220 -8.013 1.00 1.35 C ATOM 438 NZ LYS A 26 12.975 8.557 -8.197 1.00 1.42 N ATOM 0 H LYS A 26 7.566 5.767 -5.086 1.00 0.87 H new ATOM 0 HA LYS A 26 10.055 5.978 -6.425 1.00 0.91 H new ATOM 0 HB2 LYS A 26 8.124 7.655 -5.106 1.00 0.97 H new ATOM 0 HB3 LYS A 26 9.699 8.011 -4.425 1.00 0.97 H new ATOM 0 HG2 LYS A 26 9.145 7.968 -7.413 1.00 1.07 H new ATOM 0 HG3 LYS A 26 9.024 9.413 -6.430 1.00 1.07 H new ATOM 0 HD2 LYS A 26 11.253 9.726 -6.509 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.548 8.122 -5.868 1.00 1.21 H new ATOM 0 HE2 LYS A 26 11.400 7.144 -8.116 1.00 1.35 H new ATOM 0 HE3 LYS A 26 10.949 8.694 -8.799 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 13.233 8.441 -9.198 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 13.140 9.542 -7.909 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.558 7.923 -7.614 1.00 1.42 H new ATOM 452 N ILE A 27 10.107 5.464 -3.175 1.00 0.88 N ATOM 453 CA ILE A 27 10.962 5.096 -2.046 1.00 0.89 C ATOM 454 C ILE A 27 11.803 3.856 -2.351 1.00 0.87 C ATOM 455 O ILE A 27 13.014 3.843 -2.114 1.00 0.90 O ATOM 456 CB ILE A 27 10.124 4.842 -0.771 1.00 0.90 C ATOM 457 CG1 ILE A 27 9.263 6.068 -0.440 1.00 0.90 C ATOM 458 CG2 ILE A 27 11.021 4.488 0.408 1.00 0.93 C ATOM 459 CD1 ILE A 27 10.058 7.309 -0.085 1.00 1.31 C ATOM 0 H ILE A 27 9.111 5.487 -2.956 1.00 0.88 H new ATOM 0 HA ILE A 27 11.632 5.938 -1.875 1.00 0.89 H new ATOM 0 HB ILE A 27 9.464 3.996 -0.963 1.00 0.90 H new ATOM 0 HG12 ILE A 27 8.625 6.291 -1.295 1.00 0.90 H new ATOM 0 HG13 ILE A 27 8.605 5.821 0.393 1.00 0.90 H new ATOM 0 HG21 ILE A 27 10.408 4.314 1.292 1.00 0.93 H new ATOM 0 HG22 ILE A 27 11.588 3.586 0.176 1.00 0.93 H new ATOM 0 HG23 ILE A 27 11.710 5.310 0.600 1.00 0.93 H new ATOM 0 HD11 ILE A 27 9.374 8.129 0.135 1.00 1.31 H new ATOM 0 HD12 ILE A 27 10.676 7.107 0.790 1.00 1.31 H new ATOM 0 HD13 ILE A 27 10.696 7.585 -0.924 1.00 1.31 H new ATOM 471 N ILE A 28 11.165 2.821 -2.890 1.00 0.83 N ATOM 472 CA ILE A 28 11.865 1.579 -3.214 1.00 0.82 C ATOM 473 C ILE A 28 12.879 1.793 -4.341 1.00 0.83 C ATOM 474 O ILE A 28 13.951 1.186 -4.354 1.00 0.84 O ATOM 475 CB ILE A 28 10.875 0.436 -3.578 1.00 0.82 C ATOM 476 CG1 ILE A 28 11.564 -0.923 -3.457 1.00 0.88 C ATOM 477 CG2 ILE A 28 10.297 0.607 -4.976 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.188 -1.686 -2.203 1.00 1.05 C ATOM 0 H ILE A 28 10.169 2.816 -3.111 1.00 0.83 H new ATOM 0 HA ILE A 28 12.407 1.275 -2.319 1.00 0.82 H new ATOM 0 HB ILE A 28 10.047 0.485 -2.870 1.00 0.82 H new ATOM 0 HG12 ILE A 28 11.312 -1.527 -4.329 1.00 0.88 H new ATOM 0 HG13 ILE A 28 12.644 -0.776 -3.472 1.00 0.88 H new ATOM 0 HG21 ILE A 28 9.611 -0.213 -5.189 1.00 0.88 H new ATOM 0 HG22 ILE A 28 9.760 1.554 -5.034 1.00 0.88 H new ATOM 0 HG23 ILE A 28 11.106 0.603 -5.707 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.715 -2.640 -2.186 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.465 -1.102 -1.325 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.113 -1.865 -2.195 1.00 1.05 H new ATOM 490 N ALA A 29 12.535 2.674 -5.276 1.00 0.84 N ATOM 491 CA ALA A 29 13.405 2.972 -6.405 1.00 0.87 C ATOM 492 C ALA A 29 14.674 3.677 -5.944 1.00 0.90 C ATOM 493 O ALA A 29 15.749 3.469 -6.508 1.00 0.93 O ATOM 494 CB ALA A 29 12.665 3.818 -7.431 1.00 0.90 C ATOM 0 H ALA A 29 11.658 3.194 -5.272 1.00 0.84 H new ATOM 0 HA ALA A 29 13.695 2.031 -6.872 1.00 0.87 H new ATOM 0 HB1 ALA A 29 13.327 4.034 -8.270 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.791 3.274 -7.789 1.00 0.90 H new ATOM 0 HB3 ALA A 29 12.347 4.753 -6.970 1.00 0.90 H new ATOM 500 N GLU A 30 14.545 4.508 -4.917 1.00 0.93 N ATOM 501 CA GLU A 30 15.688 5.235 -4.379 1.00 0.99 C ATOM 502 C GLU A 30 16.666 4.266 -3.728 1.00 0.99 C ATOM 503 O GLU A 30 17.881 4.387 -3.898 1.00 1.01 O ATOM 504 CB GLU A 30 15.231 6.282 -3.359 1.00 1.06 C ATOM 505 CG GLU A 30 14.285 7.319 -3.939 1.00 1.10 C ATOM 506 CD GLU A 30 14.781 7.901 -5.248 1.00 1.18 C ATOM 507 OE1 GLU A 30 15.565 8.865 -5.217 1.00 1.46 O ATOM 508 OE2 GLU A 30 14.377 7.393 -6.318 1.00 1.25 O ATOM 0 H GLU A 30 13.662 4.695 -4.441 1.00 0.93 H new ATOM 0 HA GLU A 30 16.188 5.747 -5.201 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.739 5.777 -2.528 1.00 1.06 H new ATOM 0 HB3 GLU A 30 16.107 6.788 -2.952 1.00 1.06 H new ATOM 0 HG2 GLU A 30 13.307 6.864 -4.097 1.00 1.10 H new ATOM 0 HG3 GLU A 30 14.149 8.124 -3.217 1.00 1.10 H new ATOM 515 N PHE A 31 16.117 3.291 -3.005 1.00 0.97 N ATOM 516 CA PHE A 31 16.919 2.282 -2.321 1.00 1.00 C ATOM 517 C PHE A 31 17.814 1.539 -3.306 1.00 0.97 C ATOM 518 O PHE A 31 18.977 1.251 -3.010 1.00 1.00 O ATOM 519 CB PHE A 31 16.013 1.282 -1.588 1.00 1.02 C ATOM 520 CG PHE A 31 15.293 1.845 -0.390 1.00 1.10 C ATOM 521 CD1 PHE A 31 15.657 3.060 0.166 1.00 1.79 C ATOM 522 CD2 PHE A 31 14.254 1.136 0.192 1.00 1.42 C ATOM 523 CE1 PHE A 31 14.999 3.557 1.277 1.00 1.98 C ATOM 524 CE2 PHE A 31 13.591 1.628 1.302 1.00 1.58 C ATOM 525 CZ PHE A 31 13.965 2.840 1.845 1.00 1.54 C ATOM 0 H PHE A 31 15.111 3.180 -2.878 1.00 0.97 H new ATOM 0 HA PHE A 31 17.550 2.792 -1.593 1.00 1.00 H new ATOM 0 HB2 PHE A 31 15.274 0.899 -2.292 1.00 1.02 H new ATOM 0 HB3 PHE A 31 16.617 0.434 -1.266 1.00 1.02 H new ATOM 0 HD1 PHE A 31 16.465 3.627 -0.273 1.00 1.79 H new ATOM 0 HD2 PHE A 31 13.958 0.186 -0.227 1.00 1.42 H new ATOM 0 HE1 PHE A 31 15.294 4.506 1.700 1.00 1.98 H new ATOM 0 HE2 PHE A 31 12.782 1.064 1.743 1.00 1.58 H new ATOM 0 HZ PHE A 31 13.450 3.227 2.712 1.00 1.54 H new ATOM 535 N ASP A 32 17.271 1.231 -4.478 1.00 0.93 N ATOM 536 CA ASP A 32 18.036 0.537 -5.509 1.00 0.92 C ATOM 537 C ASP A 32 19.199 1.405 -5.982 1.00 0.92 C ATOM 538 O ASP A 32 20.332 0.935 -6.100 1.00 0.93 O ATOM 539 CB ASP A 32 17.146 0.183 -6.699 1.00 0.94 C ATOM 540 CG ASP A 32 17.911 -0.515 -7.811 1.00 1.15 C ATOM 541 OD1 ASP A 32 18.229 -1.714 -7.659 1.00 1.54 O ATOM 542 OD2 ASP A 32 18.180 0.125 -8.850 1.00 1.45 O ATOM 0 H ASP A 32 16.309 1.449 -4.738 1.00 0.93 H new ATOM 0 HA ASP A 32 18.427 -0.384 -5.076 1.00 0.92 H new ATOM 0 HB2 ASP A 32 16.333 -0.461 -6.362 1.00 0.94 H new ATOM 0 HB3 ASP A 32 16.691 1.092 -7.091 1.00 0.94 H new ATOM 547 N VAL A 33 18.910 2.680 -6.227 1.00 0.93 N ATOM 548 CA VAL A 33 19.922 3.623 -6.682 1.00 0.95 C ATOM 549 C VAL A 33 21.045 3.770 -5.654 1.00 0.96 C ATOM 550 O VAL A 33 22.223 3.739 -6.009 1.00 0.97 O ATOM 551 CB VAL A 33 19.304 5.008 -6.974 1.00 0.99 C ATOM 552 CG1 VAL A 33 20.374 6.045 -7.297 1.00 1.06 C ATOM 553 CG2 VAL A 33 18.303 4.904 -8.113 1.00 0.98 C ATOM 0 H VAL A 33 17.979 3.083 -6.117 1.00 0.93 H new ATOM 0 HA VAL A 33 20.341 3.222 -7.605 1.00 0.95 H new ATOM 0 HB VAL A 33 18.787 5.340 -6.074 1.00 0.99 H new ATOM 0 HG11 VAL A 33 19.901 7.006 -7.497 1.00 1.06 H new ATOM 0 HG12 VAL A 33 21.053 6.144 -6.450 1.00 1.06 H new ATOM 0 HG13 VAL A 33 20.935 5.727 -8.176 1.00 1.06 H new ATOM 0 HG21 VAL A 33 17.873 5.886 -8.311 1.00 0.98 H new ATOM 0 HG22 VAL A 33 18.807 4.542 -9.009 1.00 0.98 H new ATOM 0 HG23 VAL A 33 17.509 4.209 -7.838 1.00 0.98 H new ATOM 563 N VAL A 34 20.670 3.905 -4.386 1.00 0.98 N ATOM 564 CA VAL A 34 21.646 4.062 -3.310 1.00 1.02 C ATOM 565 C VAL A 34 22.554 2.838 -3.202 1.00 1.02 C ATOM 566 O VAL A 34 23.765 2.970 -3.027 1.00 1.04 O ATOM 567 CB VAL A 34 20.957 4.311 -1.947 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.986 4.440 -0.833 1.00 1.14 C ATOM 569 CG2 VAL A 34 20.086 5.555 -2.003 1.00 1.08 C ATOM 0 H VAL A 34 19.698 3.909 -4.077 1.00 0.98 H new ATOM 0 HA VAL A 34 22.251 4.933 -3.561 1.00 1.02 H new ATOM 0 HB VAL A 34 20.322 3.451 -1.732 1.00 1.07 H new ATOM 0 HG11 VAL A 34 21.476 4.615 0.115 1.00 1.14 H new ATOM 0 HG12 VAL A 34 22.569 3.521 -0.768 1.00 1.14 H new ATOM 0 HG13 VAL A 34 22.651 5.277 -1.047 1.00 1.14 H new ATOM 0 HG21 VAL A 34 19.611 5.711 -1.034 1.00 1.08 H new ATOM 0 HG22 VAL A 34 20.702 6.420 -2.248 1.00 1.08 H new ATOM 0 HG23 VAL A 34 19.319 5.428 -2.767 1.00 1.08 H new ATOM 579 N LYS A 35 21.968 1.654 -3.329 1.00 1.00 N ATOM 580 CA LYS A 35 22.724 0.409 -3.236 1.00 1.02 C ATOM 581 C LYS A 35 23.816 0.342 -4.304 1.00 1.01 C ATOM 582 O LYS A 35 24.959 -0.010 -4.015 1.00 1.04 O ATOM 583 CB LYS A 35 21.786 -0.797 -3.356 1.00 1.02 C ATOM 584 CG LYS A 35 22.510 -2.133 -3.350 1.00 1.06 C ATOM 585 CD LYS A 35 21.568 -3.286 -3.037 1.00 1.23 C ATOM 586 CE LYS A 35 21.241 -3.356 -1.553 1.00 1.45 C ATOM 587 NZ LYS A 35 20.720 -4.695 -1.158 1.00 1.92 N ATOM 0 H LYS A 35 20.970 1.528 -3.497 1.00 1.00 H new ATOM 0 HA LYS A 35 23.207 0.383 -2.259 1.00 1.02 H new ATOM 0 HB2 LYS A 35 21.073 -0.776 -2.532 1.00 1.02 H new ATOM 0 HB3 LYS A 35 21.211 -0.709 -4.278 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.976 -2.298 -4.321 1.00 1.06 H new ATOM 0 HG3 LYS A 35 23.312 -2.108 -2.612 1.00 1.06 H new ATOM 0 HD2 LYS A 35 20.647 -3.169 -3.608 1.00 1.23 H new ATOM 0 HD3 LYS A 35 22.023 -4.224 -3.354 1.00 1.23 H new ATOM 0 HE2 LYS A 35 22.136 -3.130 -0.974 1.00 1.45 H new ATOM 0 HE3 LYS A 35 20.502 -2.593 -1.308 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 20.510 -4.699 -0.139 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 19.851 -4.901 -1.691 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 21.435 -5.421 -1.367 1.00 1.92 H new ATOM 601 N GLU A 36 23.464 0.689 -5.532 1.00 0.99 N ATOM 602 CA GLU A 36 24.424 0.662 -6.633 1.00 1.00 C ATOM 603 C GLU A 36 25.431 1.806 -6.509 1.00 0.99 C ATOM 604 O GLU A 36 26.596 1.668 -6.887 1.00 1.01 O ATOM 605 CB GLU A 36 23.694 0.743 -7.973 1.00 1.03 C ATOM 606 CG GLU A 36 24.446 0.087 -9.122 1.00 1.31 C ATOM 607 CD GLU A 36 24.887 -1.327 -8.796 1.00 1.41 C ATOM 608 OE1 GLU A 36 24.041 -2.243 -8.818 1.00 1.71 O ATOM 609 OE2 GLU A 36 26.084 -1.531 -8.516 1.00 1.44 O ATOM 0 H GLU A 36 22.526 0.992 -5.794 1.00 0.99 H new ATOM 0 HA GLU A 36 24.971 -0.280 -6.584 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.717 0.270 -7.873 1.00 1.03 H new ATOM 0 HB3 GLU A 36 23.518 1.790 -8.217 1.00 1.03 H new ATOM 0 HG2 GLU A 36 23.809 0.071 -10.006 1.00 1.31 H new ATOM 0 HG3 GLU A 36 25.320 0.689 -9.370 1.00 1.31 H new ATOM 616 N SER A 37 24.989 2.919 -5.966 1.00 0.00 N ATOM 617 CA SER A 37 25.817 4.108 -5.786 1.00 0.00 C ATOM 618 C SER A 37 26.973 3.826 -4.855 1.00 0.00 C ATOM 619 O SER A 37 28.133 4.187 -5.139 1.00 0.00 O ATOM 620 CB SER A 37 24.965 5.303 -5.290 1.00 0.00 C ATOM 621 OG SER A 37 24.016 5.752 -6.263 1.00 0.00 O ATOM 0 H SER A 37 24.033 3.033 -5.630 1.00 0.00 H new ATOM 0 HA SER A 37 26.236 4.381 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 37 24.437 5.014 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 37 25.626 6.129 -5.026 1.00 0.00 H new ATOM 0 HG SER A 37 23.233 5.163 -6.253 1.00 0.00 H new ATOM 627 N VAL A 38 26.700 3.185 -3.718 1.00 1.03 N ATOM 628 CA VAL A 38 27.733 2.883 -2.732 1.00 1.06 C ATOM 629 C VAL A 38 28.743 1.884 -3.283 1.00 1.07 C ATOM 630 O VAL A 38 29.894 1.875 -2.859 1.00 1.09 O ATOM 631 CB VAL A 38 27.157 2.364 -1.394 1.00 1.10 C ATOM 632 CG1 VAL A 38 26.249 3.400 -0.759 1.00 1.12 C ATOM 633 CG2 VAL A 38 26.420 1.051 -1.574 1.00 1.10 C ATOM 0 H VAL A 38 25.767 2.865 -3.458 1.00 1.03 H new ATOM 0 HA VAL A 38 28.236 3.828 -2.525 1.00 1.06 H new ATOM 0 HB VAL A 38 27.999 2.183 -0.726 1.00 1.10 H new ATOM 0 HG11 VAL A 38 25.856 3.012 0.181 1.00 1.12 H new ATOM 0 HG12 VAL A 38 26.815 4.311 -0.567 1.00 1.12 H new ATOM 0 HG13 VAL A 38 25.422 3.622 -1.434 1.00 1.12 H new ATOM 0 HG21 VAL A 38 26.030 0.718 -0.612 1.00 1.10 H new ATOM 0 HG22 VAL A 38 25.595 1.190 -2.272 1.00 1.10 H new ATOM 0 HG23 VAL A 38 27.105 0.300 -1.967 1.00 1.10 H new ATOM 643 N ASN A 39 28.314 1.038 -4.220 1.00 1.05 N ATOM 644 CA ASN A 39 29.214 0.059 -4.828 1.00 1.08 C ATOM 645 C ASN A 39 30.370 0.778 -5.514 1.00 1.07 C ATOM 646 O ASN A 39 31.540 0.489 -5.263 1.00 1.10 O ATOM 647 CB ASN A 39 28.473 -0.808 -5.853 1.00 1.10 C ATOM 648 CG ASN A 39 27.610 -1.877 -5.208 1.00 1.41 C ATOM 649 OD1 ASN A 39 27.863 -2.294 -4.077 1.00 1.68 O ATOM 650 ND2 ASN A 39 26.604 -2.349 -5.931 1.00 1.72 N ATOM 0 H ASN A 39 27.357 1.011 -4.572 1.00 1.05 H new ATOM 0 HA ASN A 39 29.596 -0.588 -4.039 1.00 1.08 H new ATOM 0 HB2 ASN A 39 27.847 -0.170 -6.476 1.00 1.10 H new ATOM 0 HB3 ASN A 39 29.199 -1.283 -6.512 1.00 1.10 H new ATOM 0 HD21 ASN A 39 26.006 -3.085 -5.554 1.00 1.72 H new ATOM 0 HD22 ASN A 39 26.428 -1.977 -6.864 1.00 1.72 H new ATOM 657 N GLU A 40 30.020 1.743 -6.350 1.00 1.06 N ATOM 658 CA GLU A 40 30.999 2.524 -7.088 1.00 1.08 C ATOM 659 C GLU A 40 31.864 3.366 -6.148 1.00 1.06 C ATOM 660 O GLU A 40 33.089 3.420 -6.288 1.00 1.09 O ATOM 661 CB GLU A 40 30.285 3.441 -8.079 1.00 1.11 C ATOM 662 CG GLU A 40 29.698 2.724 -9.282 1.00 1.33 C ATOM 663 CD GLU A 40 30.729 2.474 -10.359 1.00 1.77 C ATOM 664 OE1 GLU A 40 31.002 3.405 -11.148 1.00 2.13 O ATOM 665 OE2 GLU A 40 31.274 1.354 -10.426 1.00 2.31 O ATOM 0 H GLU A 40 29.052 2.006 -6.535 1.00 1.06 H new ATOM 0 HA GLU A 40 31.649 1.831 -7.622 1.00 1.08 H new ATOM 0 HB2 GLU A 40 29.485 3.967 -7.558 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.988 4.197 -8.429 1.00 1.11 H new ATOM 0 HG2 GLU A 40 29.271 1.773 -8.963 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.882 3.318 -9.694 1.00 1.33 H new ATOM 672 N LEU A 41 31.218 4.012 -5.182 1.00 1.04 N ATOM 673 CA LEU A 41 31.908 4.871 -4.222 1.00 1.05 C ATOM 674 C LEU A 41 32.963 4.104 -3.421 1.00 1.08 C ATOM 675 O LEU A 41 34.076 4.593 -3.217 1.00 1.12 O ATOM 676 CB LEU A 41 30.890 5.507 -3.272 1.00 1.04 C ATOM 677 CG LEU A 41 31.021 7.019 -3.097 1.00 1.04 C ATOM 678 CD1 LEU A 41 30.717 7.733 -4.402 1.00 1.19 C ATOM 679 CD2 LEU A 41 30.099 7.509 -1.995 1.00 1.07 C ATOM 0 H LEU A 41 30.209 3.957 -5.042 1.00 1.04 H new ATOM 0 HA LEU A 41 32.425 5.649 -4.784 1.00 1.05 H new ATOM 0 HB2 LEU A 41 29.887 5.285 -3.638 1.00 1.04 H new ATOM 0 HB3 LEU A 41 30.985 5.034 -2.294 1.00 1.04 H new ATOM 0 HG LEU A 41 32.048 7.245 -2.812 1.00 1.04 H new ATOM 0 HD11 LEU A 41 30.815 8.809 -4.259 1.00 1.19 H new ATOM 0 HD12 LEU A 41 31.418 7.403 -5.169 1.00 1.19 H new ATOM 0 HD13 LEU A 41 29.700 7.500 -4.716 1.00 1.19 H new ATOM 0 HD21 LEU A 41 30.206 8.588 -1.884 1.00 1.07 H new ATOM 0 HD22 LEU A 41 29.067 7.271 -2.252 1.00 1.07 H new ATOM 0 HD23 LEU A 41 30.362 7.020 -1.057 1.00 1.07 H new ATOM 691 N SER A 42 32.615 2.899 -2.994 1.00 1.07 N ATOM 692 CA SER A 42 33.520 2.068 -2.208 1.00 1.12 C ATOM 693 C SER A 42 34.742 1.665 -3.026 1.00 1.16 C ATOM 694 O SER A 42 35.861 1.649 -2.515 1.00 1.20 O ATOM 695 CB SER A 42 32.791 0.818 -1.710 1.00 1.13 C ATOM 696 OG SER A 42 31.622 1.165 -0.984 1.00 1.47 O ATOM 0 H SER A 42 31.708 2.472 -3.179 1.00 1.07 H new ATOM 0 HA SER A 42 33.857 2.652 -1.352 1.00 1.12 H new ATOM 0 HB2 SER A 42 32.523 0.187 -2.558 1.00 1.13 H new ATOM 0 HB3 SER A 42 33.457 0.233 -1.076 1.00 1.13 H new ATOM 0 HG SER A 42 30.888 1.338 -1.610 1.00 1.47 H new ATOM 702 N GLU A 43 34.523 1.364 -4.300 1.00 1.16 N ATOM 703 CA GLU A 43 35.604 0.950 -5.185 1.00 1.22 C ATOM 704 C GLU A 43 36.631 2.062 -5.357 1.00 1.21 C ATOM 705 O GLU A 43 37.835 1.812 -5.346 1.00 1.25 O ATOM 706 CB GLU A 43 35.034 0.531 -6.540 1.00 1.27 C ATOM 707 CG GLU A 43 35.921 -0.443 -7.293 1.00 1.60 C ATOM 708 CD GLU A 43 36.535 -1.480 -6.381 1.00 1.71 C ATOM 709 OE1 GLU A 43 35.786 -2.288 -5.798 1.00 1.94 O ATOM 710 OE2 GLU A 43 37.772 -1.477 -6.226 1.00 1.98 O ATOM 0 H GLU A 43 33.605 1.399 -4.744 1.00 1.16 H new ATOM 0 HA GLU A 43 36.112 0.098 -4.733 1.00 1.22 H new ATOM 0 HB2 GLU A 43 34.055 0.077 -6.389 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.882 1.420 -7.152 1.00 1.27 H new ATOM 0 HG2 GLU A 43 35.336 -0.942 -8.065 1.00 1.60 H new ATOM 0 HG3 GLU A 43 36.714 0.108 -7.800 1.00 1.60 H new ATOM 717 N LYS A 44 36.149 3.290 -5.495 1.00 1.18 N ATOM 718 CA LYS A 44 37.032 4.439 -5.669 1.00 1.20 C ATOM 719 C LYS A 44 37.759 4.762 -4.367 1.00 1.20 C ATOM 720 O LYS A 44 38.919 5.179 -4.386 1.00 1.25 O ATOM 721 CB LYS A 44 36.241 5.664 -6.140 1.00 1.22 C ATOM 722 CG LYS A 44 35.462 5.444 -7.425 1.00 1.25 C ATOM 723 CD LYS A 44 36.345 4.906 -8.540 1.00 1.46 C ATOM 724 CE LYS A 44 35.553 4.746 -9.827 1.00 1.75 C ATOM 725 NZ LYS A 44 36.319 4.000 -10.855 1.00 2.12 N ATOM 0 H LYS A 44 35.155 3.517 -5.490 1.00 1.18 H new ATOM 0 HA LYS A 44 37.769 4.183 -6.430 1.00 1.20 H new ATOM 0 HB2 LYS A 44 35.547 5.959 -5.353 1.00 1.22 H new ATOM 0 HB3 LYS A 44 36.931 6.495 -6.284 1.00 1.22 H new ATOM 0 HG2 LYS A 44 34.646 4.746 -7.239 1.00 1.25 H new ATOM 0 HG3 LYS A 44 35.011 6.385 -7.741 1.00 1.25 H new ATOM 0 HD2 LYS A 44 37.183 5.583 -8.705 1.00 1.46 H new ATOM 0 HD3 LYS A 44 36.766 3.945 -8.245 1.00 1.46 H new ATOM 0 HE2 LYS A 44 34.620 4.222 -9.617 1.00 1.75 H new ATOM 0 HE3 LYS A 44 35.286 5.729 -10.215 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 