USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1106 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 15 LYS NZ :NH3+ 166:sc= 0.446 (180deg=-0.411) USER MOD Set 1.2: B 13 GLN : amide:sc= -2.07! C(o=-1.6!,f=-8!) USER MOD Set 2.1: A 13 GLN : amide:sc= -1.81! C(o=-1.3!,f=-7.9!) USER MOD Set 2.2: B 15 LYS NZ :NH3+ 164:sc= 0.532 (180deg=-0.344) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.27) USER MOD Single : A 7 THR OG1 : rot 64:sc= 0.0258 USER MOD Single : A 10 SER OG : rot 170:sc= 0.0049 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -30:sc= 1.25 USER MOD Single : A 36 SER OG : rot 90:sc= 0.263 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 42 ASN : amide:sc= -0.408 K(o=-0.41,f=-2.6!) USER MOD Single : A 45 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 2.11 (180deg=1.38) USER MOD Single : A 55 GLN : amide:sc= -4.78! K(o=-4.8!,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= -2.5! C(o=-2.5!,f=-5.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.33) USER MOD Single : A 63 GLN : amide:sc= -1.37! X(o=-1.4!,f=-1.3) USER MOD Single : B 3 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.26) USER MOD Single : B 7 THR OG1 : rot 66:sc= 0.0348 USER MOD Single : B 10 SER OG : rot 41:sc= -0.137 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 TYR OH : rot -29:sc= 1.23 USER MOD Single : B 36 SER OG : rot 90:sc= 0.272 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : B 42 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.6!) USER MOD Single : B 45 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : B 53 LYS NZ :NH3+ -146:sc= 2.06 (180deg=1.47) USER MOD Single : B 55 GLN : amide:sc= -4.69! K(o=-4.7!,f=-1.4) USER MOD Single : B 56 GLN : amide:sc= -2.67! C(o=-2.7!,f=-6.1!) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=-0.32) USER MOD Single : B 63 GLN : amide:sc= -1.19! X(o=-1.2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -6.651 -14.473 3.553 1.00 2.52 N ATOM 21 CA GLU A 2 -5.495 -13.671 3.644 1.00 2.21 C ATOM 22 C GLU A 2 -4.619 -13.902 2.496 1.00 1.84 C ATOM 23 O GLU A 2 -3.589 -13.209 2.362 1.00 1.98 O ATOM 24 CB GLU A 2 -4.781 -13.941 4.971 1.00 2.47 C ATOM 25 CG GLU A 2 -4.992 -15.388 5.425 1.00 2.84 C ATOM 26 CD GLU A 2 -4.115 -16.298 4.700 1.00 3.40 C ATOM 27 OE1 GLU A 2 -2.876 -16.132 4.731 1.00 3.74 O ATOM 28 OE2 GLU A 2 -4.605 -17.262 4.074 1.00 3.98 O ATOM 0 HA GLU A 2 -5.781 -12.619 3.624 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -3.715 -13.743 4.861 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -5.155 -13.259 5.734 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -4.800 -15.468 6.495 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -6.031 -15.675 5.265 1.00 2.84 H new ATOM 35 N LYS A 3 -4.917 -14.838 1.583 1.00 1.84 N ATOM 36 CA LYS A 3 -4.113 -15.003 0.433 1.00 1.95 C ATOM 37 C LYS A 3 -4.891 -14.538 -0.710 1.00 1.67 C ATOM 38 O LYS A 3 -5.983 -15.097 -0.949 1.00 1.92 O ATOM 39 CB LYS A 3 -3.771 -16.482 0.220 1.00 2.60 C ATOM 40 CG LYS A 3 -2.825 -17.012 1.301 1.00 3.26 C ATOM 41 CD LYS A 3 -1.377 -16.648 0.968 1.00 3.92 C ATOM 42 CE LYS A 3 -1.074 -15.209 1.386 1.00 4.14 C ATOM 43 NZ LYS A 3 -0.996 -15.131 2.843 1.00 4.84 N ATOM 0 H LYS A 3 -5.712 -15.474 1.646 1.00 1.84 H new ATOM 0 HA LYS A 3 -3.184 -14.444 0.548 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -4.689 -17.070 0.221 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -3.311 -16.611 -0.760 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -3.098 -16.593 2.270 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -2.925 -18.094 1.382 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -0.698 -17.331 1.478 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -1.203 -16.766 -0.102 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -0.134 -14.881 0.943 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -1.851 -14.540 1.016 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -0.841 -14.144 3.130 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -1.885 -15.476 3.257 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -0.206 -15.718 3.180 1.00 4.84 H new ATOM 57 N ARG A 4 -4.449 -13.531 -1.480 1.00 1.50 N ATOM 58 CA ARG A 4 -5.198 -13.056 -2.582 1.00 1.29 C ATOM 59 C ARG A 4 -5.534 -14.157 -3.485 1.00 1.50 C ATOM 60 O ARG A 4 -4.614 -14.760 -4.079 1.00 1.81 O ATOM 61 CB ARG A 4 -4.389 -11.986 -3.317 1.00 1.45 C ATOM 62 CG ARG A 4 -5.238 -11.358 -4.424 1.00 1.70 C ATOM 63 CD ARG A 4 -5.147 -12.205 -5.695 1.00 2.73 C ATOM 64 NE ARG A 4 -3.823 -12.170 -6.180 1.00 3.33 N ATOM 65 CZ ARG A 4 -3.237 -13.284 -6.641 1.00 4.45 C ATOM 66 NH1 ARG A 4 -3.900 -14.449 -6.651 1.00 5.09 N ATOM 67 NH2 ARG A 4 -1.979 -13.234 -7.099 1.00 5.20 N ATOM 0 H ARG A 4 -3.564 -13.046 -1.332 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.130 -12.619 -2.224 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -4.065 -11.217 -2.615 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -3.489 -12.428 -3.744 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -6.276 -11.283 -4.100 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -4.894 -10.344 -4.627 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -5.443 -13.233 -5.484 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -5.834 -11.824 -6.450 1.00 2.73 H new ATOM 0 HE ARG A 4 -3.307 -11.290 -6.180 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -4.859 -14.493 -6.306 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -3.446 -15.291 -7.004 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -1.470 -12.350 -7.096 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -1.530 -14.080 -7.450 1.00 5.20 H new ATOM 81 N PRO A 5 -6.810 -14.551 -3.632 1.00 1.56 N ATOM 82 CA PRO A 5 -7.159 -15.670 -4.422 1.00 1.84 C ATOM 83 C PRO A 5 -7.492 -15.324 -5.777 1.00 1.57 C ATOM 84 O PRO A 5 -6.607 -15.179 -6.604 1.00 1.86 O ATOM 85 CB PRO A 5 -8.411 -16.165 -3.692 1.00 2.15 C ATOM 86 CG PRO A 5 -9.055 -14.881 -3.165 1.00 2.06 C ATOM 87 CD PRO A 5 -7.881 -13.936 -2.915 1.00 1.65 C ATOM 0 HA PRO A 5 -6.345 -16.389 -4.516 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -9.080 -16.702 -4.364 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -8.158 -16.848 -2.881 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -9.754 -14.462 -3.889 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -9.617 -15.066 -2.250 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -8.087 -12.931 -3.283 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -7.655 -13.846 -1.852 1.00 1.65 H new ATOM 95 N ARG A 6 -8.736 -15.144 -6.151 1.00 1.20 N ATOM 96 CA ARG A 6 -9.045 -14.853 -7.495 1.00 1.13 C ATOM 97 C ARG A 6 -9.268 -13.424 -7.686 1.00 1.07 C ATOM 98 O ARG A 6 -10.422 -12.998 -7.910 1.00 1.44 O ATOM 99 CB ARG A 6 -10.283 -15.655 -7.897 1.00 1.21 C ATOM 100 CG ARG A 6 -9.955 -17.143 -7.755 1.00 1.55 C ATOM 101 CD ARG A 6 -11.153 -17.996 -8.177 1.00 1.87 C ATOM 102 NE ARG A 6 -10.822 -19.357 -8.014 1.00 2.69 N ATOM 103 CZ ARG A 6 -11.738 -20.307 -8.242 1.00 3.24 C ATOM 104 NH1 ARG A 6 -12.976 -19.968 -8.629 1.00 3.20 N ATOM 105 NH2 ARG A 6 -11.413 -21.598 -8.085 1.00 4.22 N ATOM 0 H ARG A 6 -9.541 -15.198 -5.527 1.00 1.20 H new ATOM 0 HA ARG A 6 -8.204 -15.134 -8.128 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -11.130 -15.390 -7.264 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -10.568 -15.425 -8.923 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -9.089 -17.391 -8.369 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -9.688 -17.366 -6.722 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -12.026 -17.745 -7.574 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -11.414 -17.793 -9.216 1.00 1.87 H new ATOM 0 HE ARG A 6 -9.881 -19.619 -7.721 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -13.221 -18.985 -8.750 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -13.673 -20.693 -8.802 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -10.470 -21.855 -7.793 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -12.109 -22.324 -8.258 1.00 4.22 H new ATOM 119 N THR A 7 -8.197 -12.616 -7.660 1.00 0.98 N ATOM 120 CA THR A 7 -8.241 -11.218 -7.884 1.00 0.88 C ATOM 121 C THR A 7 -9.407 -10.555 -7.303 1.00 0.88 C ATOM 122 O THR A 7 -10.101 -9.789 -8.008 1.00 0.89 O ATOM 123 CB THR A 7 -8.236 -10.971 -9.394 1.00 0.87 C ATOM 124 OG1 THR A 7 -9.406 -11.526 -9.977 1.00 0.95 O ATOM 125 CG2 THR A 7 -7.011 -11.652 -10.003 1.00 0.90 C ATOM 0 H THR A 7 -7.255 -12.961 -7.473 1.00 0.98 H new ATOM 0 HA THR A 7 -7.367 -10.792 -7.390 1.00 0.88 H new ATOM 0 HB THR A 7 -8.209 -9.898 -9.585 1.00 0.87 H new ATOM 0 HG1 THR A 7 -10.197 -11.065 -9.626 1.00 0.95 H new ATOM 0 HG21 THR A 7 -6.998 -11.482 -11.080 1.00 0.90 H new ATOM 0 HG22 THR A 7 -6.106 -11.237 -9.559 1.00 0.90 H new ATOM 0 HG23 THR A 7 -7.054 -12.723 -9.805 1.00 0.90 H new ATOM 133 N GLU A 8 -9.715 -10.744 -6.013 1.00 0.91 N ATOM 134 CA GLU A 8 -10.804 -10.064 -5.427 1.00 0.98 C ATOM 135 C GLU A 8 -10.338 -9.329 -4.253 1.00 0.96 C ATOM 136 O GLU A 8 -11.156 -9.099 -3.339 1.00 1.30 O ATOM 137 CB GLU A 8 -11.891 -11.063 -5.028 1.00 1.20 C ATOM 138 CG GLU A 8 -11.316 -12.110 -4.076 1.00 1.29 C ATOM 139 CD GLU A 8 -12.371 -13.051 -3.710 1.00 1.75 C ATOM 140 OE1 GLU A 8 -13.415 -12.635 -3.163 1.00 2.27 O ATOM 141 OE2 GLU A 8 -12.241 -14.269 -3.958 1.00 2.22 O ATOM 0 H GLU A 8 -9.208 -11.366 -5.384 1.00 0.91 H new ATOM 0 HA GLU A 8 -11.225 -9.363 -6.147 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -12.719 -10.540 -4.549 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -12.293 -11.550 -5.917 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -10.489 -12.638 -4.552 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -10.915 -11.628 -3.184 1.00 1.29 H new ATOM 148 N PHE A 9 -9.047 -8.950 -4.200 1.00 0.75 N ATOM 149 CA PHE A 9 -8.403 -8.262 -3.135 1.00 0.68 C ATOM 150 C PHE A 9 -8.556 -8.933 -1.842 1.00 0.81 C ATOM 151 O PHE A 9 -9.678 -9.173 -1.350 1.00 0.93 O ATOM 152 CB PHE A 9 -8.779 -6.774 -3.019 1.00 0.55 C ATOM 153 CG PHE A 9 -10.158 -6.531 -2.599 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.511 -6.675 -1.262 1.00 0.87 C ATOM 155 CD2 PHE A 9 -11.124 -6.175 -3.534 1.00 0.82 C ATOM 156 CE1 PHE A 9 -11.825 -6.461 -0.861 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.439 -5.962 -3.134 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.789 -6.105 -1.797 1.00 0.72 C ATOM 0 H PHE A 9 -8.407 -9.144 -4.970 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.349 -8.295 -3.410 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.106 -6.296 -2.308 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.616 -6.294 -3.984 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -9.764 -6.953 -0.534 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -10.852 -6.064 -4.573 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.097 -6.571 0.178 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -13.187 -5.686 -3.862 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.810 -5.940 -1.485 1.00 0.72 H new ATOM 168 N SER A 10 -7.457 -9.246 -1.142 1.00 0.92 N ATOM 169 CA SER A 10 -7.570 -9.904 0.100 1.00 1.07 C ATOM 170 C SER A 10 -6.963 -9.096 1.151 1.00 0.95 C ATOM 171 O SER A 10 -6.469 -7.989 0.853 1.00 0.79 O ATOM 172 CB SER A 10 -6.863 -11.255 0.022 1.00 1.27 C ATOM 173 OG SER A 10 -7.091 -11.977 1.220 1.00 1.65 O ATOM 0 H SER A 10 -6.502 -9.043 -1.439 1.00 0.92 H new ATOM 0 HA SER A 10 -8.624 -10.053 0.332 1.00 1.07 H new ATOM 0 HB2 SER A 10 -7.232 -11.822 -0.833 1.00 1.27 H new ATOM 0 HB3 SER A 10 -5.793 -11.110 -0.130 1.00 1.27 H new ATOM 0 HG SER A 10 -6.778 -12.899 1.111 1.00 1.65 H new ATOM 179 N GLU A 11 -6.932 -9.555 2.412 1.00 1.08 N ATOM 180 CA GLU A 11 -6.426 -8.777 3.480 1.00 1.08 C ATOM 181 C GLU A 11 -5.102 -8.211 3.232 1.00 0.96 C ATOM 182 O GLU A 11 -4.925 -6.982 3.385 1.00 0.94 O ATOM 183 CB GLU A 11 -6.350 -9.656 4.727 1.00 1.26 C ATOM 184 CG GLU A 11 -5.773 -8.836 5.884 1.00 1.21 C ATOM 185 CD GLU A 11 -6.588 -7.645 6.104 1.00 1.81 C ATOM 186 OE1 GLU A 11 -7.811 -7.753 6.338 1.00 2.60 O ATOM 187 OE2 GLU A 11 -6.052 -6.516 6.074 1.00 2.29 O ATOM 0 H GLU A 11 -7.264 -10.479 2.687 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.108 -7.936 3.603 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -7.342 -10.027 4.987 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -5.724 -10.528 4.535 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -5.744 -9.440 6.791 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -4.746 -8.548 5.660 1.00 1.21 H new ATOM 194 N GLU A 12 -4.062 -8.979 2.876 1.00 0.93 N ATOM 195 CA GLU A 12 -2.790 -8.392 2.694 1.00 0.82 C ATOM 196 C GLU A 12 -2.701 -7.555 1.496 1.00 0.71 C ATOM 197 O GLU A 12 -1.634 -6.957 1.238 1.00 0.70 O ATOM 198 CB GLU A 12 -1.681 -9.444 2.746 1.00 0.85 C ATOM 199 CG GLU A 12 -1.813 -10.481 1.633 1.00 1.17 C ATOM 200 CD GLU A 12 -0.805 -11.504 1.893 1.00 2.13 C ATOM 201 OE1 GLU A 12 -0.950 -12.283 2.860 1.00 2.73 O ATOM 202 OE2 GLU A 12 0.250 -11.537 1.224 1.00 2.46 O ATOM 0 H GLU A 12 -4.105 -9.986 2.718 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.643 -7.712 3.533 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -0.712 -8.951 2.667 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -1.705 -9.947 3.713 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -2.813 -10.916 1.625 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.657 -10.023 0.656 1.00 1.17 H new ATOM 209 N GLN A 13 -3.731 -7.401 0.653 1.00 0.67 N ATOM 210 CA GLN A 13 -3.599 -6.513 -0.432 1.00 0.57 C ATOM 211 C GLN A 13 -4.370 -5.313 -0.112 1.00 0.52 C ATOM 212 O GLN A 13 -4.339 -4.320 -0.872 1.00 0.47 O ATOM 213 CB GLN A 13 -4.085 -7.159 -1.729 1.00 0.62 C ATOM 214 CG GLN A 13 -3.215 -8.379 -2.044 1.00 0.82 C ATOM 215 CD GLN A 13 -1.892 -7.945 -2.487 1.00 1.48 C ATOM 216 OE1 GLN A 13 -1.517 -8.157 -3.661 1.00 2.34 O ATOM 217 NE2 GLN A 13 -1.074 -7.334 -1.617 1.00 2.04 N ATOM 0 H GLN A 13 -4.628 -7.880 0.725 1.00 0.67 H new ATOM 0 HA GLN A 13 -2.552 -6.254 -0.589 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -5.129 -7.458 -1.631 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -4.035 -6.441 -2.548 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -3.123 -9.009 -1.159 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -3.687 -8.983 -2.818 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -1.383 -7.163 -0.660 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -0.143 -7.041 -1.912 1.00 2.04 H new ATOM 226 N LYS A 14 -5.083 -5.267 1.025 1.00 0.57 N ATOM 227 CA LYS A 14 -5.771 -4.091 1.390 1.00 0.57 C ATOM 228 C LYS A 14 -4.835 -3.110 1.936 1.00 0.60 C ATOM 229 O LYS A 14 -5.246 -1.956 2.184 1.00 0.60 O ATOM 230 CB LYS A 14 -6.821 -4.391 2.464 1.00 0.65 C ATOM 231 CG LYS A 14 -7.949 -5.253 1.894 1.00 0.67 C ATOM 232 CD LYS A 14 -8.930 -5.595 3.017 1.00 1.04 C ATOM 233 CE LYS A 14 -10.081 -6.434 2.460 1.00 1.36 C ATOM 234 NZ LYS A 14 -10.996 -6.779 3.548 1.00 1.71 N ATOM 0 H LYS A 14 -5.177 -6.042 1.681 1.00 0.57 H new ATOM 0 HA LYS A 14 -6.256 -3.698 0.496 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.353 -4.905 3.303 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.230 -3.457 2.850 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -8.463 -4.720 1.094 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -7.542 -6.166 1.458 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -8.417 -6.144 3.807 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.318 -4.680 3.465 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -10.610 -5.878 1.686 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -9.694 -7.340 1.994 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -11.781 -7.350 3.174 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -10.485 -7.324 4.271 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -11.373 -5.908 3.973 1.00 1.71 H new ATOM 248 N LYS A 15 -3.545 -3.405 2.170 1.00 0.68 N ATOM 249 CA LYS A 15 -2.702 -2.395 2.680 1.00 0.73 C ATOM 250 C LYS A 15 -2.172 -1.602 1.574 1.00 0.66 C ATOM 251 O LYS A 15 -1.399 -0.648 1.808 1.00 0.70 O ATOM 252 CB LYS A 15 -1.520 -2.993 3.446 1.00 0.82 C ATOM 253 CG LYS A 15 -1.968 -3.509 4.815 1.00 0.97 C ATOM 254 CD LYS A 15 -2.168 -5.024 4.765 1.00 1.51 C ATOM 255 CE LYS A 15 -0.844 -5.645 4.320 1.00 1.07 C ATOM 256 NZ LYS A 15 -0.607 -6.920 4.997 1.00 1.94 N ATOM 0 H LYS A 15 -3.106 -4.312 2.010 1.00 0.68 H new ATOM 0 HA LYS A 15 -3.292 -1.777 3.357 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -1.082 -3.808 2.870 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -0.743 -2.239 3.572 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -1.222 -3.257 5.569 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -2.897 -3.021 5.110 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -2.461 -5.405 5.743 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -2.966 -5.283 4.070 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -0.855 -5.799 3.241 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -0.026 -4.958 4.535 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 0.161 -7.431 4.516 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -0.339 -6.743 5.986 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -1.474 -7.493 4.971 1.00 1.94 H new ATOM 270 N ALA A 16 -2.547 -1.856 0.314 1.00 0.58 N ATOM 271 CA ALA A 16 -2.126 -1.002 -0.719 1.00 0.53 C ATOM 272 C ALA A 16 -3.158 0.021 -0.811 1.00 0.50 C ATOM 273 O ALA A 16 -2.862 1.235 -0.829 1.00 0.60 O ATOM 274 CB ALA A 16 -2.020 -1.780 -2.031 1.00 0.46 C ATOM 0 H ALA A 16 -3.131 -2.640 0.023 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.145 -0.569 -0.525 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.693 -1.110 -2.826 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.297 -2.588 -1.917 