35.746 3.911 -11.718 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 37.197 4.513 -11.074 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 36.552 3.052 -10.495 1.00 2.12 H new ATOM 739 N ALA A 45 37.081 4.555 -3.242 1.00 1.17 N ATOM 740 CA ALA A 45 37.654 4.832 -1.927 1.00 1.18 C ATOM 741 C ALA A 45 38.715 3.800 -1.543 1.00 1.18 C ATOM 742 O ALA A 45 39.525 4.030 -0.652 1.00 1.19 O ATOM 743 CB ALA A 45 36.551 4.858 -0.881 1.00 1.21 C ATOM 0 H ALA A 45 36.127 4.194 -3.214 1.00 1.17 H new ATOM 0 HA ALA A 45 38.141 5.806 -1.972 1.00 1.18 H new ATOM 0 HB1 ALA A 45 36.983 5.065 0.098 1.00 1.21 H new ATOM 0 HB2 ALA A 45 35.830 5.636 -1.132 1.00 1.21 H new ATOM 0 HB3 ALA A 45 36.048 3.891 -0.859 1.00 1.21 H new ATOM 749 N LYS A 46 38.704 2.662 -2.224 1.00 1.21 N ATOM 750 CA LYS A 46 39.660 1.594 -1.955 1.00 1.24 C ATOM 751 C LYS A 46 41.074 1.969 -2.398 1.00 1.24 C ATOM 752 O LYS A 46 42.042 1.323 -2.013 1.00 1.27 O ATOM 753 CB LYS A 46 39.221 0.309 -2.657 1.00 1.32 C ATOM 754 CG LYS A 46 38.269 -0.538 -1.831 1.00 1.61 C ATOM 755 CD LYS A 46 37.551 -1.564 -2.690 1.00 2.02 C ATOM 756 CE LYS A 46 38.526 -2.545 -3.318 1.00 2.38 C ATOM 757 NZ LYS A 46 37.868 -3.417 -4.321 1.00 2.75 N ATOM 0 H LYS A 46 38.041 2.453 -2.970 1.00 1.21 H new ATOM 0 HA LYS A 46 39.680 1.436 -0.877 1.00 1.24 H new ATOM 0 HB2 LYS A 46 38.740 0.566 -3.601 1.00 1.32 H new ATOM 0 HB3 LYS A 46 40.104 -0.283 -2.900 1.00 1.32 H new ATOM 0 HG2 LYS A 46 38.823 -1.046 -1.042 1.00 1.61 H new ATOM 0 HG3 LYS A 46 37.537 0.106 -1.343 1.00 1.61 H new ATOM 0 HD2 LYS A 46 36.828 -2.107 -2.082 1.00 2.02 H new ATOM 0 HD3 LYS A 46 36.990 -1.055 -3.474 1.00 2.02 H new ATOM 0 HE2 LYS A 46 39.338 -1.995 -3.793 1.00 2.38 H new ATOM 0 HE3 LYS A 46 38.972 -3.162 -2.538 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 38.224 -4.389 -4.223 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 36.839 -3.408 -4.167 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 38.078 -3.066 -5.277 1.00 2.75 H new ATOM 771 N THR A 47 41.192 3.012 -3.208 1.00 1.23 N ATOM 772 CA THR A 47 42.496 3.439 -3.701 1.00 1.26 C ATOM 773 C THR A 47 43.050 4.628 -2.911 1.00 1.21 C ATOM 774 O THR A 47 44.168 5.077 -3.161 1.00 1.30 O ATOM 775 CB THR A 47 42.402 3.800 -5.197 1.00 1.39 C ATOM 776 OG1 THR A 47 41.538 2.858 -5.854 1.00 1.54 O ATOM 777 CG2 THR A 47 43.770 3.786 -5.872 1.00 1.62 C ATOM 0 H THR A 47 40.407 3.575 -3.536 1.00 1.23 H new ATOM 0 HA THR A 47 43.185 2.605 -3.566 1.00 1.26 H new ATOM 0 HB THR A 47 42.001 4.810 -5.276 1.00 1.39 H new ATOM 0 HG1 THR A 47 41.472 3.083 -6.806 1.00 1.54 H new ATOM 0 HG21 THR A 47 43.659 4.046 -6.925 1.00 1.62 H new ATOM 0 HG22 THR A 47 44.423 4.511 -5.386 1.00 1.62 H new ATOM 0 HG23 THR A 47 44.207 2.791 -5.788 1.00 1.62 H new ATOM 785 N ASP A 48 42.290 5.121 -1.937 1.00 1.15 N ATOM 786 CA ASP A 48 42.733 6.265 -1.145 1.00 1.15 C ATOM 787 C ASP A 48 42.374 6.085 0.329 1.00 1.09 C ATOM 788 O ASP A 48 41.217 5.832 0.664 1.00 1.06 O ATOM 789 CB ASP A 48 42.106 7.553 -1.680 1.00 1.24 C ATOM 790 CG ASP A 48 42.607 8.787 -0.956 1.00 1.32 C ATOM 791 OD1 ASP A 48 43.679 9.305 -1.327 1.00 1.50 O ATOM 792 OD2 ASP A 48 41.930 9.251 -0.022 1.00 1.41 O ATOM 0 H ASP A 48 41.375 4.752 -1.679 1.00 1.15 H new ATOM 0 HA ASP A 48 43.818 6.332 -1.228 1.00 1.15 H new ATOM 0 HB2 ASP A 48 42.326 7.646 -2.744 1.00 1.24 H new ATOM 0 HB3 ASP A 48 41.022 7.493 -1.582 1.00 1.24 H new ATOM 797 N PRO A 49 43.361 6.233 1.229 1.00 1.12 N ATOM 798 CA PRO A 49 43.155 6.071 2.679 1.00 1.13 C ATOM 799 C PRO A 49 42.165 7.083 3.259 1.00 1.17 C ATOM 800 O PRO A 49 41.366 6.751 4.134 1.00 1.18 O ATOM 801 CB PRO A 49 44.554 6.290 3.271 1.00 1.22 C ATOM 802 CG PRO A 49 45.310 7.031 2.222 1.00 1.25 C ATOM 803 CD PRO A 49 44.756 6.569 0.905 1.00 1.19 C ATOM 0 HA PRO A 49 42.724 5.097 2.913 1.00 1.13 H new ATOM 0 HB2 PRO A 49 44.504 6.861 4.198 1.00 1.22 H new ATOM 0 HB3 PRO A 49 45.035 5.341 3.507 1.00 1.22 H new ATOM 0 HG2 PRO A 49 45.187 8.108 2.340 1.00 1.25 H new ATOM 0 HG3 PRO A 49 46.378 6.822 2.290 1.00 1.25 H new ATOM 0 HD2 PRO A 49 44.817 7.349 0.146 1.00 1.19 H new ATOM 0 HD3 PRO A 49 45.299 5.706 0.520 1.00 1.19 H new ATOM 811 N GLN A 50 42.203 8.312 2.759 1.00 1.23 N ATOM 812 CA GLN A 50 41.305 9.354 3.244 1.00 1.30 C ATOM 813 C GLN A 50 39.884 9.059 2.793 1.00 1.21 C ATOM 814 O GLN A 50 38.939 9.173 3.576 1.00 1.22 O ATOM 815 CB GLN A 50 41.735 10.737 2.746 1.00 1.43 C ATOM 816 CG GLN A 50 42.993 11.273 3.414 1.00 1.59 C ATOM 817 CD GLN A 50 44.278 10.694 2.838 1.00 1.77 C ATOM 818 OE1 GLN A 50 44.271 10.365 1.556 1.00 2.00 O flip ATOM 819 NE2 GLN A 50 45.273 10.546 3.547 1.00 1.96 N flip ATOM 0 H GLN A 50 42.842 8.611 2.022 1.00 1.23 H new ATOM 0 HA GLN A 50 41.349 9.360 4.333 1.00 1.30 H new ATOM 0 HB2 GLN A 50 41.900 10.689 1.670 1.00 1.43 H new ATOM 0 HB3 GLN A 50 40.920 11.441 2.912 1.00 1.43 H new ATOM 0 HG2 GLN A 50 43.015 12.358 3.313 1.00 1.59 H new ATOM 0 HG3 GLN A 50 42.951 11.053 4.481 1.00 1.59 H new ATOM 0 HE21 GLN A 50 45.242 10.811 4.532 1.00 1.96 H new ATOM 0 HE22 GLN A 50 46.129 10.158 3.150 1.00 1.96 H new ATOM 828 N ALA A 51 39.749 8.667 1.528 1.00 1.16 N ATOM 829 CA ALA A 51 38.454 8.334 0.954 1.00 1.11 C ATOM 830 C ALA A 51 37.839 7.141 1.676 1.00 1.02 C ATOM 831 O ALA A 51 36.626 7.082 1.875 1.00 1.00 O ATOM 832 CB ALA A 51 38.593 8.043 -0.533 1.00 1.15 C ATOM 0 H ALA A 51 40.530 8.573 0.879 1.00 1.16 H new ATOM 0 HA ALA A 51 37.791 9.190 1.079 1.00 1.11 H new ATOM 0 HB1 ALA A 51 37.616 7.796 -0.948 1.00 1.15 H new ATOM 0 HB2 ALA A 51 38.991 8.922 -1.040 1.00 1.15 H new ATOM 0 HB3 ALA A 51 39.272 7.203 -0.677 1.00 1.15 H new ATOM 838 N ALA A 52 38.688 6.192 2.067 1.00 1.01 N ATOM 839 CA ALA A 52 38.231 5.012 2.788 1.00 1.01 C ATOM 840 C ALA A 52 37.615 5.417 4.124 1.00 1.04 C ATOM 841 O ALA A 52 36.585 4.888 4.528 1.00 1.05 O ATOM 842 CB ALA A 52 39.385 4.041 2.993 1.00 1.07 C ATOM 0 H ALA A 52 39.693 6.220 1.896 1.00 1.01 H new ATOM 0 HA ALA A 52 37.465 4.510 2.197 1.00 1.01 H new ATOM 0 HB1 ALA A 52 39.030 3.163 3.533 1.00 1.07 H new ATOM 0 HB2 ALA A 52 39.780 3.736 2.024 1.00 1.07 H new ATOM 0 HB3 ALA A 52 40.172 4.528 3.569 1.00 1.07 H new ATOM 848 N GLU A 53 38.247 6.379 4.794 1.00 1.10 N ATOM 849 CA GLU A 53 37.757 6.872 6.077 1.00 1.20 C ATOM 850 C GLU A 53 36.436 7.622 5.876 1.00 1.18 C ATOM 851 O GLU A 53 35.544 7.585 6.725 1.00 1.23 O ATOM 852 CB GLU A 53 38.807 7.784 6.725 1.00 1.32 C ATOM 853 CG GLU A 53 38.329 8.493 7.983 1.00 1.52 C ATOM 854 CD GLU A 53 37.834 7.535 9.049 1.00 1.64 C ATOM 855 OE1 GLU A 53 38.600 6.641 9.459 1.00 1.87 O ATOM 856 OE2 GLU A 53 36.669 7.671 9.480 1.00 1.65 O ATOM 0 H GLU A 53 39.101 6.832 4.468 1.00 1.10 H new ATOM 0 HA GLU A 53 37.578 6.028 6.743 1.00 1.20 H new ATOM 0 HB2 GLU A 53 39.687 7.189 6.969 1.00 1.32 H new ATOM 0 HB3 GLU A 53 39.120 8.532 5.997 1.00 1.32 H new ATOM 0 HG2 GLU A 53 39.145 9.090 8.389 1.00 1.52 H new ATOM 0 HG3 GLU A 53 37.527 9.184 7.722 1.00 1.52 H new ATOM 863 N LYS A 54 36.312 8.290 4.737 1.00 1.14 N ATOM 864 CA LYS A 54 35.100 9.032 4.421 1.00 1.15 C ATOM 865 C LYS A 54 33.929 8.073 4.235 1.00 1.06 C ATOM 866 O LYS A 54 32.847 8.277 4.786 1.00 1.08 O ATOM 867 CB LYS A 54 35.300 9.887 3.164 1.00 1.20 C ATOM 868 CG LYS A 54 36.425 10.904 3.292 1.00 1.43 C ATOM 869 CD LYS A 54 36.560 11.758 2.040 1.00 1.56 C ATOM 870 CE LYS A 54 35.353 12.662 1.848 1.00 1.86 C ATOM 871 NZ LYS A 54 35.624 13.752 0.870 1.00 2.25 N ATOM 0 H LYS A 54 37.034 8.333 4.018 1.00 1.14 H new ATOM 0 HA LYS A 54 34.876 9.699 5.253 1.00 1.15 H new ATOM 0 HB2 LYS A 54 35.508 9.232 2.318 1.00 1.20 H new ATOM 0 HB3 LYS A 54 34.371 10.411 2.940 1.00 1.20 H new ATOM 0 HG2 LYS A 54 36.238 11.547 4.152 1.00 1.43 H new ATOM 0 HG3 LYS A 54 37.365 10.385 3.481 1.00 1.43 H new ATOM 0 HD2 LYS A 54 37.463 12.365 2.108 1.00 1.56 H new ATOM 0 HD3 LYS A 54 36.675 11.113 1.169 1.00 1.56 H new ATOM 0 HE2 LYS A 54 34.506 12.068 1.504 1.00 1.86 H new ATOM 0 HE3 LYS A 54 35.069 13.097 2.806 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 34.776 14.346 0.768 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 36.416 14.335 1.210 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 35.870 13.338 -0.052 1.00 2.25 H new ATOM 885 N LEU A 55 34.168 7.008 3.483 1.00 0.98 N ATOM 886 CA LEU A 55 33.145 6.003 3.226 1.00 0.95 C ATOM 887 C LEU A 55 32.815 5.244 4.508 1.00 0.98 C ATOM 888 O LEU A 55 31.705 4.743 4.678 1.00 1.00 O ATOM 889 CB LEU A 55 33.619 5.019 2.149 1.00 0.93 C ATOM 890 CG LEU A 55 32.944 5.159 0.782 1.00 1.05 C ATOM 891 CD1 LEU A 55 31.463 4.836 0.881 1.00 1.34 C ATOM 892 CD2 LEU A 55 33.147 6.558 0.222 1.00 1.22 C ATOM 0 H LEU A 55 35.066 6.817 3.038 1.00 0.98 H new ATOM 0 HA LEU A 55 32.248 6.510 2.871 1.00 0.95 H new ATOM 0 HB2 LEU A 55 34.694 5.142 2.018 1.00 0.93 H new ATOM 0 HB3 LEU A 55 33.456 4.004 2.512 1.00 0.93 H new ATOM 0 HG LEU A 55 33.407 4.446 0.100 1.00 1.05 H new ATOM 0 HD11 LEU A 55 31.001 4.941 -0.101 1.00 1.34 H new ATOM 0 HD12 LEU A 55 31.337 3.812 1.234 1.00 1.34 H new ATOM 0 HD13 LEU A 55 30.987 5.522 1.581 1.00 1.34 H new ATOM 0 HD21 LEU A 55 32.659 6.635 -0.750 1.00 1.22 H new ATOM 0 HD22 LEU A 55 32.714 7.289 0.904 1.00 1.22 H new ATOM 0 HD23 LEU A 55 34.213 6.754 0.109 1.00 1.22 H new ATOM 904 N ASN A 56 33.796 5.165 5.401 1.00 1.04 N ATOM 905 CA ASN A 56 33.641 4.478 6.682 1.00 1.14 C ATOM 906 C ASN A 56 32.505 5.096 7.498 1.00 1.19 C ATOM 907 O ASN A 56 31.602 4.397 7.958 1.00 1.25 O ATOM 908 CB ASN A 56 34.959 4.547 7.468 1.00 1.25 C ATOM 909 CG ASN A 56 34.837 4.033 8.893 1.00 1.42 C ATOM 910 OD1 ASN A 56 34.135 3.061 9.161 1.00 1.48 O ATOM 911 ND2 ASN A 56 35.517 4.697 9.816 1.00 1.57 N ATOM 0 H ASN A 56 34.720 5.574 5.259 1.00 1.04 H new ATOM 0 HA ASN A 56 33.390 3.435 6.490 1.00 1.14 H new ATOM 0 HB2 ASN A 56 35.718 3.966 6.943 1.00 1.25 H new ATOM 0 HB3 ASN A 56 35.307 5.580 7.490 1.00 1.25 H new ATOM 0 HD21 ASN A 56 35.469 4.406 10.792 1.00 1.57 H new ATOM 0 HD22 ASN A 56 36.088 5.499 9.550 1.00 1.57 H new ATOM 918 N LYS A 57 32.541 6.411 7.647 1.00 1.20 N ATOM 919 CA LYS A 57 31.521 7.116 8.410 1.00 1.28 C ATOM 920 C LYS A 57 30.248 7.324 7.593 1.00 1.22 C ATOM 921 O LYS A 57 29.147 7.320 8.145 1.00 1.27 O ATOM 922 CB LYS A 57 32.061 8.456 8.915 1.00 1.39 C ATOM 923 CG LYS A 57 32.767 9.289 7.849 1.00 1.52 C ATOM 924 CD LYS A 57 33.144 10.665 8.373 1.00 1.63 C ATOM 925 CE LYS A 57 34.114 10.583 9.539 1.00 1.74 C ATOM 926 NZ LYS A 57 35.445 10.065 9.129 1.00 1.86 N ATOM 0 H LYS A 57 33.264 7.012 7.251 1.00 1.20 H new ATOM 0 HA LYS A 57 31.263 6.495 9.268 1.00 1.28 H new ATOM 0 HB2 LYS A 57 31.235 9.036 9.325 1.00 1.39 H new ATOM 0 HB3 LYS A 57 32.756 8.269 9.733 1.00 1.39 H new ATOM 0 HG2 LYS A 57 33.664 8.768 7.514 1.00 1.52 H new ATOM 0 HG3 LYS A 57 32.117 9.395 6.980 1.00 1.52 H new ATOM 0 HD2 LYS A 57 33.592 11.249 7.569 1.00 1.63 H new ATOM 0 HD3 LYS A 57 32.243 11.193 8.687 1.00 1.63 H new ATOM 0 HE2 LYS A 57 34.232 11.572 9.981 1.00 1.74 H new ATOM 0 HE3 LYS A 57 33.697 9.936 10.311 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 36.191 10.660 9.542 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 35.556 9.087 9.465 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 35.521 10.085 8.092 1.00 1.86 H new ATOM 940 N LEU A 58 30.397 7.496 6.283 1.00 1.12 N ATOM 941 CA LEU A 58 29.248 7.702 5.404 1.00 1.10 C ATOM 942 C LEU A 58 28.311 6.500 5.440 1.00 1.08 C ATOM 943 O LEU A 58 27.100 6.646 5.607 1.00 1.11 O ATOM 944 CB LEU A 58 29.705 7.967 3.964 1.00 1.06 C ATOM 945 CG LEU A 58 29.511 9.402 3.469 1.00 1.22 C ATOM 946 CD1 LEU A 58 28.045 9.803 3.535 1.00 1.35 C ATOM 947 CD2 LEU A 58 30.371 10.365 4.270 1.00 1.39 C ATOM 0 H LEU A 58 31.299 7.497 5.807 1.00 1.12 H new ATOM 0 HA LEU A 58 28.706 8.576 5.766 1.00 1.10 H new ATOM 0 HB2 LEU A 58 30.762 7.712 3.883 1.00 1.06 H new ATOM 0 HB3 LEU A 58 29.163 7.295 3.299 1.00 1.06 H new ATOM 0 HG LEU A 58 29.827 9.449 2.427 1.00 1.22 H new ATOM 0 HD11 LEU A 58 27.931 10.827 3.178 1.00 1.35 H new ATOM 0 HD12 LEU A 58 27.456 9.133 2.909 1.00 1.35 H new ATOM 0 HD13 LEU A 58 27.696 9.737 4.565 1.00 1.35 H new ATOM 0 HD21 LEU A 58 30.219 11.380 3.903 1.00 1.39 H new ATOM 0 HD22 LEU A 58 30.091 10.314 5.322 1.00 1.39 H new ATOM 0 HD23 LEU A 58 31.421 10.093 4.160 1.00 1.39 H new ATOM 959 N ILE A 59 28.882 5.309 5.304 1.00 1.07 N ATOM 960 CA ILE A 59 28.096 4.085 5.324 1.00 1.12 C ATOM 961 C ILE A 59 27.513 3.861 6.719 1.00 1.22 C ATOM 962 O ILE A 59 26.410 3.333 6.867 1.00 1.28 O ATOM 963 CB ILE A 59 28.913 2.852 4.856 1.00 1.15 C ATOM 964 CG1 ILE A 59 27.972 1.751 4.361 1.00 1.28 C ATOM 965 CG2 ILE A 59 29.814 2.312 5.962 1.00 1.26 C ATOM 966 CD1 ILE A 59 27.187 2.130 3.121 1.00 1.39 C ATOM 0 H ILE A 59 29.884 5.167 5.179 1.00 1.07 H new ATOM 0 HA ILE A 59 27.279 4.204 4.612 1.00 1.12 H new ATOM 0 HB ILE A 59 29.555 3.177 4.037 1.00 1.15 H new ATOM 0 HG12 ILE A 59 28.555 0.855 4.151 1.00 1.28 H new ATOM 0 HG13 ILE A 59 27.274 1.497 5.158 1.00 1.28 H new ATOM 0 HG21 ILE A 59 30.368 1.449 5.591 1.00 1.26 H new ATOM 0 HG22 ILE A 59 30.515 3.087 6.271 1.00 1.26 H new ATOM 0 HG23 ILE A 59 29.204 2.013 6.814 1.00 1.26 H new ATOM 0 HD11 ILE A 59 26.543 1.300 2.830 1.00 1.39 H new ATOM 0 HD12 ILE A 59 26.576 3.008 3.331 1.00 1.39 H new ATOM 0 HD13 ILE A 59 27.877 2.355 2.308 1.00 1.39 H new ATOM 978 N GLU A 60 28.269 4.274 7.734 1.00 1.27 N ATOM 979 CA GLU A 60 27.849 4.142 9.125 1.00 1.41 C ATOM 980 C GLU A 60 26.537 4.888 9.354 1.00 1.39 C ATOM 981 O GLU A 60 25.600 4.352 9.953 1.00 1.49 O ATOM 982 CB GLU A 60 28.937 4.687 10.050 1.00 1.52 C ATOM 983 CG GLU A 60 28.582 4.629 11.522 1.00 1.73 C ATOM 984 CD GLU A 60 29.684 5.182 12.398 1.00 2.09 C ATOM 985 OE1 GLU A 60 29.726 6.413 12.604 1.00 2.28 O ATOM 986 OE2 GLU A 60 30.516 4.391 12.888 1.00 2.61 O ATOM 0 H GLU A 60 29.185 4.707 7.615 1.00 1.27 H new ATOM 0 HA GLU A 60 27.691 3.087 9.348 1.00 1.41 H new ATOM 0 HB2 GLU A 60 29.855 4.123 9.886 1.00 1.52 H new ATOM 0 HB3 GLU A 60 29.146 5.722 9.778 1.00 1.52 H new ATOM 0 HG2 GLU A 60 27.665 5.193 11.695 1.00 1.73 H new ATOM 0 HG3 GLU A 60 28.379 3.596 11.805 1.00 1.73 H new ATOM 993 N GLY A 61 26.480 6.120 8.859 1.00 1.30 N ATOM 994 CA GLY A 61 25.283 6.926 8.992 1.00 1.30 C ATOM 995 C GLY A 61 24.086 6.270 8.343 1.00 1.26 C ATOM 996 O GLY A 61 22.984 6.296 8.886 1.00 1.27 O ATOM 0 H GLY A 61 27.247 6.576 8.365 1.00 1.30 H new ATOM 0 HA2 GLY A 61 25.075 7.096 10.048 1.00 1.30 H new ATOM 0 HA3 GLY A 61 25.451 7.903 8.539 1.00 1.30 H new ATOM 1000 N TYR A 62 24.308 5.672 7.176 1.00 1.25 N ATOM 1001 CA TYR A 62 23.243 4.989 6.453 1.00 1.31 C ATOM 1002 C TYR A 62 22.838 3.715 7.178 1.00 1.43 C ATOM 1003 O TYR A 62 21.693 3.280 7.096 1.00 1.47 O ATOM 1004 CB TYR A 62 23.678 4.664 5.022 1.00 1.39 C ATOM 1005 CG TYR A 62 23.695 5.867 4.108 1.00 1.59 C ATOM 1006 CD1 TYR A 62 22.581 6.685 3.992 1.00 2.03 C ATOM 1007 CD2 TYR A 62 24.826 6.188 3.368 1.00 2.27 C ATOM 1008 CE1 TYR A 62 22.588 7.790 3.163 1.00 2.60 C ATOM 1009 CE2 TYR A 62 24.843 7.292 2.537 1.00 2.80 C ATOM 1010 CZ TYR A 62 23.723 8.090 2.437 1.00 2.80 C ATOM 1011 OH TYR A 62 23.738 9.187 1.606 1.00 3.54 O ATOM 0 H TYR A 62 25.216 5.647 6.712 1.00 1.25 H new ATOM 0 HA TYR A 62 22.383 5.657 6.409 1.00 1.31 H new ATOM 0 HB2 TYR A 62 24.674 4.222 5.045 1.00 1.39 H new ATOM 0 HB3 TYR A 62 23.005 3.913 4.608 1.00 1.39 H new ATOM 0 HD1 TYR A 62 21.692 6.454 4.560 1.00 2.03 H new ATOM 0 HD2 TYR A 62 25.705 5.565 3.443 1.00 2.27 H new ATOM 0 HE1 TYR A 62 21.711 8.415 3.083 1.00 2.60 H new ATOM 0 HE2 TYR A 62 25.730 7.529 1.968 1.00 2.80 H new ATOM 0 HH TYR A 62 24.613 9.255 1.170 1.00 3.54 H new ATOM 1021 N THR A 63 23.781 3.128 7.902 1.00 1.55 N ATOM 1022 CA THR A 63 23.513 1.907 8.648 1.00 1.74 C ATOM 1023 C THR A 63 22.587 2.196 9.820 1.00 1.68 C ATOM 1024 O THR A 63 21.631 1.461 10.067 1.00 1.81 O ATOM 1025 CB THR A 63 24.816 1.278 9.177 1.00 1.96 C ATOM 1026 OG1 THR A 63 25.726 1.073 8.090 1.00 2.00 O ATOM 1027 CG2 THR A 63 24.554 -0.048 9.882 1.00 2.37 C ATOM 0 H THR A 63 24.736 3.477 7.988 1.00 1.55 H new ATOM 0 HA THR A 63 23.035 1.203 7.966 1.00 1.74 H new ATOM 0 HB THR A 63 25.250 1.965 9.904 1.00 1.96 H new ATOM 0 HG1 THR A 63 26.220 1.902 7.916 1.00 2.00 H new ATOM 0 HG21 THR A 63 25.496 -0.461 10.241 1.00 2.37 H new ATOM 0 HG22 THR A 63 23.884 0.115 10.726 1.00 2.37 H new ATOM 0 HG23 THR A 63 24.094 -0.747 9.183 1.00 2.37 H new ATOM 1035 N TYR A 64 22.865 3.283 10.525 1.00 1.56 N ATOM 1036 CA TYR A 64 22.067 3.687 11.674 1.00 1.61 C ATOM 1037 C TYR A 64 20.963 4.637 11.236 1.00 1.32 C ATOM 1038 O TYR A 64 20.578 5.544 11.976 1.00 1.40 O ATOM 1039 CB TYR A 64 22.952 4.353 12.724 1.00 1.89 C ATOM 1040 CG TYR A 64 23.943 3.398 13.358 1.00 2.36 C ATOM 1041 CD1 TYR A 64 23.507 2.291 14.078 1.00 2.88 C ATOM 1042 CD2 TYR A 64 25.312 3.597 13.225 1.00 2.94 C ATOM 1043 CE1 TYR A 64 24.405 1.412 14.651 1.00 3.56 C ATOM 1044 CE2 TYR A 64 26.218 2.721 13.795 1.00 3.61 C ATOM 1045 CZ TYR A 64 25.758 1.628 14.508 1.00 3.79 C ATOM 1046 OH TYR A 64 26.651 0.747 15.080 1.00 4.61 O ATOM 0 H TYR A 64 23.645 3.907 10.319 1.00 1.56 H new ATOM 0 HA TYR A 64 21.612 2.800 12.115 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.495 5.178 12.263 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.322 4.783 13.502 1.00 1.89 H new ATOM 0 HD1 TYR A 64 22.447 2.116 14.191 1.00 2.88 H new ATOM 0 HD2 TYR A 64 25.674 4.449 12.668 1.00 2.94 H new ATOM 0 HE1 TYR A 64 24.048 0.559 15.209 1.00 3.56 H new ATOM 0 HE2 TYR A 64 27.279 2.889 13.684 1.00 3.61 H new ATOM 0 HH TYR A 64 27.567 1.038 14.887 1.00 4.61 H new ATOM 1056 N GLY A 65 20.483 4.429 10.016 1.00 1.16 N ATOM 1057 CA GLY A 65 19.436 5.256 9.463 1.00 1.08 C ATOM 1058 C GLY A 65 18.129 5.148 10.217 1.00 1.03 C ATOM 1059 O GLY A 65 17.345 4.216 10.001 1.00 1.02 O ATOM 0 H GLY A 65 20.809 3.689 9.394 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.764 6.295 9.465 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.272 4.975 8.423 1.00 1.08 H new ATOM 1063 N GLU A 66 17.896 6.104 11.106 1.00 1.04 N ATOM 1064 CA GLU A 66 16.675 6.141 11.894 1.00 1.03 C ATOM 1065 C GLU A 66 15.489 6.480 11.003 1.00 0.98 C ATOM 1066 O GLU A 66 14.344 6.124 11.304 1.00 0.98 O ATOM 1067 CB GLU A 66 16.803 7.173 13.017 1.00 1.10 C ATOM 1068 CG GLU A 66 17.794 6.778 14.098 1.00 1.55 C ATOM 1069 CD GLU A 66 17.426 5.469 14.761 1.00 1.48 C ATOM 1070 OE1 GLU A 66 17.751 4.404 14.208 1.00 1.73 O ATOM 1071 OE2 GLU A 66 16.792 5.497 15.834 1.00 1.79 O ATOM 0 H GLU A 66 18.543 6.869 11.299 1.00 1.04 H new ATOM 0 HA GLU A 66 16.513 5.159 12.338 1.00 1.03 H new ATOM 0 HB2 GLU A 66 17.108 8.128 12.588 1.00 1.10 H new ATOM 0 HB3 GLU A 66 15.824 7.326 13.472 1.00 1.10 H new ATOM 0 HG2 GLU A 66 18.790 6.695 13.663 1.00 1.55 H new ATOM 0 HG3 GLU A 66 17.840 7.564 14.851 1.00 1.55 H new ATOM 1078 N GLU A 67 15.774 7.142 9.887 1.00 0.98 N ATOM 1079 CA GLU A 67 14.741 7.531 8.944 1.00 0.98 C ATOM 1080 C GLU A 67 14.270 6.313 8.154 1.00 0.95 C ATOM 1081 O GLU A 67 13.089 6.186 7.842 1.00 0.93 O ATOM 1082 CB GLU A 67 15.230 8.650 8.005 1.00 1.05 C ATOM 1083 CG GLU A 67 16.741 8.712 7.826 1.00 1.33 C ATOM 1084 CD GLU A 67 17.275 7.571 6.993 1.00 1.79 C ATOM 1085 OE1 GLU A 67 17.311 7.705 5.755 1.00 2.46 O ATOM 1086 OE2 GLU A 67 17.640 6.537 7.570 1.00 2.37 O ATOM 0 H GLU A 67 16.717 7.420 9.616 1.00 0.98 H new ATOM 0 HA GLU A 67 13.895 7.930 9.505 1.00 0.98 H new ATOM 0 HB2 GLU A 67 14.767 8.514 7.028 1.00 1.05 H new ATOM 0 HB3 GLU A 67 14.883 9.608 8.392 1.00 1.05 H new ATOM 0 HG2 GLU A 67 17.009 9.658 7.354 1.00 1.33 H new ATOM 0 HG3 GLU A 67 17.220 8.697 8.805 1.00 1.33 H new ATOM 1093 N ARG A 68 15.196 5.412 7.845 1.00 0.97 N ATOM 1094 CA ARG A 68 14.861 4.196 7.118 1.00 0.99 C ATOM 1095 C ARG A 68 13.928 3.348 7.972 1.00 0.96 C ATOM 1096 O ARG A 68 13.006 2.701 7.468 1.00 0.97 O ATOM 1097 CB ARG A 68 16.124 3.410 6.764 1.00 1.06 C ATOM 1098 CG ARG A 68 15.897 2.298 5.747 1.00 1.17 C ATOM 1099 CD ARG A 68 15.673 0.952 6.416 1.00 1.27 C ATOM 1100 NE ARG A 68 15.211 -0.061 5.464 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.146 -0.838 5.658 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.418 -0.711 6.758 1.00 1.41 N ATOM 1103 NH2 ARG A 68 13.808 -1.741 4.747 1.00 1.70 N ATOM 0 H ARG A 68 16.183 5.502 8.087 1.00 0.97 H new ATOM 0 HA ARG A 68 14.362 4.461 6.186 1.00 0.99 H new ATOM 0 HB2 ARG A 68 16.871 4.100 6.372 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.537 2.977 7.675 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.034 2.543 5.128 1.00 1.17 H new ATOM 0 HG3 ARG A 68 16.758 2.234 5.082 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.601 0.618 6.879 1.00 1.27 H new ATOM 0 HD3 ARG A 68 14.939 1.061 7.215 1.00 1.27 H new ATOM 0 HE ARG A 68 15.738 -0.179 4.598 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.672 -0.016 7.460 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.604 -1.308 6.902 1.00 1.41 H new ATOM 0 HH21 ARG A 68 14.363 -1.841 3.897 1.00 1.70 H new ATOM 0 HH22 ARG A 68 12.993 -2.335 4.896 1.00 1.70 H new ATOM 1117 N LYS A 69 14.175 3.371 9.273 1.00 0.95 N ATOM 1118 CA LYS A 69 13.356 2.643 10.234 1.00 0.97 C ATOM 1119 C LYS A 69 11.968 3.269 10.298 1.00 0.91 C ATOM 1120 O LYS A 69 10.971 2.589 10.542 1.00 0.92 O ATOM 1121 CB LYS A 69 14.027 2.677 11.609 1.00 1.04 C ATOM 1122 CG LYS A 69 13.248 1.964 12.706 1.00 1.31 C ATOM 1123 CD LYS A 69 14.131 1.669 13.912 1.00 1.43 C ATOM 1124 CE LYS A 69 14.755 2.935 14.484 1.00 1.48 C ATOM 1125 NZ LYS A 69 15.978 2.641 15.273 1.00 1.54 N ATOM 0 H LYS A 69 14.945 3.892 9.692 1.00 0.95 H new ATOM 0 HA LYS A 69 13.256 1.604 9.921 1.00 0.97 H new ATOM 0 HB2 LYS A 69 15.015 2.224 11.529 1.00 1.04 H new ATOM 0 HB3 LYS A 69 14.175 3.716 11.902 1.00 1.04 H new ATOM 0 HG2 LYS A 69 12.403 2.580 13.014 1.00 1.31 H new ATOM 0 HG3 LYS A 69 12.838 1.032 12.317 1.00 1.31 H new ATOM 0 HD2 LYS A 69 13.539 1.176 14.683 1.00 1.43 H new ATOM 0 HD3 LYS A 69 14.920 0.974 13.623 1.00 1.43 H new ATOM 0 HE2 LYS A 69 15.003 3.617 13.671 1.00 1.48 H new ATOM 0 HE3 LYS A 69 14.028 3.444 15.117 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 15.909 3.099 16.204 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 16.071 1.613 15.399 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 16.812 3.005 14.770 1.00 1.54 H new ATOM 1139 N LEU A 70 11.919 4.572 10.061 1.00 0.90 N ATOM 1140 CA LEU A 70 10.666 5.308 10.062 1.00 0.88 C ATOM 1141 C LEU A 70 9.812 4.890 8.869 1.00 0.85 C ATOM 1142 O LEU A 70 8.606 4.692 9.004 1.00 0.85 O ATOM 1143 CB LEU A 70 10.944 6.811 10.015 1.00 0.93 C ATOM 1144 CG LEU A 70 9.714 7.709 9.860 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.972 7.823 11.181 1.00 1.14 C ATOM 1146 CD2 LEU A 70 10.126 9.083 9.352 1.00 1.15 C ATOM 0 H LEU A 70 12.740 5.144 9.864 1.00 0.90 H new ATOM 0 HA LEU A 70 10.121 5.080 10.978 1.00 0.88 H new ATOM 0 HB2 LEU A 70 11.465 7.094 10.930 1.00 0.93 H new ATOM 0 HB3 LEU A 70 11.623 7.010 9.186 1.00 0.93 H new ATOM 0 HG LEU A 70 9.042 7.260 9.129 1.00 1.01 H new ATOM 0 HD11 LEU A 70 8.100 8.465 11.054 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.650 6.833 11.504 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.633 8.253 11.934 1.00 1.14 H new ATOM 0 HD21 LEU A 70 9.242 9.712 9.246 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.815 9.542 10.061 1.00 1.15 H new ATOM 0 HD23 LEU A 70 10.617 8.981 8.384 1.00 1.15 H new ATOM 1158 N TYR A 71 10.447 4.742 7.706 1.00 0.84 N ATOM 1159 CA TYR A 71 9.739 4.330 6.493 1.00 0.86 C ATOM 1160 C TYR A 71 9.178 2.923 6.682 1.00 0.85 C ATOM 1161 O TYR A 71 8.071 2.610 6.242 1.00 0.85 O ATOM 1162 CB TYR A 71 10.667 4.354 5.266 1.00 0.91 C ATOM 1163 CG TYR A 71 11.504 5.614 5.122 1.00 0.92 C ATOM 1164 CD1 TYR A 71 10.990 6.867 5.433 1.00 0.94 C ATOM 1165 CD2 TYR A 71 12.824 5.540 4.686 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.766 8.009 5.312 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.603 6.678 4.561 1.00 1.05 C ATOM 1168 CZ TYR A 71 13.072 7.906 4.879 1.00 1.05 C ATOM 1169 OH TYR A 71 13.847 9.042 4.766 1.00 1.16 O ATOM 0 H TYR A 71 11.446 4.900 7.578 1.00 0.84 H new ATOM 0 HA TYR A 71 8.927 5.035 6.318 1.00 0.86 H new ATOM 0 HB2 TYR A 71 11.336 3.495 5.318 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.061 4.233 4.368 1.00 0.91 H new ATOM 0 HD1 TYR A 71 9.969 6.952 5.775 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.248 4.578 4.441 1.00 0.99 H new ATOM 0 HE1 TYR A 71 11.350 8.975 5.556 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.623 6.601 4.215 1.00 1.05 H new ATOM 0 HH TYR A 71 13.555 9.704 5.427 1.00 1.16 H new ATOM 1179 N ASP A 72 9.959 2.087 7.354 1.00 0.86 N ATOM 1180 CA ASP A 72 9.567 0.709 7.632 1.00 0.90 C ATOM 1181 C ASP A 72 8.349 0.685 8.545 1.00 0.87 C ATOM 1182 O ASP A 72 7.380 -0.034 8.293 1.00 0.87 O ATOM 1183 CB ASP A 72 10.721 -0.044 8.296 1.00 0.98 C ATOM 1184 CG ASP A 72 10.592 -1.549 8.166 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.942 -2.173 9.030 1.00 1.47 O ATOM 1186 OD2 ASP A 72 11.158 -2.112 7.203 1.00 1.48 O ATOM 0 H ASP A 72 10.876 2.341 7.720 1.00 0.86 H new ATOM 0 HA ASP A 72 9.318 0.222 6.689 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.662 0.275 7.849 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.763 0.223 9.352 1.00 0.98 H new ATOM 1191 N SER A 73 8.400 1.501 9.593 1.00 0.85 N ATOM 1192 CA SER A 73 7.315 1.595 10.563 1.00 0.85 C ATOM 1193 C SER A 73 6.048 2.153 9.917 1.00 0.81 C ATOM 1194 O SER A 73 4.932 1.877 10.367 1.00 0.80 O ATOM 1195 CB SER A 73 7.747 2.472 11.740 1.00 0.90 C ATOM 1196 OG SER A 73 8.913 1.950 12.361 1.00 0.96 O ATOM 0 H SER A 73 9.191 2.113 9.793 1.00 0.85 H new ATOM 0 HA SER A 73 7.089 0.593 10.928 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.939 3.487 11.391 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.939 2.533 12.469 1.00 0.90 H new ATOM 0 HG SER A 73 9.692 2.125 11.793 1.00 0.96 H new ATOM 1202 N ALA A 74 6.229 2.929 8.855 1.00 0.80 N ATOM 1203 CA ALA A 74 5.115 3.511 8.135 1.00 0.79 C ATOM 1204 C ALA A 74 4.340 2.414 7.419 1.00 0.76 C ATOM 1205 O ALA A 74 3.111 2.440 7.367 1.00 0.75 O ATOM 1206 CB ALA A 74 5.603 4.561 7.146 1.00 0.82 C ATOM 0 H ALA A 74 7.145 3.168 8.475 1.00 0.80 H new ATOM 0 HA ALA A 74 4.453 4.005 8.846 1.00 0.79 H new ATOM 0 HB1 ALA A 74 4.750 4.986 6.616 1.00 0.82 H new ATOM 0 HB2 ALA A 74 6.126 5.352 7.684 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.282 4.098 6.430 1.00 0.82 H new ATOM 1212 N LEU A 75 5.075 1.431 6.897 1.00 0.77 N ATOM 1213 CA LEU A 75 4.465 0.308 6.202 1.00 0.78 C ATOM 1214 C LEU A 75 3.680 -0.543 7.193 1.00 0.77 C ATOM 1215 O LEU A 75 2.663 -1.145 6.846 1.00 0.77 O ATOM 1216 CB LEU A 75 5.530 -0.542 5.497 1.00 0.83 C ATOM 1217 CG LEU A 75 5.273 -0.820 4.010 1.00 0.92 C ATOM 1218 CD1 LEU A 75 3.911 -1.472 3.804 1.00 1.13 C ATOM 1219 CD2 LEU A 75 5.384 0.458 3.190 1.00 1.15 C ATOM 0 H LEU A 75 6.093 1.394 6.945 1.00 0.77 H new ATOM 0 HA LEU A 75 3.785 0.695 5.443 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.493 -0.041 5.594 1.00 0.83 H new ATOM 0 HB3 LEU A 75 5.613 -1.496 6.018 1.00 0.83 H new ATOM 0 HG LEU A 75 6.038 -1.515 3.664 1.00 0.92 H new ATOM 0 HD11 LEU A 75 3.754 -1.658 2.742 1.00 1.13 H new ATOM 0 HD12 LEU A 75 3.874 -2.416 4.347 1.00 1.13 H new ATOM 0 HD13 LEU A 75 3.130 -0.808 4.175 1.00 1.13 H new ATOM 0 HD21 LEU A 75 5.198 0.234 2.140 1.00 1.15 H new ATOM 0 HD22 LEU A 75 4.649 1.182 3.543 1.00 1.15 H new ATOM 0 HD23 LEU A 75 6.385 0.875 3.300 1.00 1.15 H new ATOM 1231 N SER A 76 4.149 -0.572 8.438 1.00 0.78 N ATOM 1232 CA SER A 76 3.487 -1.327 9.489 1.00 0.80 C ATOM 1233 C SER A 76 2.101 -0.741 9.760 1.00 0.76 C ATOM 1234 O SER A 76 1.148 -1.468 10.041 1.00 0.77 O ATOM 1235 CB SER A 76 4.341 -1.296 10.757 1.00 0.85 C ATOM 1236 OG SER A 76 5.724 -1.251 10.434 1.00 0.88 O ATOM 0 H SER A 76 4.989 -0.078 8.741 1.00 0.78 H new ATOM 0 HA SER A 76 3.366 -2.363 9.171 1.00 0.80 H new ATOM 0 HB2 SER A 76 4.075 -0.427 11.359 1.00 0.85 H new ATOM 0 HB3 SER A 76 4.133 -2.178 11.362 1.00 0.85 H new ATOM 0 HG SER A 76 6.254 -1.390 11.246 1.00 0.88 H new ATOM 1242 N LYS A 77 1.992 0.582 9.654 1.00 0.75 N ATOM 1243 CA LYS A 77 0.722 1.263 9.868 1.00 0.74 C ATOM 1244 C LYS A 77 -0.227 0.971 8.715 1.00 0.71 C ATOM 1245 O LYS A 77 -1.435 0.866 8.905 1.00 0.70 O ATOM 1246 CB LYS A 77 0.925 2.772 10.021 1.00 0.76 C ATOM 1247 CG LYS A 77 1.529 3.176 11.355 1.00 0.90 C ATOM 1248 CD LYS A 77 1.306 4.652 11.641 1.00 0.98 C ATOM 1249 CE LYS A 77 -0.079 4.903 12.224 1.00 1.35 C ATOM 1250 NZ LYS A 77 -0.237 6.299 12.719 1.00 1.61 N ATOM 0 H LYS A 77 2.769 1.201 9.421 1.00 0.75 H new ATOM 0 HA LYS A 77 0.284 0.887 10.793 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.571 3.126 9.218 1.00 0.76 H new ATOM 0 HB3 LYS A 77 -0.036 3.273 9.901 1.00 0.76 H new ATOM 0 HG2 LYS A 77 1.087 2.579 12.152 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.598 2.962 11.352 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.065 5.008 12.337 1.00 0.98 H new ATOM 0 HD3 LYS A 77 1.424 5.224 10.721 1.00 0.98 H new ATOM 0 HE2 LYS A 77 -0.833 4.702 11.463 1.00 1.35 H new ATOM 0 HE3 LYS A 77 -0.258 4.206 13.043 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 -1.194 6.424 13.107 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 0.465 6.485 13.463 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 -0.092 6.964 11.933 1.00 1.61 H new ATOM 1264 N ILE A 78 0.338 0.831 7.520 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.446 0.530 6.328 1.00 0.71 C ATOM 1266 C ILE A 78 -1.117 -0.830 6.488 1.00 0.70 C ATOM 1267 O ILE A 78 -2.280 -1.013 6.129 1.00 0.69 O ATOM 1268 CB ILE A 78 0.436 0.523 5.055 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.123 1.880 4.874 1.00 1.04 C ATOM 1270 CG2 ILE A 78 -0.386 0.173 3.819 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.169 3.031 4.634 1.00 1.33 C ATOM 0 H ILE A 78 1.340 0.922 7.352 1.00 0.71 H new ATOM 0 HA ILE A 78 -1.200 1.309 6.215 1.00 0.71 H new ATOM 0 HB ILE A 78 1.201 -0.243 5.179 1.00 0.77 H new ATOM 0 HG12 ILE A 78 1.718 2.095 5.762 1.00 1.04 H new ATOM 0 HG13 ILE A 78 1.815 1.815 4.034 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.259 0.176 2.940 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.826 -0.816 3.943 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -1.179 0.909 3.689 1.00 0.84 H new ATOM 0 HD11 ILE A 78 0.736 3.955 4.516 1.00 1.33 H new ATOM 0 HD12 ILE A 78 -0.409 2.842 3.729 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.508 3.126 5.483 1.00 1.33 H new ATOM 1283 N GLU A 79 -0.375 -1.768 7.065 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.872 -3.118 7.295 1.00 0.74 C ATOM 1285 C GLU A 79 -2.095 -3.091 8.211 1.00 0.73 C ATOM 1286 O GLU A 79 -3.069 -3.811 7.988 1.00 0.74 O ATOM 1287 CB GLU A 79 0.238 -3.973 7.916 1.00 0.79 C ATOM 1288 CG GLU A 79 -0.029 -5.472 7.882 1.00 1.00 C ATOM 1289 CD GLU A 79 1.121 -6.280 8.456 1.00 1.32 C ATOM 1290 OE1 GLU A 79 2.153 -6.431 7.766 1.00 1.93 O ATOM 1291 OE2 GLU A 79 0.999 -6.770 9.601 1.00 1.95 O ATOM 0 H GLU A 79 0.582 -1.615 7.384 1.00 0.72 H new ATOM 0 HA GLU A 79 -1.171 -3.553 6.341 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.172 -3.771 7.392 1.00 0.79 H new ATOM 0 HB3 GLU A 79 0.381 -3.665 8.952 1.00 0.79 H new ATOM 0 HG2 GLU A 79 -0.937 -5.689 8.444 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -0.209 -5.783 6.853 1.00 1.00 H new ATOM 1298 N LYS A 80 -2.047 -2.227 9.223 1.00 0.72 N ATOM 1299 CA LYS A 80 -3.140 -2.099 10.175 1.00 0.73 C ATOM 1300 C LYS A 80 -4.377 -1.530 9.493 1.00 0.72 C ATOM 1301 O LYS A 80 -5.508 -1.888 9.828 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.723 -1.219 11.356 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.470 -1.710 12.066 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.332 -1.090 13.448 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.322 -1.688 14.442 1.00 1.35 C ATOM 1306 NZ LYS A 80 -2.191 -3.166 14.538 1.00 1.71 N ATOM 0 H LYS A 80 -1.259 -1.605 9.402 1.00 0.72 H new ATOM 0 HA LYS A 80 -3.383 -3.091 10.556 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.555 -0.203 11.000 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.543 -1.174 12.073 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.503 -2.796 12.155 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.592 -1.466 11.467 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.316 -1.240 13.813 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.491 -0.014 13.380 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.161 -1.245 15.425 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.338 -1.433 14.140 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -2.658 -3.500 15.405 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -2.640 -3.609 13.711 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -1.184 -3.424 14.565 1.00 1.71 H new ATOM 1320 N LEU A 81 -4.154 -0.657 8.514 1.00 0.69 N ATOM 1321 CA LEU A 81 -5.249 -0.053 7.766 1.00 0.71 C ATOM 1322 C LEU A 81 -5.926 -1.115 6.911 1.00 0.72 C ATOM 1323 O LEU A 81 -7.148 -1.133 6.779 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.744 1.102 6.887 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.117 2.511 7.370 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -6.628 2.712 7.347 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -4.563 2.764 8.766 1.00 0.94 C ATOM 0 H LEU A 81 -3.225 -0.353 8.222 1.00 