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.994 -2.198 -2.286 1.00 0.46 H new ATOM 280 N LEU A 17 -4.446 -0.350 -0.793 1.00 0.44 N ATOM 281 CA LEU A 17 -5.442 0.641 -0.862 1.00 0.46 C ATOM 282 C LEU A 17 -5.561 1.316 0.427 1.00 0.57 C ATOM 283 O LEU A 17 -6.215 2.376 0.473 1.00 0.71 O ATOM 284 CB LEU A 17 -6.798 0.031 -1.216 1.00 0.42 C ATOM 285 CG LEU A 17 -6.850 -0.259 -2.716 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.782 -1.293 -3.068 1.00 0.39 C ATOM 287 CD2 LEU A 17 -8.226 -0.808 -3.093 1.00 0.38 C ATOM 0 H LEU A 17 -4.782 -1.311 -0.732 1.00 0.44 H new ATOM 0 HA LEU A 17 -5.153 1.351 -1.637 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.954 -0.888 -0.651 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.600 0.715 -0.939 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.668 0.664 -3.266 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.816 -1.502 -4.137 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.798 -0.904 -2.806 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.968 -2.212 -2.512 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -8.255 -1.012 -4.163 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -8.413 -1.730 -2.542 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.992 -0.074 -2.843 1.00 0.38 H new ATOM 299 N ASP A 18 -4.998 0.832 1.545 1.00 0.59 N ATOM 300 CA ASP A 18 -5.069 1.559 2.754 1.00 0.70 C ATOM 301 C ASP A 18 -4.216 2.741 2.652 1.00 0.73 C ATOM 302 O ASP A 18 -4.638 3.861 3.011 1.00 0.82 O ATOM 303 CB ASP A 18 -4.571 0.688 3.909 1.00 0.76 C ATOM 304 CG ASP A 18 -4.682 1.429 5.164 1.00 0.97 C ATOM 305 OD1 ASP A 18 -5.796 1.820 5.574 1.00 1.24 O ATOM 306 OD2 ASP A 18 -3.659 1.679 5.837 1.00 1.76 O ATOM 0 H ASP A 18 -4.499 -0.056 1.605 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.102 1.855 2.938 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -5.156 -0.230 3.964 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -3.535 0.396 3.737 1.00 0.76 H new ATOM 311 N LEU A 19 -2.975 2.616 2.155 1.00 0.68 N ATOM 312 CA LEU A 19 -2.124 3.739 2.056 1.00 0.70 C ATOM 313 C LEU A 19 -2.475 4.559 0.897 1.00 0.71 C ATOM 314 O LEU A 19 -1.907 5.661 0.738 1.00 0.85 O ATOM 315 CB LEU A 19 -0.679 3.263 1.892 1.00 0.60 C ATOM 316 CG LEU A 19 -0.062 2.932 3.253 1.00 0.67 C ATOM 317 CD1 LEU A 19 -0.935 1.935 4.015 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.320 2.319 3.033 1.00 0.69 C ATOM 0 H LEU A 19 -2.570 1.740 1.826 1.00 0.68 H new ATOM 0 HA LEU A 19 -2.235 4.335 2.962 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.651 2.382 1.250 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.090 4.036 1.398 1.00 0.60 H new ATOM 0 HG LEU A 19 0.014 3.848 3.838 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.478 1.714 4.979 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -1.925 2.364 4.172 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -1.026 1.015 3.437 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.769 2.079 3.997 1.00 0.69 H new ATOM 0 HD22 LEU A 19 1.224 1.409 2.441 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.954 3.031 2.504 1.00 0.69 H new ATOM 330 N ALA A 20 -3.381 4.140 0.002 1.00 0.62 N ATOM 331 CA ALA A 20 -3.740 4.949 -1.097 1.00 0.70 C ATOM 332 C ALA A 20 -4.426 6.162 -0.654 1.00 0.84 C ATOM 333 O ALA A 20 -4.206 7.238 -1.247 1.00 1.21 O ATOM 334 CB ALA A 20 -4.688 4.156 -2.000 1.00 0.72 C ATOM 0 H ALA A 20 -3.860 3.241 0.046 1.00 0.62 H new ATOM 0 HA ALA A 20 -2.834 5.234 -1.631 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -4.974 4.769 -2.855 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -4.186 3.255 -2.352 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -5.579 3.879 -1.437 1.00 0.72 H new ATOM 340 N PHE A 21 -5.286 6.123 0.375 1.00 0.88 N ATOM 341 CA PHE A 21 -6.015 7.265 0.784 1.00 1.18 C ATOM 342 C PHE A 21 -5.208 8.457 1.038 1.00 1.61 C ATOM 343 O PHE A 21 -4.127 8.379 1.662 1.00 2.22 O ATOM 344 CB PHE A 21 -6.761 6.943 2.078 1.00 1.29 C ATOM 345 CG PHE A 21 -7.873 6.053 1.780 1.00 1.16 C ATOM 346 CD1 PHE A 21 -7.630 4.737 1.417 1.00 1.41 C ATOM 347 CD2 PHE A 21 -9.177 6.519 1.876 1.00 1.63 C ATOM 348 CE1 PHE A 21 -8.691 3.888 1.126 1.00 1.60 C ATOM 349 CE2 PHE A 21 -10.236 5.667 1.592 1.00 1.73 C ATOM 350 CZ PHE A 21 -9.997 4.352 1.215 1.00 1.50 C ATOM 0 H PHE A 21 -5.474 5.286 0.926 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.676 7.496 -0.051 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.086 6.474 2.794 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -7.127 7.860 2.539 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -6.615 4.371 1.360 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -9.367 7.541 2.171 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -8.500 2.867 0.831 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -11.251 6.029 1.665 1.00 1.73 H new ATOM 0 HZ PHE A 21 -10.823 3.693 0.992 1.00 1.50 H new ATOM 360 N TYR A 22 -5.761 9.629 0.683 1.00 1.98 N ATOM 361 CA TYR A 22 -5.183 10.904 0.898 1.00 2.50 C ATOM 362 C TYR A 22 -3.957 11.140 0.138 1.00 2.37 C ATOM 363 O TYR A 22 -2.961 10.398 0.268 1.00 2.86 O ATOM 364 CB TYR A 22 -4.897 11.109 2.389 1.00 3.05 C ATOM 365 CG TYR A 22 -6.150 11.015 3.133 1.00 4.37 C ATOM 366 CD1 TYR A 22 -7.151 11.959 2.932 1.00 4.86 C ATOM 367 CD2 TYR A 22 -6.359 9.958 4.011 1.00 4.57 C ATOM 368 CE1 TYR A 22 -8.357 11.849 3.614 1.00 5.31 C ATOM 369 CE2 TYR A 22 -7.566 9.846 4.692 1.00 5.05 C ATOM 370 CZ TYR A 22 -8.565 10.792 4.494 1.00 5.70 C ATOM 371 OH TYR A 22 -9.736 10.685 5.156 1.00 5.94 O ATOM 0 H TYR A 22 -6.667 9.681 0.218 1.00 1.98 H new ATOM 0 HA TYR A 22 -5.918 11.624 0.539 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -4.192 10.357 2.743 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -4.434 12.082 2.553 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -6.991 12.778 2.246 1.00 4.86 H new ATOM 0 HD2 TYR A 22 -5.583 9.223 4.164 1.00 4.57 H new ATOM 0 HE1 TYR A 22 -9.133 12.584 3.461 1.00 5.31 H new ATOM 0 HE2 TYR A 22 -7.727 9.025 5.374 1.00 5.05 H new ATOM 0 HH TYR A 22 -9.717 9.890 5.729 1.00 5.94 H new ATOM 381 N PHE A 23 -3.936 12.207 -0.680 1.00 2.53 N ATOM 382 CA PHE A 23 -2.805 12.598 -1.436 1.00 3.15 C ATOM 383 C PHE A 23 -2.477 11.649 -2.497 1.00 3.06 C ATOM 384 O PHE A 23 -2.608 12.004 -3.688 1.00 3.59 O ATOM 385 CB PHE A 23 -1.581 12.803 -0.542 1.00 3.86 C ATOM 386 CG PHE A 23 -1.820 13.895 0.396 1.00 4.35 C ATOM 387 CD1 PHE A 23 -1.868 15.205 -0.066 1.00 5.12 C ATOM 388 CD2 PHE A 23 -1.957 13.630 1.754 1.00 4.54 C ATOM 389 CE1 PHE A 23 -2.062 16.250 0.829 1.00 5.84 C ATOM 390 CE2 PHE A 23 -2.153 14.674 2.649 1.00 5.32 C ATOM 391 CZ PHE A 23 -2.205 15.984 2.186 1.00 6.77 C ATOM 0 H PHE A 23 -4.743 12.816 -0.815 1.00 2.53 H new ATOM 0 HA PHE A 23 -3.075 13.544 -1.905 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -1.363 11.885 0.005 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -0.707 13.025 -1.155 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -1.755 15.411 -1.120 1.00 5.12 H new ATOM 0 HD2 PHE A 23 -1.911 12.612 2.113 1.00 4.54 H new ATOM 0 HE1 PHE A 23 -2.102 17.268 0.471 1.00 5.84 H new ATOM 0 HE2 PHE A 23 -2.265 14.468 3.703 1.00 5.32 H new ATOM 0 HZ PHE A 23 -2.357 16.796 2.882 1.00 6.77 H new ATOM 401 N ASP A 24 -1.975 10.441 -2.201 1.00 2.69 N ATOM 402 CA ASP A 24 -1.627 9.519 -3.211 1.00 2.83 C ATOM 403 C ASP A 24 -2.843 9.122 -3.926 1.00 2.45 C ATOM 404 O ASP A 24 -2.853 9.112 -5.176 1.00 2.75 O ATOM 405 CB ASP A 24 -0.971 8.324 -2.516 1.00 3.31 C ATOM 406 CG ASP A 24 -0.361 7.436 -3.499 1.00 3.96 C ATOM 407 OD1 ASP A 24 0.551 7.860 -4.242 1.00 4.25 O ATOM 408 OD2 ASP A 24 -0.733 6.247 -3.590 1.00 4.50 O ATOM 0 H ASP A 24 -1.812 10.108 -1.251 1.00 2.69 H new ATOM 0 HA ASP A 24 -0.936 9.944 -3.939 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -0.214 8.674 -1.814 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -1.716 7.778 -1.936 1.00 3.31 H new ATOM 413 N ARG A 25 -3.925 8.796 -3.201 1.00 2.47 N ATOM 414 CA ARG A 25 -5.215 8.511 -3.718 1.00 2.98 C ATOM 415 C ARG A 25 -5.241 7.785 -4.987 1.00 2.31 C ATOM 416 O ARG A 25 -5.683 8.349 -6.012 1.00 2.72 O ATOM 417 CB ARG A 25 -6.042 9.798 -3.823 1.00 4.09 C ATOM 418 CG ARG A 25 -5.520 10.736 -4.914 1.00 4.69 C ATOM 419 CD ARG A 25 -6.341 12.025 -4.874 1.00 5.33 C ATOM 420 NE ARG A 25 -7.694 11.731 -5.136 1.00 5.75 N ATOM 421 CZ ARG A 25 -8.637 12.648 -4.881 1.00 6.57 C ATOM 422 NH1 ARG A 25 -8.291 13.831 -4.356 1.00 7.02 N ATOM 423 NH2 ARG A 25 -9.923 12.380 -5.147 1.00 7.21 N ATOM 0 H ARG A 25 -3.890 8.728 -2.184 1.00 2.47 H new ATOM 0 HA ARG A 25 -5.659 7.825 -2.997 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -7.081 9.544 -4.032 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -6.027 10.316 -2.864 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -4.464 10.954 -4.754 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -5.603 10.263 -5.893 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -6.244 12.500 -3.898 1.00 5.33 H new ATOM 0 HD3 ARG A 25 -5.962 12.732 -5.612 1.00 5.33 H new ATOM 0 HE ARG A 25 -7.955 10.822 -5.519 1.00 5.75 H new ATOM 0 HH11 ARG A 25 -7.312 14.032 -4.152 1.00 7.02 H new ATOM 0 HH12 ARG A 25 -9.007 14.531 -4.161 1.00 7.02 H new ATOM 0 HH21 ARG A 25 -10.184 11.477 -5.544 1.00 7.21 H new ATOM 0 HH22 ARG A 25 -10.640 13.079 -4.953 1.00 7.21 H new ATOM 437 N ARG A 26 -4.869 6.495 -5.038 1.00 1.76 N ATOM 438 CA ARG A 26 -4.942 5.750 -6.240 1.00 1.34 C ATOM 439 C ARG A 26 -6.329 5.410 -6.573 1.00 1.20 C ATOM 440 O ARG A 26 -6.675 4.210 -6.590 1.00 2.05 O ATOM 441 CB ARG A 26 -4.164 4.444 -6.051 1.00 2.02 C ATOM 442 CG ARG A 26 -2.717 4.767 -5.678 1.00 2.50 C ATOM 443 CD ARG A 26 -1.963 5.325 -6.885 1.00 2.91 C ATOM 444 NE ARG A 26 -0.744 5.868 -6.430 1.00 3.64 N ATOM 445 CZ ARG A 26 0.148 6.387 -7.285 1.00 4.57 C ATOM 446 NH1 ARG A 26 -0.060 6.329 -8.607 1.00 5.01 N ATOM 447 NH2 ARG A 26 1.250 6.982 -6.808 1.00 5.37 N ATOM 0 H ARG A 26 -4.516 5.971 -4.237 1.00 1.76 H new ATOM 0 HA ARG A 26 -4.524 6.354 -7.046 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -4.627 3.841 -5.270 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -4.192 3.854 -6.967 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -2.699 5.492 -4.864 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -2.220 3.867 -5.315 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -1.779 4.537 -7.616 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -2.557 6.090 -7.384 1.00 2.91 H new ATOM 0 HE ARG A 26 -0.537 5.866 -5.431 1.00 3.64 H new ATOM 0 HH11 ARG A 26 -0.904 5.887 -8.972 1.00 5.01 H new ATOM 0 HH12 ARG A 26 0.625 6.727 -9.249 1.00 5.01 H new ATOM 0 HH21 ARG A 26 1.405 7.037 -5.801 1.00 5.37 H new ATOM 0 HH22 ARG A 26 1.934 7.380 -7.452 1.00 5.37 H new ATOM 461 N LEU A 27 -7.223 6.364 -6.875 1.00 0.90 N ATOM 462 CA LEU A 27 -8.564 6.039 -7.176 1.00 0.73 C ATOM 463 C LEU A 27 -8.981 6.821 -8.340 1.00 0.78 C ATOM 464 O LEU A 27 -10.169 6.812 -8.727 1.00 1.03 O ATOM 465 CB LEU A 27 -9.438 6.382 -5.965 1.00 0.72 C ATOM 466 CG LEU A 27 -10.807 5.703 -6.086 1.00 0.80 C ATOM 467 CD1 LEU A 27 -11.664 6.395 -7.147 1.00 1.23 C ATOM 468 CD2 LEU A 27 -10.602 4.239 -6.476 1.00 0.86 C ATOM 0 H LEU A 27 -7.009 7.361 -6.909 1.00 0.90 H new ATOM 0 HA LEU A 27 -8.665 4.977 -7.399 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -8.944 6.059 -5.049 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -9.565 7.462 -5.894 1.00 0.72 H new ATOM 0 HG LEU A 27 -11.321 5.771 -5.127 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -12.631 5.896 -7.216 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -11.813 7.439 -6.870 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -11.160 6.344 -8.112 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -11.571 3.747 -6.565 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -10.080 4.187 -7.431 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -10.009 3.738 -5.711 1.00 0.86 H new ATOM 480 N THR A 28 -8.065 7.528 -9.014 1.00 0.82 N ATOM 481 CA THR A 28 -8.397 8.267 -10.171 1.00 0.94 C ATOM 482 C THR A 28 -8.125 7.365 -11.294 1.00 0.88 C ATOM 483 O THR A 28 -7.221 6.524 -11.128 1.00 0.81 O ATOM 484 CB THR A 28 -7.518 9.523 -10.168 1.00 1.13 C ATOM 485 OG1 THR A 28 -7.756 10.227 -8.959 1.00 1.31 O ATOM 486 CG2 THR A 28 -7.850 10.462 -11.330 1.00 1.26 C ATOM 0 H THR A 28 -7.082 7.584 -8.748 1.00 0.82 H new ATOM 0 HA THR A 28 -9.433 8.600 -10.228 1.00 0.94 H new ATOM 0 HB THR A 28 -6.479 9.208 -10.266 1.00 1.13 H new ATOM 0 HG1 THR A 28 -7.201 11.035 -8.936 1.00 1.31 H new ATOM 0 HG21 THR A 28 -7.202 11.338 -11.287 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.694 9.941 -12.275 1.00 1.26 H new ATOM 0 HG23 THR A 28 -8.891 10.777 -11.257 1.00 1.26 H new ATOM 494 N PRO A 29 -8.846 7.329 -12.428 1.00 0.93 N ATOM 495 CA PRO A 29 -8.639 6.361 -13.450 1.00 0.90 C ATOM 496 C PRO A 29 -7.287 6.059 -13.831 1.00 0.83 C ATOM 497 O PRO A 29 -6.983 4.887 -13.995 1.00 0.82 O ATOM 498 CB PRO A 29 -9.402 6.955 -14.632 1.00 1.01 C ATOM 499 CG PRO A 29 -10.569 7.654 -13.943 1.00 1.11 C ATOM 500 CD PRO A 29 -9.943 8.215 -12.666 1.00 1.07 C ATOM 0 HA PRO A 29 -8.974 5.389 -13.087 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -8.789 7.653 -15.203 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -9.740 6.186 -15.326 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -10.988 8.444 -14.566 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -11.379 6.959 -13.722 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -9.609 9.244 -12.799 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -10.650 8.214 -11.836 1.00 1.07 H new ATOM 508 N GLU A 30 -6.356 6.968 -13.999 1.00 0.83 N ATOM 509 CA GLU A 30 -5.058 6.551 -14.386 1.00 0.81 C ATOM 510 C GLU A 30 -4.259 6.166 -13.221 1.00 0.79 C ATOM 511 O GLU A 30 -3.103 5.713 -13.363 1.00 0.85 O ATOM 512 CB GLU A 30 -4.354 7.685 -15.132 1.00 0.89 C ATOM 513 CG GLU A 30 -3.021 7.170 -15.679 1.00 1.46 C ATOM 514 CD GLU A 30 -2.373 8.222 -16.457 1.00 2.09 C ATOM 515 OE1 GLU A 30 -2.132 9.330 -15.931 1.00 2.62 O ATOM 516 OE2 GLU A 30 -2.071 8.020 -17.653 1.00 2.72 O ATOM 0 H GLU A 30 -6.481 7.973 -13.874 1.00 0.83 H new ATOM 0 HA GLU A 30 -5.159 5.683 -15.038 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -4.981 8.046 -15.947 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -4.185 8.528 -14.462 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -2.375 6.860 -14.858 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -3.187 6.292 -16.303 1.00 1.46 H new ATOM 523 N TRP A 31 -4.789 6.298 -12.000 1.00 0.78 N ATOM 524 CA TRP A 31 -4.118 5.898 -10.830 1.00 0.79 C ATOM 525 C TRP A 31 -4.675 4.604 -10.428 1.00 0.70 C ATOM 526 O TRP A 31 -4.043 3.858 -9.648 1.00 0.71 O ATOM 527 CB TRP A 31 -4.353 6.979 -9.772 1.00 0.93 C ATOM 528 CG TRP A 31 -3.788 8.248 -10.229 1.00 1.38 C ATOM 529 CD1 TRP A 31 -4.150 8.969 -11.364 1.00 2.29 C ATOM 530 CD2 TRP A 31 -2.826 9.013 -9.586 1.00 1.67 C ATOM 531 NE1 TRP A 31 -3.416 10.095 -11.423 1.00 2.57 N ATOM 532 CE2 TRP A 31 -2.609 10.138 -10.352 1.00 2.12 C ATOM 533 CE3 TRP A 31 -2.154 8.806 -8.393 1.00 2.37 C ATOM 534 CZ2 TRP A 31 -1.686 11.101 -9.972 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -1.228 9.768 -7.996 1.00 3.11 C ATOM 536 CH2 TRP A 31 -0.993 10.900 -8.780 1.00 3.01 C ATOM 0 H TRP A 31 -5.713 6.696 -11.830 1.00 0.78 H new ATOM 0 HA TRP A 31 -3.043 5.784 -10.972 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -5.421 7.092 -9.585 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -3.893 6.684 -8.829 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -4.900 8.672 -12.082 1.00 2.29 H new ATOM 0 HE1 TRP A 31 -3.465 10.799 -12.160 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -2.341 7.929 -7.791 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 -1.510 11.977 -10.579 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -0.685 9.637 -7.071 1.00 3.11 H new ATOM 0 HH2 TRP A 31 -0.264 11.629 -8.458 1.00 3.01 H new ATOM 547 N ARG A 32 -5.876 4.228 -10.898 1.00 0.69 N ATOM 548 CA ARG A 32 -6.420 2.959 -10.598 1.00 0.62 C ATOM 549 C ARG A 32 -5.651 1.952 -11.320 1.00 0.61 C ATOM 550 O ARG A 32 -5.249 0.926 -10.732 1.00 0.60 O ATOM 551 CB ARG A 32 -7.852 2.861 -11.129 1.00 0.66 C ATOM 552 CG ARG A 32 -8.808 3.766 -10.354 1.00 0.89 C ATOM 553 CD ARG A 32 -10.160 3.763 -11.069 1.00 0.80 C ATOM 554 NE ARG A 32 -10.952 4.818 -10.574 1.00 0.83 N ATOM 555 CZ ARG A 32 -12.107 5.140 -11.171 1.00 0.85 C ATOM 556 NH1 ARG A 32 -12.527 4.465 -12.250 1.00 0.82 N ATOM 557 NH2 ARG A 32 -12.839 6.151 -10.684 1.00 0.97 N ATOM 0 H ARG A 32 -6.467 4.813 -11.489 1.00 0.69 H new ATOM 0 HA ARG A 32 -6.396 2.812 -9.518 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.868 3.134 -12.184 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -8.195 1.828 -11.062 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.920 3.411 -9.329 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -8.410 4.779 -10.299 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -10.016 3.875 -12.144 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.665 2.810 -10.912 1.00 0.80 H new ATOM 0 HE ARG A 32 -10.643 5.341 -9.754 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.966 3.699 -12.623 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -13.408 4.717 -12.698 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -12.515 6.667 -9.866 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -13.720 6.404 -11.131 1.00 0.97 H new ATOM 571 N ARG A 33 -5.374 2.138 -12.621 1.00 0.66 N ATOM 572 CA ARG A 33 -4.628 1.172 -13.328 1.00 0.69 C ATOM 573 C ARG A 33 -3.249 1.121 -12.845 1.00 0.72 C ATOM 574 O ARG A 33 -2.567 0.097 -13.060 1.00 0.73 O ATOM 575 CB ARG A 33 -4.633 1.508 -14.820 1.00 0.80 C ATOM 576 CG ARG A 33 -3.915 2.841 -15.044 1.00 1.16 C ATOM 577 CD ARG A 33 -3.924 3.185 -16.534 1.00 1.14 C ATOM 578 NE ARG A 33 -5.253 3.346 -16.977 1.00 1.66 N ATOM 579 CZ ARG A 33 -5.503 3.543 -18.279 1.00 2.23 C ATOM 580 NH1 ARG A 33 -4.490 3.579 -19.156 1.00 2.26 N ATOM 581 NH2 ARG A 33 -6.763 3.700 -18.706 1.00 3.10 N ATOM 0 H ARG A 33 -5.666 2.948 -13.168 1.00 0.66 H new ATOM 0 HA ARG A 33 -5.089 0.197 -13.167 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -4.139 0.717 -15.384 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -5.658 1.568 -15.187 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -4.407 3.630 -14.475 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -2.889 2.778 -14.681 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -3.359 4.100 -16.709 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -3.434 2.394 -17.103 1.00 1.14 H new ATOM 0 HE ARG A 33 -6.022 3.313 -16.308 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -3.531 3.457 -18.832 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -4.679 3.729 -20.147 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -7.535 3.670 -18.040 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -6.951 3.850 -19.697 1.00 3.10 H new ATOM 595 N TYR A 34 -2.720 2.158 -12.179 1.00 0.74 N ATOM 596 CA TYR A 34 -1.409 2.104 -11.660 1.00 0.77 C ATOM 597 C TYR A 34 -1.340 1.109 -10.597 1.00 0.65 C ATOM 598 O TYR A 34 -0.381 0.308 -10.540 1.00 0.68 O ATOM 599 CB TYR A 34 -1.050 3.448 -11.029 1.00 0.84 C ATOM 600 CG TYR A 34 0.257 3.317 -10.392 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.421 3.371 -11.149 1.00 1.24 C ATOM 602 CD2 TYR A 34 0.328 3.120 -9.018 1.00 1.37 C ATOM 603 CE1 TYR A 34 2.658 3.233 -10.528 1.00 1.18 C ATOM 604 CE2 TYR A 34 1.562 2.972 -8.399 1.00 1.65 C ATOM 605 CZ TYR A 34 2.726 3.027 -9.155 1.00 1.19 C ATOM 606 OH TYR A 34 3.921 2.873 -8.548 1.00 1.43 O ATOM 0 H TYR A 34 -3.210 3.035 -12.003 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.729 1.856 -12.475 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -1.027 4.230 -11.788 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.803 3.737 -10.296 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.365 3.520 -12.217 1.00 1.24 H new ATOM 0 HD2 TYR A 34 -0.578 3.082 -8.431 1.00 1.37 H new ATOM 0 HE1 TYR A 34 3.565 3.286 -11.112 1.00 1.18 H new ATOM 0 HE2 TYR A 34 1.617 2.814 -7.332 1.00 1.65 H new ATOM 0 HH TYR A 34 4.555 2.463 -9.173 1.00 1.43 H new ATOM 616 N LEU A 35 -2.311 1.096 -9.673 1.00 0.56 N ATOM 617 CA LEU A 35 -2.276 0.198 -8.589 1.00 0.49 C ATOM 618 C LEU A 35 -2.626 -1.143 -9.059 1.00 0.45 C ATOM 619 O LEU A 35 -1.870 -2.107 -8.814 1.00 0.46 O ATOM 620 CB LEU A 35 -3.333 0.668 -7.588 1.00 0.58 C ATOM 621 CG LEU A 35 -2.797 0.580 -6.158 1.00 0.66 C ATOM 622 CD1 LEU A 35 -3.951 0.814 -5.181 1.00 1.03 C ATOM 623 CD2 LEU A 35 -2.184 -0.794 -5.900 1.00 1.32 C ATOM 0 H LEU A 35 -3.121 1.715 -9.685 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.285 0.168 -8.136 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -3.622 1.695 -7.811 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -4.230 0.056 -7.684 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.025 1.337 -6.018 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.580 0.753 -4.158 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -4.379 1.801 -5.354 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -4.717 0.054 -5.334 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -1.808 -0.838 -4.878 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -2.943 -1.563 -6.041 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -1.363 -0.963 -6.596 1.00 1.32 H new ATOM 635 N SER A 36 -3.752 -1.306 -9.770 1.00 0.47 N ATOM 636 CA SER A 36 -4.189 -2.559 -10.261 1.00 0.48 C ATOM 637 C SER A 36 -3.154 -3.292 -10.988 1.00 0.59 C ATOM 638 O SER A 36 -3.033 -4.521 -10.791 1.00 0.66 O ATOM 639 CB SER A 36 -5.326 -2.298 -11.250 1.00 0.52 C ATOM 640 OG SER A 36 -6.456 -1.796 -10.556 1.00 1.35 O ATOM 0 H SER A 36 -4.376 -0.535 -10.008 1.00 0.47 H new ATOM 0 HA SER A 36 -4.484 -3.158 -9.400 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.005 -1.583 -12.008 1.00 0.52 H new ATOM 0 HB3 SER A 36 -5.587 -3.219 -11.771 1.00 0.52 H new ATOM 0 HG SER A 36 -6.410 -0.818 -10.520 1.00 1.35 H new ATOM 646 N GLN A 37 -2.362 -2.653 -11.862 1.00 0.67 N ATOM 647 CA GLN A 37 -1.395 -3.335 -12.635 1.00 0.80 C ATOM 648 C GLN A 37 -0.541 -4.212 -11.836 1.00 0.75 C ATOM 649 O GLN A 37 -0.256 -5.348 -12.274 1.00 0.86 O ATOM 650 CB GLN A 37 -0.507 -2.304 -13.332 1.00 0.92 C ATOM 651 CG GLN A 37 0.520 -3.031 -14.203 1.00 1.09 C ATOM 652 CD GLN A 37 1.385 -2.055 -14.858 1.00 2.00 C ATOM 653 OE1 GLN A 37 2.119 -1.308 -14.175 1.00 2.72 O ATOM 654 NE2 GLN A 37 1.400 -1.967 -16.196 1.00 2.66 N ATOM 0 H GLN A 37 -2.399 -1.648 -12.030 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.933 -3.959 -13.349 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -1.115 -1.638 -13.945 1.00 0.92 H new ATOM 0 HB3 GLN A 37 -0.000 -1.684 -12.593 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.116 -3.708 -13.591 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.012 -3.641 -14.950 1.00 1.09 H new ATOM 0 HE21 GLN A 37 0.802 -2.576 -16.754 1.00 2.66 H new ATOM 0 HE22 GLN A 37 2.010 -1.291 -16.656 1.00 2.66 H new ATOM 663 N ARG A 38 -0.041 -3.817 -10.657 1.00 0.65 N ATOM 664 CA ARG A 38 0.802 -4.692 -9.942 1.00 0.68 C ATOM 665 C ARG A 38 0.134 -5.182 -8.738 1.00 0.59 C ATOM 666 O ARG A 38 0.714 -6.021 -8.015 1.00 0.65 O ATOM 667 CB ARG A 38 2.104 -3.977 -9.583 1.00 0.74 C ATOM 668 CG ARG A 38 1.813 -2.765 -8.697 1.00 1.20 C ATOM 669 CD ARG A 38 3.141 -2.090 -8.350 1.00 1.55 C ATOM 670 NE ARG A 38 4.018 -3.056 -7.817 1.00 1.76 N ATOM 671 CZ ARG A 38 5.279 -2.725 -7.506 1.00 2.41 C ATOM 672 NH1 ARG A 38 5.706 -1.468 -7.689 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.114 -3.654 -7.020 1.00 3.06 N ATOM 0 H ARG A 38 -0.218 -2.915 -10.214 1.00 0.65 H new ATOM 0 HA ARG A 38 1.034 -5.551 -10.571 1.00 0.68 H new ATOM 0 HB2 ARG A 38 2.774 -4.663 -9.065 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.615 -3.658 -10.492 1.00 0.74 H new ATOM 0 HG2 ARG A 38 1.156 -2.066 -9.215 1.00 1.20 H new ATOM 0 HG3 ARG A 38 1.296 -3.075 -7.789 1.00 1.20 H new ATOM 0 HD2 ARG A 38 3.577 -1.635 -9.240 1.00 1.55 H new ATOM 0 HD3 ARG A 38 2.980 -1.289 -7.629 1.00 1.55 H new ATOM 0 HE ARG A 38 3.692 -4.011 -7.667 1.00 1.76 H new ATOM 0 HH11 ARG A 38 5.071 -0.763 -8.065 1.00 2.88 H new ATOM 0 HH12 ARG A 38 6.666 -1.216 -7.452 1.00 2.88 H new ATOM 0 HH21 ARG A 38 5.790 -4.612 -6.887 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.074 -3.403 -6.783 1.00 3.06 H new ATOM 687 N LEU A 39 -1.086 -4.731 -8.412 1.00 0.55 N ATOM 688 CA LEU A 39 -1.762 -5.227 -7.277 1.00 0.47 C ATOM 689 C LEU A 39 -2.263 -6.563 -7.585 1.00 0.51 C ATOM 690 O LEU A 39 -2.003 -7.521 -6.825 1.00 0.53 O ATOM 691 CB LEU A 39 -2.919 -4.292 -6.933 1.00 0.36 C ATOM 692 CG LEU A 39 -3.606 -4.756 -5.648 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.601 -4.758 -4.497 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.729 -3.782 -5.299 1.00 0.24 C ATOM 0 H LEU A 39 -1.598 -4.023 -8.939 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.089 -5.280 -6.422 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.550 -3.274 -6.810 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.638 -4.273 -7.752 1.00 0.36 H new ATOM 0 HG LEU A 39 -4.003 -5.760 -5.799 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -3.095 -5.089 -3.583 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.780 -5.436 -4.732 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.210 -3.751 -4.353 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -5.222 -4.108 -4.383 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -4.313 -2.785 -5.152 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.454 -3.756 -6.112 1.00 0.24 H new ATOM 706 N GLY A 40 -2.982 -6.758 -8.701 1.00 0.56 N ATOM 707 CA GLY A 40 -3.408 -8.056 -9.052 1.00 0.64 C ATOM 708 C GLY A 40 -4.828 -8.090 -9.397 1.00 0.60 C ATOM 709 O GLY A 40 -5.287 -9.111 -9.951 1.00 0.69 O ATOM 0 H GLY A 40 -3.262 -6.021 -9.348 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -2.821 -8.414 -9.897 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.220 -8.737 -8.222 1.00 0.64 H new ATOM 713 N LEU A 41 -5.643 -7.057 -9.142 1.00 0.54 N ATOM 714 CA LEU A 41 -6.996 -7.130 -9.542 1.00 0.54 C ATOM 715 C LEU A 41 -7.328 -5.960 -10.354 1.00 0.50 C ATOM 716 O LEU A 41 -6.480 -5.053 -10.495 1.00 0.59 O ATOM 717 CB LEU A 41 -7.939 -7.282 -8.344 1.00 0.56 C ATOM 718 CG LEU A 41 -7.594 -6.316 -7.209 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.412 -6.865 -6.409 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.237 -4.947 -7.785 1.00 1.25 C ATOM 0 H LEU A 41 -5.369 -6.195 -8.671 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.133 -8.025 -10.148 