0.69 H new ATOM 0 HA LEU A 81 -5.972 0.357 8.472 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.658 1.036 6.819 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -5.136 0.967 5.879 1.00 0.71 H new ATOM 0 HG LEU A 81 -4.669 3.233 6.687 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -6.867 3.718 7.693 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.997 2.582 6.330 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.102 1.981 8.001 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -4.838 3.768 9.090 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -4.977 2.032 9.460 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -3.477 2.673 8.748 1.00 0.94 H new ATOM 1339 N ILE A 82 -5.117 -2.013 6.353 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.628 -3.101 5.531 1.00 0.76 C ATOM 1341 C ILE A 82 -6.537 -3.994 6.369 1.00 0.80 C ATOM 1342 O ILE A 82 -7.635 -4.364 5.950 1.00 0.84 O ATOM 1343 CB ILE A 82 -4.477 -3.947 4.929 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -3.567 -3.074 4.051 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -5.032 -5.121 4.134 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -2.362 -3.810 3.481 1.00 0.77 C ATOM 0 H ILE A 82 -4.102 -2.006 6.457 1.00 0.72 H new ATOM 0 HA ILE A 82 -6.193 -2.665 4.707 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.879 -4.345 5.748 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -4.155 -2.669 3.227 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -3.216 -2.226 4.640 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -4.208 -5.702 3.720 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -5.629 -5.755 4.790 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -5.657 -4.748 3.322 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.771 -3.125 2.874 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.749 -4.192 4.298 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.702 -4.641 2.863 1.00 0.77 H new ATOM 1358 N GLU A 83 -6.080 -4.301 7.578 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.831 -5.138 8.505 1.00 0.86 C ATOM 1360 C GLU A 83 -8.143 -4.484 8.926 1.00 0.85 C ATOM 1361 O GLU A 83 -9.074 -5.161 9.349 1.00 0.90 O ATOM 1362 CB GLU A 83 -6.002 -5.447 9.749 1.00 0.90 C ATOM 1363 CG GLU A 83 -4.974 -6.550 9.540 1.00 1.24 C ATOM 1364 CD GLU A 83 -4.611 -7.262 10.827 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -5.530 -7.692 11.555 1.00 2.36 O ATOM 1366 OE2 GLU A 83 -3.407 -7.402 11.122 1.00 2.18 O ATOM 0 H GLU A 83 -5.183 -3.978 7.941 1.00 0.80 H new ATOM 0 HA GLU A 83 -7.060 -6.065 7.979 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -5.489 -4.540 10.068 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -6.672 -5.735 10.559 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -5.365 -7.275 8.826 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -4.073 -6.123 9.099 1.00 1.24 H new ATOM 1373 N THR A 84 -8.206 -3.167 8.840 1.00 0.82 N ATOM 1374 CA THR A 84 -9.407 -2.454 9.223 1.00 0.84 C ATOM 1375 C THR A 84 -10.489 -2.623 8.158 1.00 0.89 C ATOM 1376 O THR A 84 -11.678 -2.682 8.467 1.00 0.92 O ATOM 1377 CB THR A 84 -9.105 -0.963 9.463 1.00 0.83 C ATOM 1378 OG1 THR A 84 -8.033 -0.839 10.411 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.328 -0.238 9.994 1.00 0.85 C ATOM 0 H THR A 84 -7.444 -2.575 8.510 1.00 0.82 H new ATOM 0 HA THR A 84 -9.775 -2.878 10.158 1.00 0.84 H new ATOM 0 HB THR A 84 -8.820 -0.513 8.512 1.00 0.83 H new ATOM 0 HG1 THR A 84 -7.206 -1.188 10.018 1.00 0.84 H new ATOM 0 HG21 THR A 84 -10.087 0.813 10.155 1.00 0.85 H new ATOM 0 HG22 THR A 84 -11.140 -0.318 9.272 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.636 -0.688 10.938 1.00 0.85 H new ATOM 1387 N LEU A 85 -10.060 -2.724 6.904 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.988 -2.908 5.796 1.00 1.01 C ATOM 1389 C LEU A 85 -11.332 -4.384 5.627 1.00 1.08 C ATOM 1390 O LEU A 85 -12.488 -4.744 5.398 1.00 1.17 O ATOM 1391 CB LEU A 85 -10.393 -2.353 4.498 1.00 1.04 C ATOM 1392 CG LEU A 85 -10.183 -0.836 4.470 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -9.420 -0.420 3.221 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -11.519 -0.111 4.540 1.00 1.13 C ATOM 0 H LEU A 85 -9.078 -2.682 6.631 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.903 -2.360 6.022 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -9.434 -2.839 4.320 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -11.048 -2.628 3.671 1.00 1.04 H new ATOM 0 HG LEU A 85 -9.591 -0.559 5.342 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -9.282 0.661 3.222 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -8.446 -0.910 3.209 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -9.984 -0.713 2.336 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -11.350 0.966 4.519 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -12.134 -0.399 3.687 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -12.031 -0.380 5.464 1.00 1.13 H new ATOM 1406 N SER A 86 -10.320 -5.229 5.729 1.00 1.18 N ATOM 1407 CA SER A 86 -10.499 -6.664 5.605 1.00 1.31 C ATOM 1408 C SER A 86 -9.632 -7.388 6.624 1.00 1.73 C ATOM 1409 O SER A 86 -8.482 -7.731 6.345 1.00 2.31 O ATOM 1410 CB SER A 86 -10.156 -7.122 4.189 1.00 1.71 C ATOM 1411 OG SER A 86 -10.993 -6.477 3.242 1.00 1.97 O ATOM 0 H SER A 86 -9.356 -4.941 5.899 1.00 1.18 H new ATOM 0 HA SER A 86 -11.544 -6.906 5.801 1.00 1.31 H new ATOM 0 HB2 SER A 86 -9.111 -6.899 3.971 1.00 1.71 H new ATOM 0 HB3 SER A 86 -10.274 -8.203 4.111 1.00 1.71 H new ATOM 0 HG SER A 86 -10.760 -6.780 2.340 1.00 1.97 H new ATOM 1914 N LYS B 10 15.424 14.983 1.760 1.00 1.52 N ATOM 1915 CA LYS B 10 14.870 14.377 2.967 1.00 1.44 C ATOM 1916 C LYS B 10 13.552 15.028 3.379 1.00 1.38 C ATOM 1917 O LYS B 10 12.579 14.334 3.678 1.00 1.32 O ATOM 1918 CB LYS B 10 15.880 14.473 4.114 1.00 1.48 C ATOM 1919 CG LYS B 10 15.993 13.202 4.938 1.00 1.54 C ATOM 1920 CD LYS B 10 16.106 11.975 4.052 1.00 1.71 C ATOM 1921 CE LYS B 10 16.750 10.813 4.789 1.00 2.08 C ATOM 1922 NZ LYS B 10 16.509 9.524 4.094 1.00 2.41 N ATOM 0 HA LYS B 10 14.666 13.330 2.745 1.00 1.44 H new ATOM 0 HB2 LYS B 10 16.860 14.717 3.704 1.00 1.48 H new ATOM 0 HB3 LYS B 10 15.595 15.296 4.769 1.00 1.48 H new ATOM 0 HG2 LYS B 10 16.866 13.265 5.588 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.120 13.107 5.584 1.00 1.54 H new ATOM 0 HD2 LYS B 10 15.115 11.683 3.705 1.00 1.71 H new ATOM 0 HD3 LYS B 10 16.695 12.217 3.167 1.00 1.71 H new ATOM 0 HE2 LYS B 10 17.823 10.986 4.875 1.00 2.08 H new ATOM 0 HE3 LYS B 10 16.354 10.760 5.803 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 17.072 8.775 4.546 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 15.499 9.281 4.153 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 16.786 9.611 3.095 1.00 2.41 H new ATOM 1936 N GLU B 11 13.523 16.353 3.391 1.00 1.42 N ATOM 1937 CA GLU B 11 12.320 17.083 3.777 1.00 1.39 C ATOM 1938 C GLU B 11 11.171 16.780 2.821 1.00 1.36 C ATOM 1939 O GLU B 11 10.027 16.605 3.245 1.00 1.30 O ATOM 1940 CB GLU B 11 12.589 18.590 3.802 1.00 1.47 C ATOM 1941 CG GLU B 11 11.486 19.394 4.473 1.00 1.48 C ATOM 1942 CD GLU B 11 11.266 20.739 3.815 1.00 1.62 C ATOM 1943 OE1 GLU B 11 12.204 21.562 3.800 1.00 1.72 O ATOM 1944 OE2 GLU B 11 10.154 20.986 3.307 1.00 1.90 O ATOM 0 H GLU B 11 14.315 16.944 3.139 1.00 1.42 H new ATOM 0 HA GLU B 11 12.038 16.757 4.778 1.00 1.39 H new ATOM 0 HB2 GLU B 11 13.529 18.774 4.322 1.00 1.47 H new ATOM 0 HB3 GLU B 11 12.715 18.945 2.779 1.00 1.47 H new ATOM 0 HG2 GLU B 11 10.557 18.824 4.446 1.00 1.48 H new ATOM 0 HG3 GLU B 11 11.737 19.544 5.523 1.00 1.48 H new ATOM 1951 N LEU B 12 11.493 16.695 1.534 1.00 1.43 N ATOM 1952 CA LEU B 12 10.496 16.428 0.506 1.00 1.45 C ATOM 1953 C LEU B 12 9.792 15.092 0.730 1.00 1.36 C ATOM 1954 O LEU B 12 8.574 15.052 0.906 1.00 1.32 O ATOM 1955 CB LEU B 12 11.138 16.456 -0.888 1.00 1.57 C ATOM 1956 CG LEU B 12 10.167 16.251 -2.054 1.00 1.73 C ATOM 1957 CD1 LEU B 12 9.133 17.368 -2.096 1.00 1.89 C ATOM 1958 CD2 LEU B 12 10.929 16.166 -3.371 1.00 1.89 C ATOM 0 H LEU B 12 12.442 16.808 1.178 1.00 1.43 H new ATOM 0 HA LEU B 12 9.746 17.216 0.571 1.00 1.45 H new ATOM 0 HB2 LEU B 12 11.643 17.413 -1.020 1.00 1.57 H new ATOM 0 HB3 LEU B 12 11.905 15.683 -0.934 1.00 1.57 H new ATOM 0 HG LEU B 12 9.639 15.309 -1.903 1.00 1.73 H new ATOM 0 HD11 LEU B 12 8.453 17.203 -2.932 1.00 1.89 H new ATOM 0 HD12 LEU B 12 8.568 17.376 -1.164 1.00 1.89 H new ATOM 0 HD13 LEU B 12 9.637 18.326 -2.222 1.00 1.89 H new ATOM 0 HD21 LEU B 12 10.225 16.020 -4.190 1.00 1.89 H new ATOM 0 HD22 LEU B 12 11.485 17.090 -3.530 1.00 1.89 H new ATOM 0 HD23 LEU B 12 11.624 15.327 -3.336 1.00 1.89 H new ATOM 1970 N LEU B 13 10.560 14.008 0.750 1.00 1.35 N ATOM 1971 CA LEU B 13 9.988 12.675 0.922 1.00 1.30 C ATOM 1972 C LEU B 13 9.319 12.509 2.285 1.00 1.18 C ATOM 1973 O LEU B 13 8.316 11.805 2.402 1.00 1.15 O ATOM 1974 CB LEU B 13 11.050 11.583 0.699 1.00 1.35 C ATOM 1975 CG LEU B 13 12.316 11.677 1.559 1.00 1.32 C ATOM 1976 CD1 LEU B 13 12.134 10.943 2.879 1.00 1.48 C ATOM 1977 CD2 LEU B 13 13.514 11.118 0.804 1.00 1.50 C ATOM 0 H LEU B 13 11.575 14.024 0.650 1.00 1.35 H new ATOM 0 HA LEU B 13 9.213 12.561 0.164 1.00 1.30 H new ATOM 0 HB2 LEU B 13 10.586 10.613 0.879 1.00 1.35 H new ATOM 0 HB3 LEU B 13 11.347 11.604 -0.350 1.00 1.35 H new ATOM 0 HG LEU B 13 12.499 12.729 1.777 1.00 1.32 H new ATOM 0 HD11 LEU B 13 13.046 11.025 3.470 1.00 1.48 H new ATOM 0 HD12 LEU B 13 11.304 11.385 3.430 1.00 1.48 H new ATOM 0 HD13 LEU B 13 11.921 9.892 2.684 1.00 1.48 H new ATOM 0 HD21 LEU B 13 14.404 11.192 1.428 1.00 1.50 H new ATOM 0 HD22 LEU B 13 13.332 10.073 0.555 1.00 1.50 H new ATOM 0 HD23 LEU B 13 13.665 11.688 -0.112 1.00 1.50 H new ATOM 1989 N LEU B 14 9.854 13.171 3.307 1.00 1.15 N ATOM 1990 CA LEU B 14 9.297 13.074 4.649 1.00 1.07 C ATOM 1991 C LEU B 14 7.869 13.610 4.679 1.00 1.07 C ATOM 1992 O LEU B 14 6.959 12.965 5.198 1.00 1.02 O ATOM 1993 CB LEU B 14 10.176 13.838 5.646 1.00 1.08 C ATOM 1994 CG LEU B 14 9.785 13.689 7.116 1.00 1.04 C ATOM 1995 CD1 LEU B 14 9.862 12.231 7.548 1.00 1.06 C ATOM 1996 CD2 LEU B 14 10.679 14.551 7.990 1.00 1.14 C ATOM 0 H LEU B 14 10.670 13.778 3.230 1.00 1.15 H new ATOM 0 HA LEU B 14 9.274 12.023 4.938 1.00 1.07 H new ATOM 0 HB2 LEU B 14 11.206 13.503 5.526 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.153 14.897 5.387 1.00 1.08 H new ATOM 0 HG LEU B 14 8.755 14.026 7.234 1.00 1.04 H new ATOM 0 HD11 LEU B 14 9.580 12.147 8.597 1.00 1.06 H new ATOM 0 HD12 LEU B 14 9.181 11.635 6.940 1.00 1.06 H new ATOM 0 HD13 LEU B 14 10.880 11.866 7.416 1.00 1.06 H new ATOM 0 HD21 LEU B 14 10.389 14.435 9.034 1.00 1.14 H new ATOM 0 HD22 LEU B 14 11.717 14.242 7.865 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.574 15.596 7.699 1.00 1.14 H new ATOM 2008 N LYS B 15 7.676 14.774 4.077 1.00 1.15 N ATOM 2009 CA LYS B 15 6.368 15.407 4.037 1.00 1.18 C ATOM 2010 C LYS B 15 5.443 14.683 3.065 1.00 1.13 C ATOM 2011 O LYS B 15 4.226 14.685 3.238 1.00 1.11 O ATOM 2012 CB LYS B 15 6.511 16.878 3.662 1.00 1.32 C ATOM 2013 CG LYS B 15 7.148 17.707 4.764 1.00 1.46 C ATOM 2014 CD LYS B 15 7.835 18.944 4.214 1.00 1.55 C ATOM 2015 CE LYS B 15 6.837 19.986 3.744 1.00 1.76 C ATOM 2016 NZ LYS B 15 7.485 21.007 2.881 1.00 1.80 N ATOM 0 H LYS B 15 8.413 15.301 3.608 1.00 1.15 H new ATOM 0 HA LYS B 15 5.920 15.344 5.029 1.00 1.18 H new ATOM 0 HB2 LYS B 15 7.113 16.961 2.757 1.00 1.32 H new ATOM 0 HB3 LYS B 15 5.528 17.286 3.429 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.384 18.005 5.482 1.00 1.46 H new ATOM 0 HG3 LYS B 15 7.873 17.098 5.304 1.00 1.46 H new ATOM 0 HD2 LYS B 15 8.475 19.376 4.984 1.00 1.55 H new ATOM 0 HD3 LYS B 15 8.482 18.661 3.384 1.00 1.55 H new ATOM 0 HE2 LYS B 15 6.033 19.499 3.193 1.00 1.76 H new ATOM 0 HE3 LYS B 15 6.383 20.472 4.607 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 7.332 21.952 3.287 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 8.506 20.816 2.823 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 7.071 20.969 1.928 1.00 1.80 H new ATOM 2030 N LYS B 16 6.028 14.060 2.051 1.00 1.14 N ATOM 2031 CA LYS B 16 5.256 13.312 1.067 1.00 1.14 C ATOM 2032 C LYS B 16 4.636 12.079 1.711 1.00 1.03 C ATOM 2033 O LYS B 16 3.496 11.726 1.424 1.00 1.01 O ATOM 2034 CB LYS B 16 6.137 12.890 -0.112 1.00 1.22 C ATOM 2035 CG LYS B 16 6.461 14.018 -1.087 1.00 1.31 C ATOM 2036 CD LYS B 16 5.306 14.303 -2.039 1.00 1.30 C ATOM 2037 CE LYS B 16 5.072 13.149 -3.006 1.00 1.45 C ATOM 2038 NZ LYS B 16 4.133 13.521 -4.094 1.00 1.65 N ATOM 0 H LYS B 16 7.035 14.058 1.888 1.00 1.14 H new ATOM 0 HA LYS B 16 4.464 13.961 0.695 1.00 1.14 H new ATOM 0 HB2 LYS B 16 7.070 12.480 0.275 1.00 1.22 H new ATOM 0 HB3 LYS B 16 5.638 12.088 -0.655 1.00 1.22 H new ATOM 0 HG2 LYS B 16 6.701 14.922 -0.528 1.00 1.31 H new ATOM 0 HG3 LYS B 16 7.348 13.755 -1.663 1.00 1.31 H new ATOM 0 HD2 LYS B 16 4.398 14.486 -1.464 1.00 1.30 H new ATOM 0 HD3 LYS B 16 5.515 15.212 -2.602 1.00 1.30 H new ATOM 0 HE2 LYS B 16 6.023 12.838 -3.438 1.00 1.45 H new ATOM 0 HE3 LYS B 16 4.675 12.293 -2.461 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 4.000 12.709 -4.730 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 3.217 13.793 -3.684 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 4.523 14.322 -4.631 1.00 1.65 H new ATOM 2052 N ILE B 17 5.395 11.434 2.590 1.00 0.98 N ATOM 2053 CA ILE B 17 4.920 10.247 3.287 1.00 0.92 C ATOM 2054 C ILE B 17 3.950 10.637 4.401 1.00 0.89 C ATOM 2055 O ILE B 17 3.007 9.904 4.710 1.00 0.86 O ATOM 2056 CB ILE B 17 6.098 9.423 3.859 1.00 0.94 C ATOM 2057 CG1 ILE B 17 6.996 8.941 2.718 1.00 1.00 C ATOM 2058 CG2 ILE B 17 5.591 8.236 4.670 1.00 1.00 C ATOM 2059 CD1 ILE B 17 8.334 8.401 3.180 1.00 0.96 C ATOM 0 H ILE B 17 6.344 11.715 2.836 1.00 0.98 H new ATOM 0 HA ILE B 17 4.394 9.622 2.566 1.00 0.92 H new ATOM 0 HB ILE B 17 6.677 10.063 4.525 1.00 0.94 H new ATOM 0 HG12 ILE B 17 6.474 8.163 2.161 1.00 1.00 H new ATOM 0 HG13 ILE B 17 7.167 9.768 2.028 1.00 1.00 H new ATOM 0 HG21 ILE B 17 6.439 7.673 5.061 1.00 1.00 H new ATOM 0 HG22 ILE B 17 4.981 8.596 5.499 1.00 1.00 H new ATOM 0 HG23 ILE B 17 4.990 7.589 4.031 1.00 1.00 H new ATOM 0 HD11 ILE B 17 8.915 8.079 2.315 1.00 0.96 H new ATOM 0 HD12 ILE B 17 8.878 9.182 3.712 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.174 7.553 3.846 1.00 0.96 H new ATOM 2071 N ASP B 18 4.175 11.808 4.985 1.00 0.94 N ATOM 2072 CA ASP B 18 3.316 12.317 6.052 1.00 0.99 C ATOM 2073 C ASP B 18 1.893 12.524 5.530 1.00 0.96 C ATOM 2074 O ASP B 18 0.914 12.162 6.180 1.00 0.94 O ATOM 2075 CB ASP B 18 3.877 13.635 6.591 1.00 1.14 C ATOM 2076 CG ASP B 18 3.286 14.022 7.930 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.758 13.504 8.965 1.00 1.59 O ATOM 2078 OD2 ASP B 18 2.363 14.862 7.961 1.00 1.88 O ATOM 0 H ASP B 18 4.948 12.426 4.738 1.00 0.94 H new ATOM 0 HA ASP B 18 3.289 11.588 6.861 1.00 0.99 H new ATOM 0 HB2 ASP B 18 4.959 13.551 6.688 1.00 1.14 H new ATOM 0 HB3 ASP B 18 3.682 14.429 5.870 1.00 1.14 H new ATOM 2083 N SER B 19 1.799 13.113 4.347 1.00 0.98 N ATOM 2084 CA SER B 19 0.516 13.359 3.701 1.00 0.99 C ATOM 2085 C SER B 19 -0.071 12.061 3.156 1.00 0.91 C ATOM 2086 O SER B 19 -1.291 11.910 3.063 1.00 0.90 O ATOM 2087 CB SER B 19 0.683 14.370 2.571 1.00 1.10 C ATOM 2088 OG SER B 19 1.218 15.589 3.056 1.00 1.21 O ATOM 0 H SER B 19 2.605 13.433 3.809 1.00 0.98 H new ATOM 0 HA SER B 19 -0.171 13.764 4.444 1.00 0.99 H new ATOM 0 HB2 SER B 19 1.341 13.959 1.805 1.00 1.10 H new ATOM 0 HB3 SER B 19 -0.281 14.555 2.098 1.00 1.10 H new ATOM 0 HG SER B 19 2.185 15.495 3.181 1.00 1.21 H new ATOM 2094 N LEU B 20 0.812 11.141 2.789 1.00 0.87 N ATOM 2095 CA LEU B 20 0.431 9.844 2.245 1.00 0.84 C ATOM 2096 C LEU B 20 -0.544 9.122 3.179 1.00 0.80 C ATOM 2097 O LEU B 20 -1.628 8.712 2.767 1.00 0.79 O ATOM 2098 CB LEU B 20 1.701 9.008 2.023 1.00 0.86 C ATOM 2099 CG LEU B 20 1.545 7.685 1.270 1.00 0.91 C ATOM 2100 CD1 LEU B 20 2.800 7.413 0.468 1.00 1.07 C ATOM 2101 CD2 LEU B 20 1.278 6.545 2.240 1.00 1.35 C ATOM 0 H LEU B 20 1.821 11.275 2.861 1.00 0.87 H new ATOM 0 HA LEU B 20 -0.081 9.986 1.293 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.419 9.623 1.481 1.00 0.86 H new ATOM 0 HB3 LEU B 20 2.138 8.792 2.998 1.00 0.86 H new ATOM 0 HG LEU B 20 0.694 7.758 0.593 1.00 0.91 H new ATOM 0 HD11 LEU B 20 2.691 6.471 -0.069 1.00 1.07 H new ATOM 0 HD12 LEU B 20 2.958 8.222 -0.246 1.00 1.07 H new ATOM 0 HD13 LEU B 20 3.655 7.350 1.141 1.00 1.07 H new ATOM 0 HD21 LEU B 20 1.170 5.613 1.685 1.00 1.35 H new ATOM 0 HD22 LEU B 20 2.111 6.458 2.937 1.00 1.35 H new ATOM 0 HD23 LEU B 20 0.361 6.746 2.794 1.00 1.35 H new ATOM 2113 N ILE B 21 -0.170 9.006 4.447 1.00 0.81 N ATOM 2114 CA ILE B 21 -1.016 8.335 5.434 1.00 0.82 C ATOM 2115 C ILE B 21 -2.264 9.158 5.742 1.00 0.81 C ATOM 2116 O ILE B 21 -3.323 8.606 6.046 1.00 0.81 O ATOM 2117 CB ILE B 21 -0.251 8.025 6.743 1.00 0.88 C ATOM 2118 CG1 ILE B 21 0.602 9.223 7.184 1.00 1.19 C ATOM 2119 CG2 ILE B 21 0.616 6.786 6.552 1.00 1.21 C ATOM 2120 CD1 ILE B 21 1.441 8.966 8.420 1.00 1.38 C ATOM 0 H ILE B 21 0.710 9.365 4.818 1.00 0.81 H new ATOM 0 HA ILE B 21 -1.319 7.387 4.990 1.00 0.82 H new ATOM 0 HB ILE B 21 -0.978 7.832 7.532 1.00 0.88 H new ATOM 0 HG12 ILE B 21 1.261 9.507 6.364 1.00 1.19 H new ATOM 0 HG13 ILE B 21 -0.055 10.072 7.374 1.00 1.19 H new ATOM 0 HG21 ILE B 21 1.153 6.572 7.476 1.00 1.21 H new ATOM 0 HG22 ILE B 21 -0.016 5.936 6.294 1.00 1.21 H new ATOM 0 HG23 ILE B 21 1.332 6.963 5.749 1.00 1.21 H new ATOM 0 HD11 ILE B 21 2.013 9.861 8.664 1.00 1.38 H new ATOM 0 HD12 ILE B 21 0.789 8.713 9.256 1.00 1.38 H new ATOM 0 HD13 ILE B 21 2.125 8.139 8.230 1.00 1.38 H new ATOM 2132 N GLU B 22 -2.143 10.478 5.652 1.00 0.83 N ATOM 2133 CA GLU B 22 -3.278 11.361 5.894 1.00 0.86 C ATOM 2134 C GLU B 22 -4.339 11.143 4.826 1.00 0.83 C ATOM 2135 O GLU B 22 -5.534 11.103 5.118 1.00 0.84 O ATOM 2136 CB GLU B 22 -2.835 12.826 5.889 1.00 0.94 C ATOM 2137 CG GLU B 22 -2.334 13.322 7.233 1.00 1.11 C ATOM 2138 CD GLU B 22 -2.406 14.829 7.354 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -3.528 15.373 7.342 1.00 1.95 O ATOM 2140 OE2 GLU B 22 -1.345 15.479 7.465 1.00 1.98 O ATOM 0 H GLU B 22 -1.275 10.958 5.414 1.00 0.83 H new ATOM 0 HA GLU B 22 -3.694 11.127 6.874 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -2.046 12.954 5.148 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -3.673 13.448 5.573 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -2.925 12.868 8.028 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -1.303 12.997 7.376 1.00 1.11 H new ATOM 2147 N ALA B 23 -3.888 10.988 3.588 1.00 0.82 N ATOM 2148 CA ALA B 23 -4.784 10.767 2.464 1.00 0.83 C ATOM 2149 C ALA B 23 -5.571 9.475 2.634 1.00 0.79 C ATOM 2150 O ALA B 23 -6.782 9.442 2.424 1.00 0.80 O ATOM 2151 CB ALA B 23 -4.001 10.736 1.163 1.00 0.86 C ATOM 0 H ALA B 23 -2.900 11.012 3.337 1.00 0.82 H new ATOM 0 HA ALA B 23 -5.493 11.594 2.432 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -4.685 10.570 0.331 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -3.486 11.687 1.025 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -3.269 9.929 1.198 1.00 0.86 H new ATOM 2157 N ILE B 24 -4.871 8.419 3.026 1.00 0.78 N ATOM 2158 CA ILE B 24 -5.492 7.117 3.228 1.00 0.78 C ATOM 2159 C ILE B 24 -6.496 7.170 4.377 1.00 0.74 C ATOM 2160 O ILE B 24 -7.570 6.561 4.311 1.00 0.74 O ATOM 2161 CB ILE B 24 -4.436 6.023 3.502 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -3.375 6.055 2.400 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -5.093 4.650 3.583 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -2.253 5.054 2.583 1.00 0.89 C ATOM 0 H ILE B 24 -3.868 8.439 3.211 1.00 0.78 H new ATOM 0 HA ILE B 24 -6.018 6.861 2.308 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.957 6.218 4.462 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.859 5.869 1.441 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -2.948 7.057 2.353 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -4.332 3.894 3.776 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -5.825 4.644 4.391 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.592 4.429 2.640 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.546 5.145 1.758 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -1.740 5.251 3.524 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -2.665 4.045 2.598 1.00 0.89 H new ATOM 2176 N LYS B 25 -6.150 7.917 5.421 1.00 0.74 N ATOM 2177 CA LYS B 25 -7.024 8.074 6.575 1.00 0.75 C ATOM 2178 C LYS B 25 -8.310 8.781 6.152 1.00 0.78 C ATOM 2179 O LYS B 25 -9.395 8.485 6.654 1.00 0.80 O ATOM 2180 CB LYS B 25 -6.312 8.865 7.683 1.00 0.79 C ATOM 2181 CG LYS B 25 -7.202 9.209 8.872 1.00 0.88 C ATOM 2182 CD LYS B 25 -7.743 7.963 9.561 1.00 1.17 C ATOM 2183 CE LYS B 25 -8.934 8.288 10.449 1.00 1.48 C ATOM 2184 NZ LYS B 25 -8.542 9.041 11.667 1.00 1.72 N ATOM 0 H LYS B 25 -5.268 8.424 5.490 1.00 0.74 H new ATOM 0 HA LYS B 25 -7.275 7.089 6.969 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -5.459 8.286 8.037 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.917 9.788 7.259 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -6.635 9.802 9.589 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -8.034 9.827 8.535 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -8.037 7.230 8.810 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -6.955 7.507 10.160 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -9.658 8.872 9.881 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -9.430 7.362 10.741 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -9.387 9.239 12.240 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -7.871 8.475 12.224 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -8.093 9.938 11.391 1.00 1.72 H new ATOM 2198 N LYS B 26 -8.177 9.711 5.216 1.00 0.80 N ATOM 2199 CA LYS B 26 -9.320 10.448 4.700 1.00 0.85 C ATOM 2200 C LYS B 26 -10.226 9.509 3.908 1.00 0.83 C ATOM 2201 O LYS B 26 -11.449 9.562 4.031 1.00 0.86 O ATOM 2202 CB LYS B 26 -8.853 11.598 3.801 1.00 0.91 C ATOM 2203 CG LYS B 26 -9.059 12.988 4.389 1.00 1.01 C ATOM 2204 CD LYS B 26 -10.425 13.559 4.036 1.00 1.13 C ATOM 2205 CE LYS B 26 -11.479 13.188 5.066 1.00 1.38 C ATOM 2206 NZ LYS B 26 -12.804 13.776 4.741 1.00 1.39 N ATOM 0 H LYS B 26 -7.284 9.973 4.798 1.00 0.80 H new ATOM 0 HA LYS B 26 -9.876 10.864 5.540 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -7.794 11.464 3.583 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -9.384 11.538 2.851 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -8.954 12.942 5.473 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -8.280 13.656 4.021 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -10.356 14.644 3.962 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.730 13.191 3.056 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -11.567 12.103 5.120 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -11.161 13.532 6.050 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -13.107 14.398 5.517 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -12.733 14.328 3.862 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -13.501 13.014 4.616 1.00 1.39 H new ATOM 2220 N ILE B 27 -9.608 8.638 3.109 1.00 0.80 N ATOM 2221 CA ILE B 27 -10.335 7.681 2.276 1.00 0.81 C ATOM 2222 C ILE B 27 -11.251 6.778 3.110 1.00 0.80 C ATOM 2223 O ILE B 27 -12.448 6.672 2.832 1.00 0.82 O ATOM 2224 CB ILE B 27 -9.364 6.798 1.459 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -8.519 7.651 0.508 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -10.128 5.736 0.679 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -9.313 8.299 -0.611 1.00 1.04 C ATOM 0 H ILE B 27 -8.594 8.577 3.022 1.00 0.80 H new ATOM 0 HA ILE B 27 -10.949 8.270 1.595 1.00 0.81 H new ATOM 0 HB ILE B 27 -8.694 6.299 2.159 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -8.019 8.430 1.083 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.739 7.026 0.072 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -9.426 5.126 0.111 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -10.681 5.102 1.373 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -10.825 6.219 -0.006 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -8.643 8.885 -1.240 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -9.792 7.526 -1.212 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -10.075 8.952 -0.186 1.00 1.04 H new ATOM 2239 N ILE B 28 -10.691 6.130 4.132 1.00 0.78 N ATOM 2240 CA ILE B 28 -11.474 5.233 4.983 1.00 0.78 C ATOM 2241 C ILE B 28 -12.587 5.993 5.712 1.00 0.81 C ATOM 2242 O ILE B 28 -13.679 5.462 5.925 1.00 0.84 O ATOM 2243 CB ILE B 28 -10.585 4.471 5.999 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -11.402 3.378 6.697 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -9.972 5.421 7.021 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.565 2.434 7.530 1.00 0.97 C ATOM 0 H ILE B 28 -9.707 6.208 4.389 1.00 0.78 H new ATOM 0 HA ILE B 28 -11.931 4.494 4.325 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.766 4.004 5.452 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -12.150 3.848 7.336 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.942 2.803 5.944 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -9.355 4.856 7.719 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -9.356 6.160 6.508 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.766 5.928 7.568 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.210 1.688 7.993 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -9.835 1.936 6.892 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -10.046 2.996 8.306 1.00 0.97 H new ATOM 2258 N ALA B 29 -12.308 7.238 6.080 1.00 0.82 N ATOM 2259 CA ALA B 29 -13.284 8.068 6.770 1.00 0.87 C ATOM 2260 C ALA B 29 -14.481 8.355 5.868 1.00 0.90 C ATOM 2261 O ALA B 29 -15.627 8.248 6.296 1.00 0.93 O ATOM 2262 CB ALA B 29 -12.642 9.367 7.232 1.00 0.90 C ATOM 0 H ALA B 29 -11.412 7.694 5.911 1.00 0.82 H new ATOM 0 HA ALA B 29 -13.639 7.525 7.646 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -13.385 9.977 7.746 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -11.820 9.145 7.913 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -12.260 9.912 6.368 1.00 0.90 H new ATOM 2268 N GLU B 30 -14.204 8.694 4.610 1.00 0.91 N ATOM 2269 CA GLU B 30 -15.260 8.996 3.649 1.00 0.95 C ATOM 2270 C GLU B 30 -16.200 7.806 3.484 1.00 0.95 C ATOM 2271 O GLU B 30 -17.420 7.954 3.551 1.00 0.96 O ATOM 2272 CB GLU B 30 -14.666 9.359 2.286 1.00 1.00 C ATOM 2273 CG GLU B 30 -13.733 10.553 2.315 1.00 1.02 C ATOM 2274 CD GLU B 30 -14.440 11.847 2.652 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -14.630 12.133 3.850 1.00 1.18 O ATOM 2276 OE2 GLU B 30 -14.775 12.608 1.724 1.00 1.38 O ATOM 0 H GLU B 30 -13.258 8.766 4.234 1.00 0.91 H new ATOM 0 HA GLU B 30 -15.822 9.847 4.035 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -14.124 8.497 1.897 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -15.480 9.564 1.590 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -12.946 10.374 3.047 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -13.249 10.652 1.344 1.00 1.02 H new ATOM 2283 N PHE B 31 -15.616 6.624 3.305 1.00 0.96 N ATOM 2284 CA PHE B 31 -16.387 5.398 3.114 1.00 0.99 C ATOM 2285 C PHE B 31 -17.381 5.168 4.248 1.00 0.97 C ATOM 2286 O PHE B 31 -18.521 4.767 4.010 1.00 1.01 O ATOM 2287 CB PHE B 31 -15.454 4.192 2.979 1.00 1.01 C ATOM 2288 CG PHE B 31 -14.892 4.021 1.600 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -15.738 3.936 0.508 1.00 1.68 C ATOM 2290 CD2 PHE B 31 -13.525 3.925 1.395 1.00 1.50 C ATOM 2291 CE1 PHE B 31 -15.233 3.761 -0.764 1.00 1.83 C ATOM 2292 CE2 PHE B 31 -13.013 3.753 0.125 1.00 1.59 C ATOM 2293 CZ PHE B 31 -13.869 3.668 -0.957 1.00 1.37 C ATOM 0 H PHE B 31 -14.605 6.489 3.288 1.00 0.96 H new ATOM 0 HA PHE B 31 -16.957 5.515 2.192 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -14.632 4.298 3.687 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -15.998 3.289 3.255 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -16.806 4.007 0.653 1.00 1.68 H new ATOM 0 HD2 PHE B 31 -12.853 3.985 2.238 1.00 1.50 H new ATOM 0 HE1 PHE B 31 -15.904 3.697 -1.608 1.00 1.83 H new ATOM 0 HE2 PHE B 31 -11.945 3.685 -0.023 1.00 1.59 H new ATOM 0 HZ PHE B 31 -13.472 3.529 -1.952 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.953 5.444 5.474 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.812 5.262 6.638 1.00 0.93 C ATOM 2305 C ASP B 32 -18.956 6.273 6.638 1.00 0.93 C ATOM 2306 O ASP B 32 -20.095 5.943 6.977 1.00 0.96 O ATOM 2307 CB ASP B 32 -17.001 5.391 7.925 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.799 4.973 9.142 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -18.034 3.759 9.315 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -18.198 5.853 9.928 1.00 1.54 O ATOM 0 H ASP B 32 -16.019 5.794 5.688 1.00 0.94 H new ATOM 0 HA ASP B 32 -18.238 4.260 6.587 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -16.104 4.777 7.851 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -16.672 6.423 8.044 1.00 0.94 H new ATOM 2315 N VAL B 33 -18.650 7.507 6.256 1.00 0.92 N ATOM 2316 CA VAL B 33 -19.656 8.560 6.205 1.00 0.93 C ATOM 2317 C VAL B 33 -20.673 8.280 5.104 1.00 0.94 C ATOM 2318 O VAL B 33 -21.877 8.326 5.343 1.00 0.95 O ATOM 2319 CB VAL B 33 -19.018 9.947 5.981 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -20.083 11.033 5.927 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -18.005 10.251 7.075 1.00 0.92 C ATOM 0 H VAL B 33 -17.714 7.803 5.977 1.00 0.92 H new ATOM 0 HA VAL B 33 -20.163 8.569 7.170 1.00 0.93 H new ATOM 0 HB VAL B 33 -18.500 9.930 5.022 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -19.608 12.001 5.768 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -20.771 10.828 5.107 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -20.634 11.049 6.867 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -17.565 11.233 6.901 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -18.503 10.243 8.044 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -17.220 9.495 7.064 1.00 0.92 H new ATOM 2331 N VAL B 34 -20.179 7.961 3.908 1.00 0.96 N ATOM 2332 CA VAL B 34 -21.049 7.670 2.767 1.00 0.99 C ATOM 2333 C VAL B 34 -21.972 6.494 3.075 1.00 1.00 C ATOM 2334 O VAL B 34 -23.128 6.485 2.662 1.00 1.02 O ATOM 2335 CB VAL B 34 -20.234 7.371 1.484 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -21.157 7.091 0.305 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -19.303 8.531 1.157 1.00 1.13 C ATOM 0 H VAL B 34 -19.182 7.897 3.703 1.00 0.96 H new ATOM 0 HA VAL B 34 -21.650 8.562 2.589 1.00 0.99 H new ATOM 0 HB VAL B 34 -19.633 6.481 1.669 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -20.560 6.884 -0.583 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.783 6.228 0.530 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -21.789 7.960 0.123 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -18.739 8.301 0.253 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -19.890 9.435 0.999 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -18.612 8.687 1.985 1.00 1.13 H new ATOM 2347 N LYS B 35 -21.458 5.515 3.810 1.00 1.01 N ATOM 2348 CA LYS B 35 -22.233 4.339 4.190 1.00 1.05 C ATOM 2349 C LYS B 35 -23.472 4.741 4.989 1.00 1.03 C ATOM 2350 O LYS B 35 -24.574 4.255 4.740 1.00 1.05 O ATOM 2351 CB LYS B 35 -21.363 3.385 5.016 1.00 1.08 C ATOM 2352 CG LYS B 35 -22.048 2.073 5.371 1.00 1.13 C ATOM 2353 CD LYS B 35 -21.142 1.185 6.214 1.00 1.32 C ATOM 2354 CE LYS B 35 -21.869 -0.050 6.725 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.297 -0.946 5.621 1.00 1.86 N ATOM 0 H LYS B 35 -20.499 5.513 4.158 1.00 1.01 H new ATOM 0 HA LYS B 35 -22.560 3.833 3.282 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -20.451 3.168 4.460 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -21.064 3.887 5.936 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -22.969 2.277 5.916 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -22.328 1.548 4.458 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -20.281 0.879 5.621 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -20.760 1.756 7.060 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -21.216 -0.599 7.404 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -22.742 0.257 7.301 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -22.742 -1.798 6.018 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -22.980 -0.448 5.015 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -21.468 -1.220 5.056 1.00 1.86 H new ATOM 2369 N GLU B 36 -23.281 5.627 5.954 1.00 1.00 N ATOM 2370 CA GLU B 36 -24.379 6.095 6.787 1.00 1.00 C ATOM 2371 C GLU B 36 -25.289 7.052 6.014 1.00 0.96 C ATOM 2372 O GLU B 36 -26.513 7.018 6.154 1.00 0.97 O ATOM 2373 CB GLU B 36 -23.829 6.776 8.041 1.00 1.01 C ATOM 2374 CG GLU B 36 -24.876 7.013 9.121 1.00 1.15 C ATOM 2375 CD GLU B 36 -25.336 5.729 9.781 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -26.156 5.000 9.187 1.00 1.40 O ATOM 2377 OE2 GLU B 36 -24.878 5.440 10.908 1.00 1.57 O ATOM 0 H GLU B 36 -22.375 6.037 6.180 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.977 5.233 7.083 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -23.027 6.164 8.454 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -23.388 7.732 7.760 