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -8.965 -7.108 -8.667 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -7.891 -8.306 -7.974 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.457 -6.212 -6.551 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -6.168 -6.175 -5.601 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.676 -7.836 -5.990 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.549 -6.975 -7.065 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -6.992 -4.263 -6.972 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.378 -5.044 -8.449 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -8.086 -4.555 -8.345 1.00 1.25 H new ATOM 732 N ASN A 42 -8.502 -5.905 -11.005 1.00 0.51 N ATOM 733 CA ASN A 42 -8.803 -4.840 -11.886 1.00 0.53 C ATOM 734 C ASN A 42 -9.126 -3.580 -11.219 1.00 0.43 C ATOM 735 O ASN A 42 -9.261 -3.504 -9.979 1.00 0.38 O ATOM 736 CB ASN A 42 -10.008 -5.238 -12.741 1.00 0.66 C ATOM 737 CG ASN A 42 -9.626 -6.304 -13.663 1.00 0.81 C ATOM 738 OD1 ASN A 42 -9.082 -7.343 -13.231 1.00 1.11 O ATOM 739 ND2 ASN A 42 -9.841 -6.159 -14.978 1.00 1.45 N ATOM 0 H ASN A 42 -9.240 -6.604 -10.916 1.00 0.51 H new ATOM 0 HA ASN A 42 -7.902 -4.669 -12.475 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -10.825 -5.572 -12.102 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.372 -4.375 -13.298 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -9.561 -6.896 -15.625 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -10.285 -5.312 -15.332 1.00 1.45 H new ATOM 746 N GLU A 43 -9.342 -2.504 -11.992 1.00 0.47 N ATOM 747 CA GLU A 43 -9.663 -1.243 -11.445 1.00 0.45 C ATOM 748 C GLU A 43 -10.948 -1.310 -10.757 1.00 0.40 C ATOM 749 O GLU A 43 -11.159 -0.581 -9.765 1.00 0.38 O ATOM 750 CB GLU A 43 -9.765 -0.234 -12.590 1.00 0.57 C ATOM 751 CG GLU A 43 -8.401 -0.096 -13.269 1.00 0.68 C ATOM 752 CD GLU A 43 -8.509 0.828 -14.393 1.00 0.88 C ATOM 753 OE1 GLU A 43 -8.898 2.001 -14.207 1.00 1.78 O ATOM 754 OE2 GLU A 43 -8.213 0.445 -15.546 1.00 1.31 O ATOM 0 H GLU A 43 -9.291 -2.518 -13.011 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.893 -0.944 -10.734 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.512 -0.562 -13.313 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -10.093 0.733 -12.209 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -7.662 0.268 -12.555 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -8.056 -1.070 -13.617 1.00 0.68 H new ATOM 761 N GLU A 44 -11.884 -2.169 -11.185 1.00 0.46 N ATOM 762 CA GLU A 44 -13.122 -2.302 -10.524 1.00 0.46 C ATOM 763 C GLU A 44 -12.915 -2.716 -9.138 1.00 0.40 C ATOM 764 O GLU A 44 -13.608 -2.219 -8.224 1.00 0.43 O ATOM 765 CB GLU A 44 -13.945 -3.371 -11.243 1.00 0.60 C ATOM 766 CG GLU A 44 -15.295 -3.529 -10.541 1.00 1.05 C ATOM 767 CD GLU A 44 -16.118 -4.488 -11.271 1.00 1.48 C ATOM 768 OE1 GLU A 44 -15.714 -5.659 -11.439 1.00 2.31 O ATOM 769 OE2 GLU A 44 -17.225 -4.136 -11.734 1.00 1.78 O ATOM 0 H GLU A 44 -11.773 -2.774 -11.999 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.641 -1.344 -10.534 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -14.095 -3.090 -12.285 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -13.409 -4.320 -11.243 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -15.146 -3.869 -9.516 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -15.803 -2.566 -10.487 1.00 1.05 H new ATOM 776 N GLN A 45 -11.975 -3.622 -8.833 1.00 0.40 N ATOM 777 CA GLN A 45 -11.810 -4.039 -7.497 1.00 0.41 C ATOM 778 C GLN A 45 -11.129 -3.005 -6.715 1.00 0.34 C ATOM 779 O GLN A 45 -11.113 -3.088 -5.467 1.00 0.41 O ATOM 780 CB GLN A 45 -10.994 -5.331 -7.488 1.00 0.51 C ATOM 781 CG GLN A 45 -11.732 -6.407 -8.289 1.00 0.60 C ATOM 782 CD GLN A 45 -13.031 -6.678 -7.680 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.080 -6.469 -8.326 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.099 -7.155 -6.430 1.00 0.97 N ATOM 0 H GLN A 45 -11.342 -4.055 -9.506 1.00 0.40 H new ATOM 0 HA GLN A 45 -12.787 -4.212 -7.045 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.008 -5.154 -7.919 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -10.838 -5.668 -6.463 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -11.866 -6.078 -9.319 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.138 -7.320 -8.321 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.243 -7.326 -5.902 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.007 -7.347 -6.006 1.00 0.97 H new ATOM 793 N ILE A 46 -10.544 -1.962 -7.323 1.00 0.28 N ATOM 794 CA ILE A 46 -9.972 -0.920 -6.566 1.00 0.30 C ATOM 795 C ILE A 46 -11.075 -0.082 -6.113 1.00 0.39 C ATOM 796 O ILE A 46 -11.132 0.311 -4.929 1.00 0.52 O ATOM 797 CB ILE A 46 -9.048 -0.060 -7.436 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.900 -0.897 -8.002 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.466 1.074 -6.589 1.00 0.45 C ATOM 800 CD1 ILE A 46 -7.039 -1.435 -6.860 1.00 0.38 C ATOM 0 H ILE A 46 -10.472 -1.849 -8.334 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.390 -1.332 -5.741 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.630 0.345 -8.264 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.297 -1.724 -8.591 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.292 -0.290 -8.673 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.808 1.687 -7.205 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -9.277 1.690 -6.199 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.898 0.654 -5.759 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.223 -2.030 -7.269 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.629 -0.602 -6.289 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.650 -2.057 -6.206 1.00 0.38 H new ATOM 812 N GLU A 47 -12.029 0.243 -6.997 1.00 0.38 N ATOM 813 CA GLU A 47 -13.128 1.049 -6.638 1.00 0.47 C ATOM 814 C GLU A 47 -13.954 0.394 -5.627 1.00 0.51 C ATOM 815 O GLU A 47 -14.492 1.089 -4.740 1.00 0.61 O ATOM 816 CB GLU A 47 -13.986 1.260 -7.886 1.00 0.50 C ATOM 817 CG GLU A 47 -13.198 2.066 -8.918 1.00 0.52 C ATOM 818 CD GLU A 47 -14.001 2.201 -10.129 1.00 0.56 C ATOM 819 OE1 GLU A 47 -15.127 2.742 -10.076 1.00 1.21 O ATOM 820 OE2 GLU A 47 -13.568 1.767 -11.219 1.00 1.11 O ATOM 0 H GLU A 47 -12.030 -0.061 -7.971 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.758 1.991 -6.234 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -14.277 0.298 -8.306 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.905 1.785 -7.624 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.951 3.050 -8.519 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -12.255 1.568 -9.145 1.00 0.52 H new ATOM 827 N ARG A 48 -14.116 -0.938 -5.630 1.00 0.47 N ATOM 828 CA ARG A 48 -14.944 -1.558 -4.670 1.00 0.55 C ATOM 829 C ARG A 48 -14.345 -1.555 -3.339 1.00 0.60 C ATOM 830 O ARG A 48 -15.058 -1.218 -2.370 1.00 0.68 O ATOM 831 CB ARG A 48 -15.171 -3.014 -5.082 1.00 0.56 C ATOM 832 CG ARG A 48 -16.527 -3.156 -5.776 1.00 0.63 C ATOM 833 CD ARG A 48 -16.606 -2.274 -7.023 1.00 0.60 C ATOM 834 NE ARG A 48 -17.856 -2.478 -7.641 1.00 0.71 N ATOM 835 CZ ARG A 48 -18.205 -1.760 -8.717 1.00 0.80 C ATOM 836 NH1 ARG A 48 -17.374 -0.828 -9.202 1.00 0.80 N ATOM 837 NH2 ARG A 48 -19.390 -1.973 -9.304 1.00 0.94 N ATOM 0 H ARG A 48 -13.675 -1.574 -6.294 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.878 -0.997 -4.629 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.375 -3.340 -5.751 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -15.133 -3.659 -4.204 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.689 -4.198 -6.053 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.323 -2.883 -5.083 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.485 -1.225 -6.752 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.799 -2.521 -7.712 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.499 -3.176 -7.267 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -16.473 -0.664 -8.752 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.642 -0.283 -10.021 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -20.024 -2.680 -8.932 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.659 -1.428 -10.123 1.00 0.94 H new ATOM 851 N TRP A 49 -13.066 -1.887 -3.121 1.00 0.56 N ATOM 852 CA TRP A 49 -12.583 -1.858 -1.794 1.00 0.64 C ATOM 853 C TRP A 49 -12.389 -0.487 -1.330 1.00 0.69 C ATOM 854 O TRP A 49 -12.721 -0.189 -0.163 1.00 0.81 O ATOM 855 CB TRP A 49 -11.272 -2.633 -1.671 1.00 0.75 C ATOM 856 CG TRP A 49 -10.818 -2.523 -0.288 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.595 -2.034 0.161 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.549 -2.833 0.848 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.584 -2.056 1.505 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.762 -2.529 1.938 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.833 -3.334 0.989 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -11.225 -2.711 