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -24.465 7.680 9.879 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -25.736 7.520 8.683 1.00 1.15 H new ATOM 2384 N SER B 37 -24.696 7.889 5.183 1.00 0.00 N ATOM 2385 CA SER B 37 -25.429 8.873 4.393 1.00 0.00 C ATOM 2386 C SER B 37 -26.431 8.200 3.485 1.00 0.00 C ATOM 2387 O SER B 37 -27.568 8.669 3.359 1.00 0.00 O ATOM 2388 CB SER B 37 -24.455 9.777 3.595 1.00 0.00 C ATOM 2389 OG SER B 37 -23.646 10.604 4.438 1.00 0.00 O ATOM 0 H SER B 37 -23.687 7.909 5.033 1.00 0.00 H new ATOM 0 HA SER B 37 -25.986 9.513 5.078 1.00 0.00 H new ATOM 0 HB2 SER B 37 -23.808 9.152 2.980 1.00 0.00 H new ATOM 0 HB3 SER B 37 -25.027 10.409 2.916 1.00 0.00 H new ATOM 0 HG SER B 37 -22.958 10.056 4.870 1.00 0.00 H new ATOM 2395 N VAL B 38 -26.018 7.153 2.785 1.00 0.96 N ATOM 2396 CA VAL B 38 -26.902 6.464 1.852 1.00 1.00 C ATOM 2397 C VAL B 38 -28.011 5.733 2.596 1.00 1.02 C ATOM 2398 O VAL B 38 -29.106 5.566 2.075 1.00 1.04 O ATOM 2399 CB VAL B 38 -26.146 5.479 0.925 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -25.185 6.233 0.019 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -25.414 4.406 1.722 1.00 1.07 C ATOM 0 H VAL B 38 -25.078 6.761 2.844 1.00 0.96 H new ATOM 0 HA VAL B 38 -27.340 7.234 1.217 1.00 1.00 H new ATOM 0 HB VAL B 38 -26.885 4.973 0.303 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -24.662 5.526 -0.625 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.743 6.940 -0.595 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -24.460 6.774 0.627 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -24.896 3.734 1.038 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -24.689 4.877 2.386 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -26.133 3.838 2.313 1.00 1.07 H new ATOM 2411 N ASN B 39 -27.725 5.319 3.822 1.00 1.03 N ATOM 2412 CA ASN B 39 -28.704 4.623 4.649 1.00 1.07 C ATOM 2413 C ASN B 39 -29.868 5.559 4.979 1.00 1.05 C ATOM 2414 O ASN B 39 -31.041 5.238 4.758 1.00 1.08 O ATOM 2415 CB ASN B 39 -28.022 4.125 5.932 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.996 3.809 7.052 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -30.079 3.267 6.825 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -28.605 4.126 8.276 1.00 1.25 N ATOM 0 H ASN B 39 -26.818 5.453 4.269 1.00 1.03 H new ATOM 0 HA ASN B 39 -29.101 3.765 4.106 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -27.442 3.231 5.702 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -27.317 4.882 6.277 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -29.208 3.922 9.073 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.700 4.574 8.422 1.00 1.25 H new ATOM 2425 N GLU B 40 -29.525 6.736 5.475 1.00 1.02 N ATOM 2426 CA GLU B 40 -30.507 7.746 5.841 1.00 1.02 C ATOM 2427 C GLU B 40 -31.244 8.274 4.612 1.00 0.98 C ATOM 2428 O GLU B 40 -32.469 8.421 4.620 1.00 1.01 O ATOM 2429 CB GLU B 40 -29.795 8.896 6.547 1.00 1.04 C ATOM 2430 CG GLU B 40 -30.052 8.938 8.038 1.00 1.24 C ATOM 2431 CD GLU B 40 -31.375 9.586 8.368 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -31.449 10.833 8.352 1.00 2.04 O ATOM 2433 OE2 GLU B 40 -32.351 8.860 8.633 1.00 1.92 O ATOM 0 H GLU B 40 -28.558 7.019 5.636 1.00 1.02 H new ATOM 0 HA GLU B 40 -31.243 7.293 6.504 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -28.722 8.811 6.373 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -30.116 9.839 6.104 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -30.036 7.924 8.437 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -29.248 9.486 8.529 1.00 1.24 H new ATOM 2440 N LEU B 41 -30.482 8.545 3.556 1.00 0.95 N ATOM 2441 CA LEU B 41 -31.023 9.083 2.312 1.00 0.94 C ATOM 2442 C LEU B 41 -32.034 8.143 1.663 1.00 0.95 C ATOM 2443 O LEU B 41 -33.086 8.586 1.218 1.00 0.97 O ATOM 2444 CB LEU B 41 -29.890 9.378 1.325 1.00 0.92 C ATOM 2445 CG LEU B 41 -30.266 10.265 0.138 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -30.638 11.660 0.612 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -29.119 10.328 -0.861 1.00 1.01 C ATOM 0 H LEU B 41 -29.473 8.398 3.539 1.00 0.95 H new ATOM 0 HA LEU B 41 -31.545 10.006 2.565 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -29.073 9.854 1.868 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -29.509 8.431 0.942 1.00 0.92 H new ATOM 0 HG LEU B 41 -31.133 9.829 -0.359 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -30.903 12.277 -0.246 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -31.488 11.599 1.291 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -29.790 12.106 1.132 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -29.402 10.963 -1.700 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -28.235 10.741 -0.375 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -28.897 9.324 -1.224 1.00 1.01 H new ATOM 2459 N SER B 42 -31.722 6.851 1.620 1.00 0.97 N ATOM 2460 CA SER B 42 -32.614 5.872 1.006 1.00 1.01 C ATOM 2461 C SER B 42 -33.986 5.861 1.679 1.00 1.02 C ATOM 2462 O SER B 42 -35.011 5.844 1.004 1.00 1.03 O ATOM 2463 CB SER B 42 -31.996 4.474 1.063 1.00 1.07 C ATOM 2464 OG SER B 42 -30.755 4.437 0.375 1.00 1.56 O ATOM 0 H SER B 42 -30.861 6.458 2.002 1.00 0.97 H new ATOM 0 HA SER B 42 -32.750 6.163 -0.036 1.00 1.01 H new ATOM 0 HB2 SER B 42 -31.848 4.180 2.102 1.00 1.07 H new ATOM 0 HB3 SER B 42 -32.682 3.751 0.622 1.00 1.07 H new ATOM 0 HG SER B 42 -30.093 4.967 0.866 1.00 1.56 H new ATOM 2470 N GLU B 43 -34.001 5.896 3.009 1.00 1.04 N ATOM 2471 CA GLU B 43 -35.253 5.874 3.758 1.00 1.07 C ATOM 2472 C GLU B 43 -36.114 7.105 3.458 1.00 1.05 C ATOM 2473 O GLU B 43 -37.337 7.012 3.375 1.00 1.10 O ATOM 2474 CB GLU B 43 -34.983 5.787 5.261 1.00 1.12 C ATOM 2475 CG GLU B 43 -36.183 5.310 6.062 1.00 1.24 C ATOM 2476 CD GLU B 43 -36.442 6.173 7.274 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -36.576 7.402 7.111 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -36.503 5.634 8.394 1.00 1.92 O ATOM 0 H GLU B 43 -33.163 5.940 3.588 1.00 1.04 H new ATOM 0 HA GLU B 43 -35.803 4.988 3.440 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -34.147 5.109 5.434 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -34.679 6.768 5.626 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -37.066 5.309 5.423 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -36.019 4.280 6.380 1.00 1.24 H new ATOM 2485 N LYS B 44 -35.475 8.254 3.270 1.00 1.00 N ATOM 2486 CA LYS B 44 -36.206 9.493 2.998 1.00 1.00 C ATOM 2487 C LYS B 44 -36.708 9.552 1.555 1.00 0.98 C ATOM 2488 O LYS B 44 -37.823 9.996 1.292 1.00 1.03 O ATOM 2489 CB LYS B 44 -35.321 10.710 3.276 1.00 1.01 C ATOM 2490 CG LYS B 44 -34.623 10.672 4.626 1.00 1.06 C ATOM 2491 CD LYS B 44 -35.611 10.697 5.777 1.00 1.17 C ATOM 2492 CE LYS B 44 -34.931 10.369 7.095 1.00 1.32 C ATOM 2493 NZ LYS B 44 -34.461 8.959 7.141 1.00 1.35 N ATOM 0 H LYS B 44 -34.461 8.357 3.300 1.00 1.00 H new ATOM 0 HA LYS B 44 -37.070 9.507 3.662 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -34.568 10.786 2.491 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -35.932 11.611 3.220 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -34.011 9.772 4.693 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -33.948 11.524 4.709 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -36.075 11.681 5.840 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -36.410 9.980 5.589 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -34.084 11.039 7.243 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -35.626 10.547 7.916 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -33.900 8.808 8.004 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -35.281 8.320 7.145 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -33.872 8.762 6.307 1.00 1.35 H new ATOM 2507 N ALA B 45 -35.884 9.096 0.626 1.00 0.98 N ATOM 2508 CA ALA B 45 -36.232 9.114 -0.790 1.00 0.99 C ATOM 2509 C ALA B 45 -37.270 8.050 -1.128 1.00 1.01 C ATOM 2510 O ALA B 45 -37.967 8.151 -2.135 1.00 1.03 O ATOM 2511 CB ALA B 45 -34.983 8.923 -1.638 1.00 1.01 C ATOM 0 H ALA B 45 -34.963 8.706 0.826 1.00 0.98 H new ATOM 0 HA ALA B 45 -36.672 10.086 -1.013 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -35.254 8.938 -2.694 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -34.277 9.728 -1.433 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -34.521 7.966 -1.396 1.00 1.01 H new ATOM 2517 N LYS B 46 -37.389 7.050 -0.265 1.00 1.04 N ATOM 2518 CA LYS B 46 -38.332 5.955 -0.469 1.00 1.10 C ATOM 2519 C LYS B 46 -39.780 6.437 -0.373 1.00 1.12 C ATOM 2520 O LYS B 46 -40.699 5.745 -0.807 1.00 1.18 O ATOM 2521 CB LYS B 46 -38.086 4.854 0.569 1.00 1.18 C ATOM 2522 CG LYS B 46 -38.443 3.459 0.085 1.00 1.46 C ATOM 2523 CD LYS B 46 -37.478 2.985 -0.989 1.00 1.98 C ATOM 2524 CE LYS B 46 -38.166 2.099 -2.012 1.00 2.66 C ATOM 2525 NZ LYS B 46 -38.979 1.033 -1.374 1.00 3.40 N ATOM 0 H LYS B 46 -36.839 6.973 0.591 1.00 1.04 H new ATOM 0 HA LYS B 46 -38.172 5.559 -1.472 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -37.035 4.869 0.858 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.666 5.077 1.464 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -38.426 2.765 0.925 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -39.459 3.457 -0.309 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -37.040 3.848 -1.491 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -36.658 2.436 -0.525 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -38.806 2.711 -2.648 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -37.416 1.644 -2.659 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -39.205 0.301 -2.077 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -38.441 0.607 -0.592 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -39.861 1.443 -1.005 1.00 3.40 H new ATOM 2539 N THR B 47 -39.973 7.630 0.184 1.00 1.10 N ATOM 2540 CA THR B 47 -41.309 8.191 0.340 1.00 1.16 C ATOM 2541 C THR B 47 -41.819 8.787 -0.969 1.00 1.17 C ATOM 2542 O THR B 47 -42.990 9.159 -1.082 1.00 1.27 O ATOM 2543 CB THR B 47 -41.344 9.270 1.447 1.00 1.24 C ATOM 2544 OG1 THR B 47 -40.401 10.309 1.160 1.00 1.54 O ATOM 2545 CG2 THR B 47 -41.026 8.663 2.805 1.00 1.41 C ATOM 0 H THR B 47 -39.222 8.225 0.534 1.00 1.10 H new ATOM 0 HA THR B 47 -41.963 7.369 0.631 1.00 1.16 H new ATOM 0 HB THR B 47 -42.350 9.690 1.474 1.00 1.24 H new ATOM 0 HG1 THR B 47 -39.552 10.113 1.608 1.00 1.54 H new ATOM 0 HG21 THR B 47 -41.057 9.441 3.568 1.00 1.41 H new ATOM 0 HG22 THR B 47 -41.762 7.894 3.041 1.00 1.41 H new ATOM 0 HG23 THR B 47 -40.031 8.218 2.781 1.00 1.41 H new ATOM 2553 N ASP B 48 -40.937 8.870 -1.957 1.00 1.14 N ATOM 2554 CA ASP B 48 -41.295 9.417 -3.261 1.00 1.18 C ATOM 2555 C ASP B 48 -40.935 8.420 -4.362 1.00 1.14 C ATOM 2556 O ASP B 48 -39.777 8.030 -4.493 1.00 1.10 O ATOM 2557 CB ASP B 48 -40.570 10.746 -3.496 1.00 1.23 C ATOM 2558 CG ASP B 48 -41.028 11.462 -4.756 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -40.524 11.140 -5.850 1.00 1.43 O ATOM 2560 OD2 ASP B 48 -41.887 12.364 -4.652 1.00 1.39 O ATOM 0 H ASP B 48 -39.967 8.565 -1.881 1.00 1.14 H new ATOM 0 HA ASP B 48 -42.370 9.597 -3.284 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -40.731 11.397 -2.637 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -39.498 10.561 -3.560 1.00 1.23 H new ATOM 2565 N PRO B 49 -41.918 7.999 -5.177 1.00 1.20 N ATOM 2566 CA PRO B 49 -41.695 7.026 -6.258 1.00 1.22 C ATOM 2567 C PRO B 49 -40.633 7.467 -7.262 1.00 1.24 C ATOM 2568 O PRO B 49 -39.923 6.637 -7.831 1.00 1.24 O ATOM 2569 CB PRO B 49 -43.061 6.913 -6.946 1.00 1.33 C ATOM 2570 CG PRO B 49 -43.830 8.108 -6.494 1.00 1.36 C ATOM 2571 CD PRO B 49 -43.323 8.429 -5.116 1.00 1.29 C ATOM 0 HA PRO B 49 -41.322 6.083 -5.858 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -42.955 6.901 -8.031 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -43.568 5.990 -6.665 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -43.679 8.949 -7.171 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -44.900 7.900 -6.478 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -43.411 9.492 -4.890 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -43.877 7.892 -4.346 1.00 1.29 H new ATOM 2579 N GLN B 50 -40.527 8.771 -7.485 1.00 1.28 N ATOM 2580 CA GLN B 50 -39.546 9.305 -8.421 1.00 1.33 C ATOM 2581 C GLN B 50 -38.159 9.321 -7.787 1.00 1.22 C ATOM 2582 O GLN B 50 -37.166 8.960 -8.420 1.00 1.22 O ATOM 2583 CB GLN B 50 -39.937 10.718 -8.851 1.00 1.45 C ATOM 2584 CG GLN B 50 -41.328 10.812 -9.461 1.00 1.58 C ATOM 2585 CD GLN B 50 -42.010 12.128 -9.140 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -42.697 12.706 -9.984 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -41.851 12.596 -7.910 1.00 1.66 N ATOM 0 H GLN B 50 -41.107 9.477 -7.032 1.00 1.28 H new ATOM 0 HA GLN B 50 -39.524 8.661 -9.300 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -39.885 11.379 -7.986 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -39.208 11.082 -9.575 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -41.256 10.697 -10.543 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -41.940 9.989 -9.093 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -41.274 12.087 -7.241 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -42.306 13.466 -7.632 1.00 1.66 H new ATOM 2596 N ALA B 51 -38.098 9.752 -6.535 1.00 1.15 N ATOM 2597 CA ALA B 51 -36.839 9.809 -5.810 1.00 1.08 C ATOM 2598 C ALA B 51 -36.284 8.406 -5.592 1.00 1.00 C ATOM 2599 O ALA B 51 -35.090 8.165 -5.773 1.00 0.98 O ATOM 2600 CB ALA B 51 -37.018 10.537 -4.488 1.00 1.09 C ATOM 0 H ALA B 51 -38.907 10.067 -6.001 1.00 1.15 H new ATOM 0 HA ALA B 51 -36.119 10.368 -6.408 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -36.066 10.570 -3.959 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -37.364 11.553 -4.676 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -37.753 10.010 -3.879 1.00 1.09 H new ATOM 2606 N ALA B 52 -37.165 7.478 -5.218 1.00 0.99 N ATOM 2607 CA ALA B 52 -36.772 6.094 -4.996 1.00 0.98 C ATOM 2608 C ALA B 52 -36.280 5.477 -6.298 1.00 1.02 C ATOM 2609 O ALA B 52 -35.406 4.614 -6.301 1.00 1.03 O ATOM 2610 CB ALA B 52 -37.933 5.287 -4.435 1.00 1.03 C ATOM 0 H ALA B 52 -38.156 7.664 -5.063 1.00 0.99 H new ATOM 0 HA ALA B 52 -35.962 6.077 -4.267 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -37.617 4.256 -4.277 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -38.251 5.719 -3.486 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -38.764 5.307 -5.140 1.00 1.03 H new ATOM 2616 N GLU B 53 -36.857 5.937 -7.402 1.00 1.09 N ATOM 2617 CA GLU B 53 -36.482 5.468 -8.724 1.00 1.18 C ATOM 2618 C GLU B 53 -35.027 5.824 -9.008 1.00 1.17 C ATOM 2619 O GLU B 53 -34.253 4.994 -9.482 1.00 1.23 O ATOM 2620 CB GLU B 53 -37.399 6.101 -9.771 1.00 1.28 C ATOM 2621 CG GLU B 53 -37.105 5.673 -11.195 1.00 1.45 C ATOM 2622 CD GLU B 53 -37.417 4.216 -11.426 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -38.600 3.839 -11.339 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -36.475 3.440 -11.684 1.00 1.58 O ATOM 0 H GLU B 53 -37.594 6.642 -7.403 1.00 1.09 H new ATOM 0 HA GLU B 53 -36.590 4.384 -8.768 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -38.432 5.848 -9.533 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -37.313 7.186 -9.705 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -37.690 6.282 -11.884 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -36.054 5.858 -11.419 1.00 1.45 H new ATOM 2631 N LYS B 54 -34.661 7.059 -8.684 1.00 1.13 N ATOM 2632 CA LYS B 54 -33.304 7.538 -8.893 1.00 1.14 C ATOM 2633 C LYS B 54 -32.323 6.798 -7.997 1.00 1.05 C ATOM 2634 O LYS B 54 -31.247 6.409 -8.438 1.00 1.09 O ATOM 2635 CB LYS B 54 -33.213 9.035 -8.608 1.00 1.16 C ATOM 2636 CG LYS B 54 -33.419 9.912 -9.828 1.00 1.32 C ATOM 2637 CD LYS B 54 -33.102 11.366 -9.518 1.00 1.48 C ATOM 2638 CE LYS B 54 -33.046 12.212 -10.775 1.00 1.68 C ATOM 2639 NZ LYS B 54 -34.361 12.279 -11.459 1.00 2.09 N ATOM 0 H LYS B 54 -35.291 7.748 -8.273 1.00 1.13 H new ATOM 0 HA LYS B 54 -33.045 7.351 -9.935 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -33.958 9.297 -7.856 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -32.235 9.253 -8.178 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -32.783 9.564 -10.642 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -34.450 9.827 -10.171 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -33.859 11.767 -8.844 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -32.147 11.426 -8.997 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -32.719 13.220 -10.519 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -32.303 11.799 -11.457 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -34.279 12.867 -12.313 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -34.663 11.320 -11.726 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -35.065 12.697 -10.818 1.00 2.09 H new ATOM 2653 N LEU B 55 -32.708 6.594 -6.744 1.00 0.98 N ATOM 2654 CA LEU B 55 -31.853 5.909 -5.785 1.00 0.95 C ATOM 2655 C LEU B 55 -31.590 4.468 -6.206 1.00 0.99 C ATOM 2656 O LEU B 55 -30.496 3.946 -5.997 1.00 0.99 O ATOM 2657 CB LEU B 55 -32.479 5.943 -4.386 1.00 0.94 C ATOM 2658 CG LEU B 55 -31.856 6.950 -3.411 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -30.416 6.565 -3.087 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -31.918 8.362 -3.984 1.00 1.09 C ATOM 0 H LEU B 55 -33.608 6.894 -6.368 1.00 0.98 H new ATOM 0 HA LEU B 55 -30.898 6.434 -5.759 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -33.540 6.170 -4.487 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -32.406 4.947 -3.949 1.00 0.94 H new ATOM 0 HG LEU B 55 -32.432 6.930 -2.486 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -29.992 7.292 -2.394 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -30.398 5.575 -2.631 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -29.828 6.552 -4.004 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -31.471 9.061 -3.277 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -31.370 8.397 -4.925 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -32.958 8.638 -4.159 1.00 1.09 H new ATOM 2672 N ASN B 56 -32.585 3.842 -6.822 1.00 1.06 N ATOM 2673 CA ASN B 56 -32.460 2.455 -7.264 1.00 1.16 C ATOM 2674 C ASN B 56 -31.379 2.303 -8.334 1.00 1.20 C ATOM 2675 O ASN B 56 -30.587 1.362 -8.300 1.00 1.26 O ATOM 2676 CB ASN B 56 -33.803 1.938 -7.791 1.00 1.26 C ATOM 2677 CG ASN B 56 -33.831 0.429 -7.919 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -33.123 -0.283 -7.207 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -34.664 -0.066 -8.816 1.00 1.58 N ATOM 0 H ASN B 56 -33.487 4.271 -7.028 1.00 1.06 H new ATOM 0 HA ASN B 56 -32.164 1.859 -6.401 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -34.601 2.258 -7.121 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -34.005 2.386 -8.764 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -34.739 -1.076 -8.940 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -35.232 0.561 -9.385 1.00 1.58 H new ATOM 2686 N LYS B 57 -31.335 3.238 -9.277 1.00 1.21 N ATOM 2687 CA LYS B 57 -30.333 3.184 -10.343 1.00 1.29 C ATOM 2688 C LYS B 57 -28.979 3.660 -9.835 1.00 1.21 C ATOM 2689 O LYS B 57 -27.931 3.210 -10.307 1.00 1.26 O ATOM 2690 CB LYS B 57 -30.755 3.983 -11.586 1.00 1.39 C ATOM 2691 CG LYS B 57 -31.711 5.135 -11.316 1.00 1.52 C ATOM 2692 CD LYS B 57 -32.648 5.365 -12.494 1.00 1.62 C ATOM 2693 CE LYS B 57 -33.368 4.086 -12.887 1.00 1.73 C ATOM 2694 NZ LYS B 57 -34.697 4.350 -13.500 1.00 1.81 N ATOM 0 H LYS B 57 -31.971 4.034 -9.328 1.00 1.21 H new ATOM 0 HA LYS B 57 -30.249 2.140 -10.647 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -29.860 4.378 -12.066 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -31.223 3.301 -12.296 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -32.295 4.923 -10.420 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -31.142 6.044 -11.118 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -33.379 6.131 -12.235 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -32.080 5.741 -13.345 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -32.751 3.526 -13.590 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -33.496 3.458 -12.005 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -35.439 3.897 -12.929 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -34.865 5.376 -13.535 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -34.717 3.962 -14.465 1.00 1.81 H new ATOM 2708 N LEU B 58 -29.005 4.578 -8.876 1.00 1.12 N ATOM 2709 CA LEU B 58 -27.786 5.123 -8.292 1.00 1.09 C ATOM 2710 C LEU B 58 -27.010 4.036 -7.548 1.00 1.08 C ATOM 2711 O LEU B 58 -25.805 3.875 -7.751 1.00 1.11 O ATOM 2712 CB LEU B 58 -28.120 6.278 -7.348 1.00 1.06 C ATOM 2713 CG LEU B 58 -27.769 7.677 -7.869 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -26.264 7.835 -8.002 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -28.456 7.957 -9.199 1.00 1.40 C ATOM 0 H LEU B 58 -29.864 4.963 -8.484 1.00 1.12 H new ATOM 0 HA LEU B 58 -27.158 5.501 -9.099 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -29.187 6.248 -7.128 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -27.596 6.118 -6.406 1.00 1.06 H new ATOM 0 HG LEU B 58 -28.132 8.406 -7.144 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -26.034 8.834 -8.373 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -25.796 7.693 -7.028 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -25.880 7.091 -8.701 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -28.188 8.956 -9.544 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -28.135 7.221 -9.936 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -29.537 7.895 -9.071 1.00 1.40 H new ATOM 2727 N ILE B 59 -27.709 3.288 -6.693 1.00 1.08 N ATOM 2728 CA ILE B 59 -27.091 2.201 -5.934 1.00 1.15 C ATOM 2729 C ILE B 59 -26.576 1.130 -6.895 1.00 1.25 C ATOM 2730 O ILE B 59 -25.558 0.478 -6.644 1.00 1.32 O ATOM 2731 CB ILE B 59 -28.064 1.575 -4.895 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -27.292 0.712 -3.897 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -29.153 0.751 -5.564 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -26.527 1.513 -2.867 1.00 1.37 C ATOM 0 H ILE B 59 -28.704 3.416 -6.509 1.00 1.08 H new ATOM 0 HA ILE B 59 -26.258 2.623 -5.372 1.00 1.15 H new ATOM 0 HB ILE B 59 -28.547 2.395 -4.364 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -27.991 0.051 -3.385 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -26.594 0.077 -4.443 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -29.811 0.331 -4.803 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.732 1.388 -6.233 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -28.698 -0.058 -6.136 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -26.004 0.834 -2.193 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -25.803 2.155 -3.369 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -27.222 2.128 -2.295 1.00 1.37 H new ATOM 2746 N GLU B 60 -27.299 0.955 -7.996 1.00 1.29 N ATOM 2747 CA GLU B 60 -26.929 -0.002 -9.021 1.00 1.44 C ATOM 2748 C GLU B 60 -25.588 0.406 -9.621 1.00 1.40 C ATOM 2749 O GLU B 60 -24.711 -0.425 -9.851 1.00 1.51 O ATOM 2750 CB GLU B 60 -28.011 -0.042 -10.101 1.00 1.54 C ATOM 2751 CG GLU B 60 -27.823 -1.138 -11.136 1.00 1.75 C ATOM 2752 CD GLU B 60 -28.002 -0.623 -12.548 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -29.155 -0.409 -12.970 1.00 2.28 O ATOM 2754 OE2 GLU B 60 -26.984 -0.435 -13.243 1.00 2.17 O ATOM 0 H GLU B 60 -28.154 1.473 -8.198 1.00 1.29 H new ATOM 0 HA GLU B 60 -26.837 -0.998 -8.587 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -28.981 -0.174 -9.622 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -28.035 0.922 -10.610 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -26.827 -1.569 -11.031 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -28.538 -1.939 -10.949 1.00 1.75 H new ATOM 2761 N GLY B 61 -25.428 1.709 -9.827 1.00 1.29 N ATOM 2762 CA GLY B 61 -24.204 2.240 -10.385 1.00 1.28 C ATOM 2763 C GLY B 61 -23.009 2.014 -9.475 1.00 1.21 C ATOM 2764 O GLY B 61 -21.919 1.698 -9.946 1.00 1.23 O ATOM 0 H GLY B 61 -26.135 2.412 -9.613 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -24.015 1.772 -11.351 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -24.323 3.308 -10.566 1.00 1.28 H new ATOM 2768 N TYR B 62 -23.218 2.176 -8.170 1.00 1.19 N ATOM 2769 CA TYR B 62 -22.151 1.968 -7.191 1.00 1.23 C ATOM 2770 C TYR B 62 -21.783 0.492 -7.120 1.00 1.35 C ATOM 2771 O TYR B 62 -20.638 0.135 -6.847 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.587 2.450 -5.805 1.00 1.28 C ATOM 2773 CG TYR B 62 -22.852 3.934 -5.724 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -21.945 4.850 -6.235 1.00 2.25 C ATOM 2775 CD2 TYR B 62 -24.010 4.417 -5.129 1.00 2.11 C ATOM 2776 CE1 TYR B 62 -22.183 6.209 -6.158 1.00 2.90 C ATOM 2777 CE2 TYR B 62 -24.258 5.774 -5.045 1.00 2.72 C ATOM 2778 CZ TYR B 62 -23.340 6.667 -5.562 1.00 2.96 C ATOM 2779 OH TYR B 62 -23.579 8.018 -5.481 1.00 3.75 O ATOM 0 H TYR B 62 -24.114 2.450 -7.766 1.00 1.19 H new ATOM 0 HA TYR B 62 -21.282 2.544 -7.509 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -23.490 1.914 -5.513 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -21.814 2.190 -5.082 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -21.037 4.495 -6.701 1.00 2.25 H new ATOM 0 HD2 TYR B 62 -24.729 3.720 -4.725 1.00 2.11 H new ATOM 0 HE1 TYR B 62 -21.467 6.909 -6.562 1.00 2.90 H new ATOM 0 HE2 TYR B 62 -25.163 6.134 -4.578 1.00 2.72 H new ATOM 0 HH TYR B 62 -24.437 8.172 -5.034 1.00 3.75 H new ATOM 2789 N THR B 63 -22.767 -0.361 -7.365 1.00 1.51 N ATOM 2790 CA THR B 63 -22.561 -1.798 -7.333 1.00 1.71 C ATOM 2791 C THR B 63 -21.802 -2.265 -8.574 1.00 1.67 C ATOM 2792 O THR B 63 -20.828 -3.010 -8.477 1.00 1.80 O ATOM 2793 CB THR B 63 -23.909 -2.535 -7.232 1.00 1.94 C ATOM 2794 OG1 THR B 63 -24.645 -2.050 -6.097 1.00 2.00 O ATOM 2795 CG2 THR B 63 -23.709 -4.038 -7.110 1.00 2.31 C ATOM 0 H THR B 63 -23.721 -0.078 -7.589 1.00 1.51 H new ATOM 0 HA THR B 63 -21.964 -2.033 -6.452 1.00 1.71 H new ATOM 0 HB THR B 63 -24.471 -2.340 -8.145 1.00 1.94 H new ATOM 0 HG1 THR B 63 -25.001 -1.159 -6.295 1.00 2.00 H new ATOM 0 HG21 THR B 63 -24.679 -4.530 -7.041 1.00 2.31 H new ATOM 0 HG22 THR B 63 -23.177 -4.407 -7.987 1.00 2.31 H new ATOM 0 HG23 THR B 63 -23.127 -4.256 -6.215 1.00 2.31 H new ATOM 2803 N TYR B 64 -22.238 -1.799 -9.738 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.604 -2.172 -10.997 1.00 1.63 C ATOM 2805 C TYR B 64 -20.566 -1.131 -11.407 1.00 1.37 C ATOM 2806 O TYR B 64 -20.321 -0.906 -12.594 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.662 -2.330 -12.096 1.00 1.90 C ATOM 2808 CG TYR B 64 -23.667 -3.433 -11.827 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -24.687 -3.258 -10.901 1.00 2.81 C ATOM 2810 CD2 TYR B 64 -23.601 -4.647 -12.502 1.00 3.10 C ATOM 2811 CE1 TYR B 64 -25.608 -4.256 -10.653 1.00 3.50 C ATOM 2812 CE2 TYR B 64 -24.519 -5.649 -12.259 1.00 3.76 C ATOM 2813 CZ TYR B 64 -25.519 -5.449 -11.334 1.00 3.84 C ATOM 2814 OH TYR B 64 -26.433 -6.443 -11.091 1.00 4.62 O ATOM 0 H TYR B 64 -23.028 -1.162 -9.837 1.00 1.57 H new ATOM 0 HA TYR B 64 -21.096 -3.126 -10.858 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -23.195 -1.386 -12.212 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -22.161 -2.531 -13.043 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -24.761 -2.323 -10.365 1.00 2.81 H new ATOM 0 HD2 TYR B 64 -22.818 -4.809 -13.229 1.00 3.10 H new ATOM 0 HE1 TYR B 64 -26.394 -4.102 -9.929 1.00 3.50 H new ATOM 0 HE2 TYR B 64 -24.453 -6.586 -12.792 1.00 3.76 H new ATOM 0 HH TYR B 64 -26.230 -7.219 -11.654 1.00 4.62 H new ATOM 2824 N GLY B 65 -19.955 -0.506 -10.411 1.00 1.20 N ATOM 2825 CA GLY B 65 -18.954 0.503 -10.669 1.00 1.11 C ATOM 2826 C GLY B 65 -17.576 -0.095 -10.864 1.00 1.04 C ATOM 2827 O GLY B 65 -16.941 -0.549 -9.905 1.00 1.03 O ATOM 0 H GLY B 65 -20.138 -0.683 -9.423 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -19.232 1.069 -11.558 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.928 1.208 -9.838 1.00 1.11 H new ATOM 2831 N GLU B 66 -17.105 -0.095 -12.103 1.00 1.04 N ATOM 2832 CA GLU B 66 -15.798 -0.654 -12.430 1.00 1.02 C ATOM 2833 C GLU B 66 -14.669 0.139 -11.780 1.00 0.98 C ATOM 2834 O GLU B 66 -13.693 -0.438 -11.306 1.00 0.95 O ATOM 2835 CB GLU B 66 -15.603 -0.699 -13.944 1.00 1.10 C ATOM 2836 CG GLU B 66 -16.582 -1.623 -14.646 1.00 1.36 C ATOM 2837 CD GLU B 66 -16.594 -3.017 -14.055 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -15.561 -3.716 -14.146 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -17.632 -3.419 -13.497 1.00 2.08 O ATOM 0 H GLU B 66 -17.610 0.287 -12.903 1.00 1.04 H new ATOM 0 HA GLU B 66 -15.765 -1.669 -12.034 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -15.710 0.308 -14.348 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -14.586 -1.024 -14.163 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -17.584 -1.198 -14.585 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -16.325 -1.683 -15.703 1.00 1.36 H new ATOM 2846 N GLU B 67 -14.821 1.455 -11.729 1.00 1.00 N ATOM 2847 CA GLU B 67 -13.798 2.316 -11.142 1.00 1.01 C ATOM 2848 C GLU B 67 -13.649 2.038 -9.649 1.00 0.97 C ATOM 2849 O GLU B 67 -12.597 2.276 -9.060 1.00 0.95 O ATOM 2850 CB GLU B 67 -14.135 3.786 -11.394 1.00 1.10 C ATOM 2851 CG GLU B 67 -14.047 4.173 -12.864 1.00 1.53 C ATOM 2852 CD GLU B 67 -14.386 5.624 -13.107 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -13.549 6.493 -12.796 1.00 2.44 O ATOM 2854 OE2 GLU B 67 -15.491 5.904 -13.619 1.00 2.28 O ATOM 0 H GLU B 67 -15.639 1.950 -12.085 1.00 1.00 H new ATOM 0 HA GLU B 67 -12.843 2.096 -11.619 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -15.142 3.990 -11.030 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -13.455 4.413 -10.818 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -13.039 3.974 -13.228 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -14.724 3.544 -13.442 1.00 1.53 H new ATOM 2861 N ARG B 68 -14.708 1.518 -9.046 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.691 1.167 -7.634 1.00 0.99 C ATOM 2863 C ARG B 68 -13.767 -0.028 -7.440 1.00 0.95 C ATOM 2864 O ARG B 68 -12.979 -0.084 -6.494 1.00 0.95 O ATOM 2865 CB ARG B 68 -16.113 0.846 -7.161 1.00 1.04 C ATOM 2866 CG ARG B 68 -16.189 0.143 -5.818 1.00 1.10 C ATOM 2867 CD ARG B 68 -17.600 -0.337 -5.544 1.00 1.41 C ATOM 2868 NE ARG B 68 -17.702 -1.064 -4.283 1.00 1.59 N ATOM 2869 CZ ARG B 68 -18.848 -1.499 -3.767 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -19.989 -1.302 -4.415 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -18.852 -2.136 -2.602 1.00 2.17 N ATOM 0 H ARG B 68 -15.594 1.329 -9.515 1.00 0.98 H new ATOM 0 HA ARG B 68 -14.321 2.003 -7.040 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.681 1.775 -7.103 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -16.599 0.222 -7.911 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.503 -0.704 -5.806 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -15.871 0.823 -5.028 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -18.275 0.519 -5.523 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.927 -0.981 -6.360 1.00 1.41 H new ATOM 0 HE ARG B 68 -16.843 -1.250 -3.766 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -19.989 -0.816 -5.312 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -20.866 -1.637 -4.017 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -17.976 -2.292 -2.103 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -19.731 -2.470 -2.206 1.00 2.17 H new ATOM 2885 N LYS B 69 -13.863 -0.973 -8.372 1.00 0.94 N ATOM 2886 CA LYS B 69 -13.029 -2.165 -8.350 1.00 0.94 C ATOM 2887 C LYS B 69 -11.564 -1.779 -8.498 1.00 0.89 C ATOM 2888 O LYS B 69 -10.681 -2.420 -7.933 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.428 -3.115 -9.478 1.00 1.00 C ATOM 2890 CG LYS B 69 -14.665 -3.939 -9.172 1.00 1.28 C ATOM 2891 CD LYS B 69 -15.284 -4.501 -10.444 1.00 1.46 C ATOM 2892 CE LYS B 69 -14.257 -5.227 -11.303 1.00 1.55 C ATOM 2893 NZ LYS B 69 -14.859 -5.752 -12.555 1.00 1.70 N ATOM 0 H LYS B 69 -14.515 -0.933 -9.155 1.00 0.94 H new ATOM 0 HA LYS B 69 -13.173 -2.671 -7.395 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -13.603 -2.535 -10.384 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -12.596 -3.788 -9.686 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -14.403 -4.757 -8.501 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -15.397 -3.321 -8.651 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -16.089 -5.188 -10.183 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -15.730 -3.690 -11.019 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -13.442 -4.546 -11.549 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -13.824 -6.050 -10.735 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -14.193 -6.407 -13.013 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -15.741 -6.256 -12.331 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -15.065 -4.962 -13.199 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.321 -0.711 -9.251 1.00 0.89 N ATOM 2908 CA LEU B 70 -9.971 -0.220 -9.480 1.00 0.87 C ATOM 2909 C LEU B 70 -9.331 0.222 -8.169 1.00 0.83 C ATOM 2910 O LEU B 70 -8.139 0.009 -7.953 1.00 0.82 O ATOM 2911 CB LEU B 70 -9.982 0.942 -10.478 1.00 0.91 C ATOM 2912 CG LEU B 70 -8.727 1.824 -10.470 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -7.620 1.185 -11.292 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -9.046 3.220 -10.987 1.00 1.04 C ATOM 0 H LEU B 70 -12.049 -0.167 -9.715 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.380 -1.035 -9.899 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.115 0.537 -11.481 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -10.849 1.570 -10.270 1.00 0.91 H new ATOM 0 HG LEU B 70 -8.379 1.915 -9.441 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -6.738 1.825 -11.275 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -7.370 0.211 -10.871 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -7.957 1.060 -12.321 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -8.142 3.829 -10.973 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -9.422 3.153 -12.008 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -9.803 3.679 -10.351 1.00 1.04 H new ATOM 2926 N TYR B 71 -10.127 0.832 -7.295 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.626 1.297 -6.007 1.00 0.84 C ATOM 2928 C TYR B 71 -9.216 0.109 -5.141 1.00 0.83 C ATOM 2929 O TYR B 71 -8.168 0.131 -4.490 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.684 2.139 -5.281 1.00 0.91 C ATOM 2931 CG TYR B 71 -11.146 3.357 -6.064 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.232 4.147 -6.751 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.490 3.716 -6.119 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -10.640 5.255 -7.470 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -12.905 4.826 -6.836 1.00 1.09 C ATOM 2936 CZ TYR B 71 -11.976 5.591 -7.510 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.388 6.701 -8.224 1.00 1.19 O ATOM 0 H TYR B 71 -11.118 1.015 -7.455 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.753 1.924 -6.187 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.547 1.510 -5.063 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -10.279 2.467 -4.324 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.183 3.890 -6.723 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -13.221 3.119 -5.594 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -9.914 5.855 -7.999 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -13.951 5.091 -6.867 1.00 1.09 H new ATOM 0 HH TYR B 71 -12.683 7.399 -7.602 1.00 1.19 H new ATOM 2947 N ASP B 72 -10.045 -0.929 -5.148 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.766 -2.142 -4.382 1.00 0.88 C ATOM 2949 C ASP B 72 -8.492 -2.808 -4.906 1.00 0.85 C ATOM 2950 O ASP B 72 -7.647 -3.278 -4.138 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.959 -3.101 -4.474 1.00 0.95 C ATOM 2952 CG ASP B 72 -10.616 -4.522 -4.074 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -10.627 -4.830 -2.863 1.00 1.31 O ATOM 2954 OD2 ASP B 72 -10.358 -5.345 -4.979 1.00 1.32 O ATOM 0 H ASP B 72 -10.917 -0.956 -5.676 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.612 -1.881 -3.335 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -11.762 -2.734 -3.834 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -11.340 -3.100 -5.495 1.00 0.95 H new ATOM 2959 N SER B 73 -8.342 -2.795 -6.226 1.00 0.84 N ATOM 2960 CA SER B 73 -7.179 -3.384 -6.871 1.00 0.83 C ATOM 2961 C SER B 73 -5.919 -2.575 -6.566 1.00 0.79 C ATOM 2962 O SER B 73 -4.812 -3.103 -6.612 1.00 0.78 O ATOM 2963 CB SER B 73 -7.408 -3.473 -8.379 1.00 0.86 C ATOM 2964 OG SER B 73 -8.623 -4.147 -8.665 1.00 0.91 O ATOM 0 H SER B 73 -9.015 -2.381 -6.871 1.00 0.84 H new ATOM 0 HA SER B 73 -7.036 -4.390 -6.476 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.433 -2.471 -8.807 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.576 -3.999 -8.847 1.00 0.86 H new ATOM 0 HG SER B 73 -9.380 -3.575 -8.421 1.00 0.91 H new ATOM 2970 N ALA B 74 -6.096 -1.299 -6.247 1.00 0.79 N ATOM 2971 CA ALA B 74 -4.975 -0.426 -5.915 1.00 0.78 C ATOM 2972 C ALA B 74 -4.354 -0.856 -4.596 1.00 0.74 C ATOM 2973 O ALA B 74 -3.135 -0.823 -4.432 1.00 0.72 O ATOM 2974 CB ALA B 74 -5.422 1.025 -5.853 1.00 0.81 C ATOM 0 H ALA B 74 -7.008 -0.844 -6.211 1.00 0.79 H new ATOM 0 HA ALA B 74 -4.222 -0.511 -6.699 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -4.570 1.658 -5.604 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -5.825 1.323 -6.821 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -6.192 1.136 -5.090 1.00 0.81 H new ATOM 2980 N LEU B 75 -5.203 -1.278 -3.669 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.744 -1.750 -2.369 1.00 0.76 C ATOM 2982 C LEU B 75 -3.947 -3.034 -2.567 1.00 0.73 C ATOM 2983 O LEU B 75 -2.969 -3.293 -1.868 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.942 -1.994 -1.436 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.635 -2.062 0.071 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -5.131 -3.441 0.465 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -4.631 -0.992 0.474 1.00 1.14 C ATOM 0 H LEU B 75 -6.215 -1.303 -3.793 1.00 0.76 H new ATOM 0 HA LEU B 75 -4.108 -0.996 -1.906 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.670 -1.200 -1.601 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -6.419 -2.929 -1.730 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.566 -1.874 0.606 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.922 -3.460 1.535 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -5.890 -4.187 0.230 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -4.218 -3.666 -0.087 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -4.433 -1.063 1.543 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -3.702 -1.138 -0.078 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -5.038 -0.007 0.245 1.00 1.14 H new ATOM 2999 N SER B 76 -4.361 -3.818 -3.561 1.00 0.75 N ATOM 3000 CA SER B 76 -3.688 -5.069 -3.882 1.00 0.75 C ATOM 3001 C SER B 76 -2.283 -4.786 -4.409 1.00 0.72 C ATOM 3002 O SER B 76 -1.374 -5.604 -4.272 1.00 0.72 O ATOM 3003 CB SER B 76 -4.503 -5.854 -4.909 1.00 0.81 C ATOM 3004 OG SER B 76 -5.868 -5.913 -4.529 1.00 0.91 O ATOM 0 H SER B 76 -5.161 -3.606 -4.157 1.00 0.75 H new ATOM 0 HA SER B 76 -3.602 -5.671 -2.978 1.00 0.75 H new ATOM 0 HB2 SER B 76 -4.413 -5.383 -5.888 1.00 0.81 H new ATOM 0 HB3 SER B 76 -4.103 -6.864 -5.003 1.00 0.81 H new ATOM 0 HG SER B 76 -6.373 -6.418 -5.200 1.00 0.91 H new ATOM 3010 N LYS B 77 -2.113 -3.613 -5.013 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.818 -3.201 -5.531 1.00 0.71 C ATOM 3012 C LYS B 77 0.116 -2.908 -4.362 1.00 0.67 C ATOM 3013 O LYS B 77 1.328 -3.129 -4.435 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.962 -1.970 -6.431 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.875 -2.195 -7.630 1.00 0.93 C ATOM 3016 CD LYS B 77 -2.241 -0.889 -8.326 1.00 1.09 C ATOM 3017 CE LYS B 77 -1.178 -0.465 -9.325 1.00 1.34 C ATOM 3018 NZ LYS B 77 -1.573 0.757 -10.070 1.00 1.68 N ATOM 0 H LYS B 77 -2.859 -2.932 -5.154 1.00 0.72 H new ATOM 0 HA LYS B 77 -0.398 -4.005 -6.135 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -1.351 -1.141 -5.839 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.025 -1.673 -6.787 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -1.382 -2.858 -8.341 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.785 -2.698 -7.303 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -3.196 -1.006 -8.839 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -2.373 -0.105 -7.581 1.00 1.09 H new ATOM 0 HE2 LYS B 77 -0.240 -0.283 -8.801 1.00 1.34 H new ATOM 0 HE3 LYS B 77 -0.998 -1.277 -10.029 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 -0.821 1.013 -10.741 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -2.455 0.576 -10.591 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 -1.720 1.539 -9.401 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.468 -2.405 -3.279 1.00 0.66 N ATOM 3033 CA ILE B 78 0.278 -2.112 -2.064 1.00 0.64 C ATOM 3034 C ILE B 78 0.780 -3.422 -1.462 1.00 0.63 C ATOM 3035 O ILE B 78 1.914 -3.513 -0.983 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.601 -1.358 -1.036 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -0.882 0.068 -1.524 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.057 -1.338 0.340 1.00 0.79 C ATOM 3039 CD1 ILE B 78 0.316 0.990 -1.442 1.00 1.15 C ATOM 0 H ILE B 78 -1.464 -2.191 -3.220 1.00 0.66 H new ATOM 0 HA ILE B 78 1.122 -1.469 -2.315 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.549 -1.888 -0.943 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.227 0.027 -2.557 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.695 0.490 -0.933 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.583 -0.802 1.041 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.202 -2.360 0.689 1.00 0.79 H new ATOM 0 HG23 ILE B 78 1.023 -0.837 0.274 1.00 0.79 H new ATOM 0 HD11 ILE B 78 0.039 1.980 -1.804 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.649 1.063 -0.407 1.00 1.15 H new ATOM 0 HD13 ILE B 78 1.124 0.592 -2.056 1.00 1.15 H new ATOM 3051 N GLU B 79 -0.077 -4.443 -1.523 1.00 0.65 N ATOM 3052 CA GLU B 79 0.257 -5.769 -1.010 1.00 0.67 C ATOM 3053 C GLU B 79 1.484 -6.309 -1.737 1.00 0.67 C ATOM 3054 O GLU B 79 2.338 -6.956 -1.135 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.932 -6.726 -1.178 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.675 -8.123 -0.633 1.00 0.77 C ATOM 3057 CD GLU B 79 -1.791 -9.096 -0.958 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -2.353 -9.023 -2.072 1.00 1.74 O ATOM 3059 OE2 GLU B 79 -2.114 -9.940 -0.098 1.00 1.59 O ATOM 0 H GLU B 79 -1.012 -4.374 -1.925 1.00 0.65 H new ATOM 0 HA GLU B 79 0.482 -5.690 0.054 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.801 -6.303 -0.674 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -1.182 -6.799 -2.237 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.261 -8.501 -1.043 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.550 -8.069 0.448 1.00 0.77 H new ATOM 3066 N LYS B 80 1.570 -6.012 -3.029 1.00 0.67 N ATOM 3067 CA LYS B 80 2.699 -6.442 -3.846 1.00 0.69 C ATOM 3068 C LYS B 80 3.994 -5.834 -3.322 1.00 0.68 C ATOM 3069 O LYS B 80 5.039 -6.488 -3.306 1.00 0.72 O ATOM 3070 CB LYS B 80 2.501 -6.033 -5.304 1.00 0.72 C ATOM 3071 CG LYS B 80 1.352 -6.754 -5.986 1.00 0.79 C ATOM 3072 CD LYS B 80 1.260 -6.397 -7.463 1.00 1.18 C ATOM 3073 CE LYS B 80 2.428 -6.968 -8.253 1.00 1.78 C ATOM 3074 NZ LYS B 80 2.593 -8.433 -8.041 1.00 2.05 N ATOM 0 H LYS B 80 0.868 -5.473 -3.535 1.00 0.67 H new ATOM 0 HA LYS B 80 2.760 -7.529 -3.789 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.324 -4.959 -5.351 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.420 -6.228 -5.856 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.484 -7.831 -5.879 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.416 -6.497 -5.491 1.00 0.79 H new ATOM 0 HD2 LYS B 80 0.324 -6.777 -7.872 1.00 1.18 H new ATOM 0 HD3 LYS B 80 1.240 -5.313 -7.575 1.00 1.18 H new ATOM 0 HE2 LYS B 80 2.276 -6.772 -9.314 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.345 -6.456 -7.962 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 3.178 -8.830 -8.803 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 3.056 -8.601 -7.125 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 1.660 -8.892 -8.046 1.00 2.05 H new ATOM 3088 N LEU B 81 3.923 -4.578 -2.897 1.00 0.65 N ATOM 3089 CA LEU B 81 5.087 -3.888 -2.361 1.00 0.67 C ATOM 3090 C LEU B 81 5.510 -4.526 -1.042 1.00 0.68 C ATOM 3091 O LEU B 81 6.697 -4.735 -0.804 1.00 0.72 O ATOM 3092 CB LEU B 81 4.794 -2.401 -2.158 1.00 0.67 C ATOM 3093 CG LEU B 81 5.665 -1.441 -2.977 1.00 0.78 C ATOM 3094 CD1 LEU B 81 7.132 -1.578 -2.594 1.00 1.02 C ATOM 3095 CD2 LEU B 81 5.479 -1.687 -4.465 1.00 0.97 C ATOM 0 H LEU B 81 3.071 -4.018 -2.914 1.00 0.65 H new ATOM 0 HA LEU B 81 5.902 -3.979 -3.079 1.00 0.67 H new ATOM 0 HB2 LEU B 81 3.749 -2.217 -2.406 1.00 0.67 H new ATOM 0 HB3 LEU B 81 4.918 -2.165 -1.101 1.00 0.67 H new ATOM 0 HG LEU B 81 5.348 -0.423 -2.753 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.729 -0.887 -3.189 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.255 -1.346 -1.536 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.463 -2.599 -2.783 1.00 1.02 H new ATOM 0 HD21 LEU B 81 6.105 -0.996 -5.029 1.00 0.97 H new ATOM 0 HD22 LEU B 81 5.764 -2.712 -4.703 1.00 0.97 H new ATOM 0 HD23 LEU B 81 4.434 -1.530 -4.732 1.00 0.97 H new ATOM 3107 N ILE B 82 4.528 -4.838 -0.198 1.00 0.68 N ATOM 3108 CA ILE B 82 4.789 -5.479 1.087 1.00 0.72 C ATOM 3109 C ILE B 82 5.470 -6.830 0.861 1.00 0.77 C ATOM 3110 O ILE B 82 6.424 -7.189 1.554 1.00 0.81 O ATOM 3111 CB ILE B 82 3.476 -5.678 1.884 1.00 0.72 C ATOM 3112 CG1 ILE B 82 2.783 -4.324 2.096 1.00 0.70 C ATOM 3113 CG2 ILE B 82 3.758 -6.354 3.218 1.00 0.78 C ATOM 3114 CD1 ILE B 82 1.459 -4.403 2.834 1.00 0.72 C ATOM 0 H ILE B 82 3.542 -4.656 -0.383 1.00 0.68 H new ATOM 0 HA ILE B 82 5.446 -4.832 1.668 1.00 0.72 H new ATOM 0 HB ILE B 82 2.811 -6.325 1.312 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.455 -3.669 2.651 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.616 -3.860 1.124 1.00 0.70 H new ATOM 0 HG21 ILE B 82 2.824 -6.485 3.764 1.00 0.78 H new ATOM 0 HG22 ILE B 82 4.216 -7.327 3.043 1.00 0.78 H new ATOM 0 HG23 ILE B 82 4.436 -5.734 3.804 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.041 -3.402 2.939 1.00 0.72 H new ATOM 0 HD12 ILE B 82 0.766 -5.029 2.272 1.00 0.72 H new ATOM 0 HD13 ILE B 82 1.618 -4.835 3.822 1.00 0.72 H new ATOM 3126 N GLU B 83 4.981 -7.545 -0.143 1.00 0.78 N ATOM 3127 CA GLU B 83 5.515 -8.850 -0.522 1.00 0.85 C ATOM 3128 C GLU B 83 6.954 -8.720 -1.035 1.00 0.87 C ATOM 3129 O GLU B 83 7.744 -9.660 -0.947 1.00 0.94 O ATOM 3130 CB GLU B 83 4.610 -9.459 -1.597 1.00 0.88 C ATOM 3131 CG GLU B 83 5.126 -10.750 -2.204 1.00 1.11 C ATOM 3132 CD GLU B 83 4.160 -11.327 -3.214 1.00 1.73 C ATOM 3133 OE1 GLU B 83 3.191 -11.991 -2.795 1.00 2.25 O ATOM 3134 OE2 GLU B 83 4.359 -11.118 -4.430 1.00 2.41 O ATOM 0 H GLU B 83 4.199 -7.237 -0.721 1.00 0.78 H new ATOM 0 HA GLU B 83 5.535 -9.503 0.351 1.00 0.85 H new ATOM 0 HB2 GLU B 83 3.628 -9.645 -1.163 1.00 0.88 H new ATOM 0 HB3 GLU B 83 4.473 -8.728 -2.394 1.00 0.88 H new ATOM 0 HG2 GLU B 83 6.087 -10.566 -2.685 1.00 1.11 H new ATOM 0 HG3 GLU B 83 5.301 -11.478 -1.412 1.00 1.11 H new ATOM 3141 N THR B 84 7.293 -7.546 -1.558 1.00 0.83 N ATOM 3142 CA THR B 84 8.633 -7.295 -2.065 1.00 0.87 C ATOM 3143 C THR B 84 9.595 -7.003 -0.911 1.00 0.91 C ATOM 3144 O THR B 84 10.783 -7.312 -0.983 1.00 0.98 O ATOM 3145 CB THR B 84 8.635 -6.116 -3.063 1.00 0.84 C ATOM 3146 OG1 THR B 84 7.605 -6.302 -4.047 1.00 0.84 O ATOM 3147 CG2 THR B 84 9.978 -5.989 -3.766 1.00 0.87 C ATOM 0 H THR B 84 6.656 -6.754 -1.641 1.00 0.83 H new ATOM 0 HA THR B 84 8.967 -8.191 -2.588 1.00 0.87 H new ATOM 0 HB THR B 84 8.449 -5.203 -2.498 1.00 0.84 H new ATOM 0 HG1 THR B 84 6.729 -6.144 -3.637 1.00 0.84 H new ATOM 0 HG21 THR B 84 9.947 -5.150 -4.461 1.00 0.87 H new ATOM 0 HG22 THR B 84 10.761 -5.819 -3.027 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.190 -6.907 -4.314 1.00 0.87 H new ATOM 3155 N LEU B 85 9.060 -6.426 0.163 1.00 0.90 N ATOM 3156 CA LEU B 85 9.860 -6.100 1.338 1.00 0.98 C ATOM 3157 C LEU B 85 10.168 -7.360 2.136 1.00 1.07 C ATOM 3158 O LEU B 85 11.221 -7.473 2.763 1.00 1.22 O ATOM 3159 CB LEU B 85 9.125 -5.094 2.223 1.00 0.97 C ATOM 3160 CG LEU B 85 8.866 -3.736 1.575 1.00 0.91 C ATOM 3161 CD1 LEU B 85 7.864 -2.944 2.391 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.163 -2.949 1.425 1.00 1.01 C ATOM 0 H LEU B 85 8.075 -6.175 0.242 1.00 0.90 H new ATOM 0 HA LEU B 85 10.797 -5.656 1.001 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.170 -5.525 2.522 1.00 0.97 H new ATOM 0 HB3 LEU B 85 9.705 -4.941 3.133 1.00 0.97 H new ATOM 0 HG LEU B 85 8.453 -3.908 0.581 1.00 0.91 H new ATOM 0 HD11 LEU B 85 7.690 -1.978 1.916 1.00 1.03 H new ATOM 0 HD12 LEU B 85 6.925 -3.495 2.448 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.255 -2.788 3.396 1.00 1.03 H new ATOM 0 HD21 LEU B 85 9.952 -1.985 0.961 1.00 1.01 H new ATOM 0 HD22 LEU B 85 10.607 -2.789 2.407 1.00 1.01 H new ATOM 0 HD23 LEU B 85 10.858 -3.509 0.799 1.00 1.01 H new ATOM 3174 N SER B 86 9.232 -8.301 2.123 1.00 1.08 N ATOM 3175 CA SER B 86 9.395 -9.562 2.832 1.00 1.20 C ATOM 3176 C SER B 86 8.574 -10.658 2.155 1.00 1.59 C ATOM 3177 O SER B 86 7.369 -10.770 2.384 1.00 2.11 O ATOM 3178 CB SER B 86 8.970 -9.408 4.295 1.00 1.48 C ATOM 3179 OG SER B 86 9.771 -8.437 4.946 1.00 1.78 O ATOM 0 H SER B 86 8.346 -8.212 1.625 1.00 1.08 H new ATOM 0 HA SER B 86 10.447 -9.845 2.803 1.00 1.20 H new ATOM 0 HB2 SER B 86 7.921 -9.116 4.346 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.060 -10.365 4.808 1.00 1.48 H new ATOM 0 HG SER B 86 9.485 -8.350 5.879 1.00 1.78 H new