3.232 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -13.309 -3.523 2.285 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.514 -3.215 3.392 1.00 3.63 C ATOM 0 H TRP A 49 -12.393 -2.164 -3.836 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.336 -2.335 -1.166 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.419 -3.678 -1.943 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.523 -2.228 -2.352 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.786 -1.692 -0.468 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.808 -1.762 2.098 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.441 -3.569 0.128 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.609 -2.471 4.086 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -14.305 -3.912 2.436 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -12.905 -3.370 4.387 1.00 3.63 H new ATOM 875 N PHE A 50 -11.844 0.431 -2.140 1.00 0.65 N ATOM 876 CA PHE A 50 -11.617 1.765 -1.727 1.00 0.72 C ATOM 877 C PHE A 50 -12.870 2.401 -1.302 1.00 0.78 C ATOM 878 O PHE A 50 -12.926 3.008 -0.210 1.00 0.89 O ATOM 879 CB PHE A 50 -11.044 2.518 -2.931 1.00 0.72 C ATOM 880 CG PHE A 50 -10.607 3.864 -2.570 1.00 0.86 C ATOM 881 CD1 PHE A 50 -11.525 4.900 -2.442 1.00 1.33 C ATOM 882 CD2 PHE A 50 -9.248 4.118 -2.421 1.00 1.66 C ATOM 883 CE1 PHE A 50 -11.082 6.185 -2.148 1.00 1.54 C ATOM 884 CE2 PHE A 50 -8.805 5.403 -2.132 1.00 2.06 C ATOM 885 CZ PHE A 50 -9.723 6.437 -1.993 1.00 1.68 C ATOM 0 H PHE A 50 -11.557 0.238 -3.100 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.930 1.784 -0.881 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.202 1.960 -3.342 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.799 2.579 -3.715 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -12.580 4.707 -2.571 1.00 1.33 H new ATOM 0 HD2 PHE A 50 -8.535 3.314 -2.530 1.00 1.66 H new ATOM 0 HE1 PHE A 50 -11.795 6.989 -2.040 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -7.749 5.598 -2.016 1.00 2.06 H new ATOM 0 HZ PHE A 50 -9.381 7.436 -1.765 1.00 1.68 H new ATOM 895 N ARG A 51 -13.947 2.350 -2.101 1.00 0.74 N ATOM 896 CA ARG A 51 -15.183 2.938 -1.739 1.00 0.81 C ATOM 897 C ARG A 51 -15.790 2.269 -0.589 1.00 0.87 C ATOM 898 O ARG A 51 -16.275 2.959 0.334 1.00 0.99 O ATOM 899 CB ARG A 51 -16.114 2.859 -2.951 1.00 0.79 C ATOM 900 CG ARG A 51 -17.503 3.412 -2.624 1.00 0.78 C ATOM 901 CD ARG A 51 -18.429 2.238 -2.304 1.00 1.14 C ATOM 902 NE ARG A 51 -18.492 1.408 -3.442 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.002 0.172 -3.361 1.00 1.92 C ATOM 904 NH1 ARG A 51 -19.443 -0.302 -2.188 1.00 2.21 N ATOM 905 NH2 ARG A 51 -19.063 -0.592 -4.461 1.00 2.45 N ATOM 0 H ARG A 51 -13.954 1.892 -3.012 1.00 0.74 H new ATOM 0 HA ARG A 51 -15.014 3.974 -1.446 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -15.683 3.420 -3.780 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -16.201 1.823 -3.278 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -17.449 4.094 -1.776 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -17.892 3.982 -3.467 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -18.054 1.680 -1.446 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -19.423 2.598 -2.040 1.00 1.14 H new ATOM 0 HE ARG A 51 -18.145 1.753 -4.337 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -19.391 0.279 -1.351 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -19.830 -1.244 -2.132 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -18.722 -0.231 -5.352 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -19.450 -1.534 -4.407 1.00 2.45 H new ATOM 919 N ARG A 52 -15.811 0.930 -0.513 1.00 0.83 N ATOM 920 CA ARG A 52 -16.397 0.256 0.585 1.00 0.98 C ATOM 921 C ARG A 52 -15.764 0.653 1.838 1.00 1.11 C ATOM 922 O ARG A 52 -16.452 0.817 2.869 1.00 1.27 O ATOM 923 CB ARG A 52 -16.182 -1.247 0.400 1.00 1.02 C ATOM 924 CG ARG A 52 -16.683 -1.987 1.641 1.00 1.24 C ATOM 925 CD ARG A 52 -18.189 -1.771 1.799 1.00 1.32 C ATOM 926 NE ARG A 52 -18.621 -2.401 2.983 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.075 -3.661 2.944 1.00 2.26 C ATOM 928 NH1 ARG A 52 -19.132 -4.315 1.776 1.00 2.17 N ATOM 929 NH2 ARG A 52 -19.468 -4.265 4.073 1.00 3.08 N ATOM 0 H ARG A 52 -15.416 0.314 -1.223 1.00 0.83 H new ATOM 0 HA ARG A 52 -17.457 0.507 0.626 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -16.714 -1.596 -0.485 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -15.125 -1.457 0.239 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.466 -3.052 1.553 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.160 -1.627 2.527 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.415 -0.705 1.836 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -18.720 -2.180 0.940 1.00 1.32 H new ATOM 0 HE ARG A 52 -18.588 -1.898 3.870 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -18.830 -3.854 0.918 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -19.477 -5.274 1.745 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.422 -3.766 4.961 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -19.814 -5.224 4.045 1.00 3.08 H new ATOM 943 N LYS A 53 -14.437 0.828 1.865 1.00 1.08 N ATOM 944 CA LYS A 53 -13.727 1.173 3.034 1.00 1.25 C ATOM 945 C LYS A 53 -14.193 2.434 3.629 1.00 1.35 C ATOM 946 O LYS A 53 -13.841 2.712 4.795 1.00 1.57 O ATOM 947 CB LYS A 53 -12.257 1.226 2.611 1.00 1.20 C ATOM 948 CG LYS A 53 -11.280 1.307 3.783 1.00 1.31 C ATOM 949 CD LYS A 53 -9.892 1.101 3.173 1.00 1.89 C ATOM 950 CE LYS A 53 -8.825 0.818 4.231 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.536 2.028 4.991 1.00 2.62 N ATOM 0 H LYS A 53 -13.844 0.724 1.042 1.00 1.08 H new ATOM 0 HA LYS A 53 -13.885 0.441 3.826 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -12.027 0.340 2.019 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -12.106 2.090 1.964 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.349 2.272 4.285 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -11.498 0.543 4.529 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -9.928 0.271 2.467 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -9.612 1.989 2.607 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -9.168 0.031 4.903 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -7.916 0.454 3.753 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -7.547 2.008 5.313 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -8.686 2.861 4.387 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -9.168 2.079 5.815 1.00 2.62 H new ATOM 965 N GLU A 54 -14.964 3.306 2.956 1.00 1.24 N ATOM 966 CA GLU A 54 -15.426 4.489 3.579 1.00 1.34 C ATOM 967 C GLU A 54 -16.873 4.438 3.783 1.00 1.32 C ATOM 968 O GLU A 54 -17.449 5.391 4.353 1.00 1.39 O ATOM 969 CB GLU A 54 -15.174 5.695 2.674 1.00 1.34 C ATOM 970 CG GLU A 54 -13.681 5.921 2.456 1.00 1.18 C ATOM 971 CD GLU A 54 -13.512 7.176 1.728 1.00 1.29 C ATOM 972 OE1 GLU A 54 -13.882 8.250 2.248 1.00 1.61 O ATOM 973 OE2 GLU A 54 -12.992 7.182 0.592 1.00 1.87 O ATOM 0 H GLU A 54 -15.261 3.186 1.988 1.00 1.24 H new ATOM 0 HA GLU A 54 -14.897 4.576 4.528 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -15.665 5.540 1.713 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -15.618 6.586 3.119 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -13.159 5.963 3.412 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -13.249 5.094 1.893 1.00 1.18 H new ATOM 980 N GLN A 55 -17.587 3.384 3.362 1.00 1.23 N ATOM 981 CA GLN A 55 -18.993 3.393 3.479 1.00 1.27 C ATOM 982 C GLN A 55 -19.425 2.707 4.688 1.00 1.33 C ATOM 983 O GLN A 55 -20.640 2.670 4.977 1.00 1.41 O ATOM 984 CB GLN A 55 -19.617 2.730 2.250 1.00 1.22 C ATOM 985 CG GLN A 55 -19.444 3.658 1.048 1.00 1.34 C ATOM 986 CD GLN A 55 -20.480 4.685 1.092 1.00 2.13 C ATOM 987 OE1 GLN A 55 -21.322 4.764 0.171 1.00 2.59 O ATOM 988 NE2 GLN A 55 -20.546 5.526 2.133 1.00 2.88 N ATOM 0 H GLN A 55 -17.191 2.540 2.947 1.00 1.23 H new ATOM 0 HA GLN A 55 -19.325 4.429 3.543 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -19.140 1.769 2.057 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -20.675 2.532 2.424 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -18.456 4.118 1.066 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -19.515 3.090 0.120 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -19.859 5.462 2.885 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -21.283 6.230 2.174 1.00 2.88 H new ATOM 997 N GLN A 56 -18.529 2.132 5.499 1.00 1.34 N ATOM 998 CA GLN A 56 -18.965 1.552 6.705 1.00 1.42 C ATOM 999 C GLN A 56 -19.191 2.613 7.685 1.00 1.54 C ATOM 1000 O GLN A 56 -19.795 2.357 8.749 1.00 1.59 O ATOM 1001 CB GLN A 56 -17.912 0.568 7.219 1.00 1.47 C ATOM 1002 CG GLN A 56 -18.409 -0.101 8.501 1.00 1.66 C ATOM 1003 CD GLN A 56 -19.529 -0.987 8.194 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -20.559 -0.532 7.651 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -19.447 -2.293 8.483 1.00 2.10 N ATOM 0 H GLN A 56 -17.527 2.073 5.319 1.00 1.34 H new ATOM 0 HA GLN A 56 -19.894 1.007 6.540 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -17.706 -0.187 6.460 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -16.975 1.091 7.411 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -17.601 -0.668 8.963 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -18.719 0.656 9.221 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -18.607 -2.666 8.926 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -20.224 -2.914 8.260 1.00 2.10 H new ATOM 1014 N ILE A 57 -18.719 3.849 7.461 1.00 1.64 N ATOM 1015 CA ILE A 57 -18.891 4.858 8.430 1.00 1.81 C ATOM 1016 C ILE A 57 -19.519 6.062 7.887 1.00 1.89 C ATOM 1017 O ILE A 57 -20.443 6.602 8.535 1.00 2.07 O ATOM 1018 CB ILE A 57 -17.519 5.212 9.009 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -17.683 6.249 10.122 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -16.601 5.772 7.922 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -18.458 5.626 11.285 1.00 2.66 C ATOM 0 H ILE A 57 -18.225 4.139 6.617 1.00 1.64 H new ATOM 0 HA ILE A 57 -19.559 4.474 9.201 1.00 1.81 H new ATOM 0 HB ILE A 57 -17.069 4.305 9.413 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -16.706 6.591 10.463 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -18.213 7.124 9.744 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -15.631 6.017 8.355 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -16.470 5.027 7.137 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -17.046 6.672 7.498 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -18.576 6.363 12.080 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -19.440 5.306 10.938 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -17.910 4.765 11.667 1.00 2.66 H new ATOM 1033 N GLY A 58 -19.125 6.615 6.730 1.00 1.79 N ATOM 1034 CA GLY A 58 -19.695 7.846 6.347 1.00 1.90 C ATOM 1035 C GLY A 58 -18.674 8.706 5.750 1.00 1.88 C ATOM 1036 O GLY A 58 -18.813 9.946 5.826 1.00 1.99 O ATOM 0 H GLY A 58 -18.438 6.222 6.087 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -20.502 7.676 5.634 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -20.135 8.338 7.215 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.582 8.168 5.182 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.540 8.941 4.612 1.00 1.74 C ATOM 1042 C TRP A 59 -15.771 9.707 5.598 1.00 1.84 C ATOM 1043 O TRP A 59 -14.919 10.518 5.177 1.00 1.91 O ATOM 1044 CB TRP A 59 -17.073 9.930 3.565 1.00 1.80 C ATOM 1045 CG TRP A 59 -17.710 9.241 2.443 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -17.077 8.538 1.423 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -19.060 9.242 2.124 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -18.000 8.119 0.539 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -19.206 8.542 0.945 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -20.146 9.815 2.769 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -20.450 8.376 0.354 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -21.402 9.650 2.188 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -21.552 8.939 0.995 1.00 3.69 C ATOM 0 H TRP A 59 -17.425 7.162 5.120 1.00 1.76 H new ATOM 0 HA TRP A 59 -15.881 8.207 4.148 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -17.791 10.603 4.033 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -16.253 10.546 3.195 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -16.015 8.358 1.352 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -17.814 7.571 -0.301 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -20.023 10.369 3.688 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -20.561 7.829 -0.571 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -22.271 10.077 2.666 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -22.535 8.824 0.563 1.00 3.69 H new ATOM 1064 N SER A 60 -15.921 9.564 6.925 1.00 1.88 N ATOM 1065 CA SER A 60 -15.131 10.350 7.795 1.00 1.98 C ATOM 1066 C SER A 60 -14.135 9.534 8.489 1.00 1.92 C ATOM 1067 O SER A 60 -13.255 10.086 9.185 1.00 1.98 O ATOM 1068 CB SER A 60 -16.027 11.044 8.822 1.00 2.09 C ATOM 1069 OG SER A 60 -16.695 10.067 9.605 1.00 2.15 O ATOM 0 H SER A 60 -16.571 8.922 7.378 1.00 1.88 H new ATOM 0 HA SER A 60 -14.608 11.095 7.196 1.00 1.98 H new ATOM 0 HB2 SER A 60 -15.429 11.692 9.463 1.00 2.09 H new ATOM 0 HB3 SER A 60 -16.754 11.679 8.316 1.00 2.09 H new ATOM 0 HG SER A 60 -17.268 10.512 10.264 1.00 2.15 H new ATOM 1075 N HIS A 61 -14.163 8.198 8.392 1.00 1.87 N ATOM 1076 CA HIS A 61 -13.197 7.402 9.047 1.00 1.91 C ATOM 1077 C HIS A 61 -12.928 6.222 8.233 1.00 1.97 C ATOM 1078 O HIS A 61 -13.504 5.152 8.524 1.00 2.60 O ATOM 1079 CB HIS A 61 -13.740 6.936 10.398 1.00 2.74 C ATOM 1080 CG HIS A 61 -12.695 6.195 11.100 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -12.695 4.883 11.367 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -11.507 6.716 11.594 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -11.557 4.584 12.012 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -10.832 5.703 12.154 1.00 4.06 N ATOM 0 H HIS A 61 -14.857 7.675 7.858 1.00 1.87 H new ATOM 0 HA HIS A 61 -12.289 7.987 9.194 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -14.058 7.793 10.992 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -14.617 6.305 10.254 1.00 2.74 H new ATOM 0 HD2 HIS A 61 -11.187 7.746 11.538 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -11.272 3.602 12.360 1.00 4.69 H new ATOM 0 HE2 HIS A 61 -9.922 5.771 12.610 1.00 4.06 H new ATOM 1093 N PRO A 62 -12.094 6.259 7.183 1.00 1.93 N ATOM 1094 CA PRO A 62 -11.908 5.153 6.317 1.00 2.45 C ATOM 1095 C PRO A 62 -11.211 4.031 6.874 1.00 2.07 C ATOM 1096 O PRO A 62 -10.156 3.707 6.359 1.00 2.31 O ATOM 1097 CB PRO A 62 -11.026 5.725 5.203 1.00 3.15 C ATOM 1098 CG PRO A 62 -11.293 7.228 5.256 1.00 2.98 C ATOM 1099 CD PRO A 62 -11.458 7.459 6.755 1.00 2.10 C ATOM 0 HA PRO A 62 -12.885 4.763 6.031 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -9.973 5.500 5.372 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -11.289 5.307 4.231 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -10.467 7.806 4.841 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -12.187 7.505 4.698 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -10.499 7.609 7.251 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -12.067 8.338 6.966 1.00 2.10 H new ATOM 1107 N GLN A 63 -11.699 3.377 7.903 1.00 1.69 N ATOM 1108 CA GLN A 63 -11.137 2.187 8.427 1.00 1.52 C ATOM 1109 C GLN A 63 -9.678 2.167 8.422 1.00 1.57 C ATOM 1110 O GLN A 63 -9.077 1.371 7.667 1.00 1.92 O ATOM 1111 CB GLN A 63 -11.631 1.008 7.590 1.00 1.70 C ATOM 1112 CG GLN A 63 -13.149 0.879 7.722 1.00 2.04 C ATOM 1113 CD GLN A 63 -13.611 -0.290 6.977 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -14.833 -0.546 6.915 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -12.733 -1.098 6.368 1.00 2.72 N ATOM 0 H GLN A 63 -12.531 3.684 8.406 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.453 2.125 9.468 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -11.359 1.153 6.545 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -11.149 0.088 7.920 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -13.426 0.786 8.772 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -13.634 1.779 7.343 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -11.735 -0.894 6.415 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -13.063 -1.917 5.857 1.00 2.72 H new ATOM 1124 N PHE A 64 -8.971 2.911 9.282 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.561 2.852 9.252 1.00 1.64 C ATOM 1126 C PHE A 64 -7.063 1.596 9.817 1.00 1.92 C ATOM 1127 O PHE A 64 -5.836 1.358 9.781 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.995 4.034 10.037 1.00 1.89 C ATOM 1129 CG PHE A 64 -7.327 5.267 9.328 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -6.810 5.501 8.059 1.00 3.61 C ATOM 1131 CD2 PHE A 64 -8.177 6.198 9.913 1.00 3.73 C ATOM 1132 CE1 PHE A 64 -7.133 6.671 7.381 1.00 4.84 C ATOM 1133 CE2 PHE A 64 -8.500 7.368 9.237 1.00 4.94 C ATOM 1134 CZ PHE A 64 -7.974 7.606 7.973 1.00 5.47 C ATOM 0 H PHE A 64 -9.369 3.538 9.981 1.00 1.51 H new ATOM 0 HA PHE A 64 -7.236 2.899 8.213 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -7.411 4.053 11.044 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.914 3.937 10.141 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -6.157 4.774 7.600 1.00 3.61 H new ATOM 0 HD2 PHE A 64 -8.587 6.012 10.895 1.00 3.73 H new ATOM 0 HE1 PHE A 64 -6.731 6.853 6.395 1.00 4.84 H new ATOM 0 HE2 PHE A 64 -9.159 8.092 9.693 1.00 4.94 H new ATOM 0 HZ PHE A 64 -8.219 8.519 7.450 1.00 5.47 H new ATOM 1202 N GLU B 2 6.736 -14.420 -3.806 1.00 2.53 N ATOM 1203 CA GLU B 2 5.579 -13.618 -3.894 1.00 2.22 C ATOM 1204 C GLU B 2 4.699 -13.861 -2.752 1.00 1.85 C ATOM 1205 O GLU B 2 3.669 -13.168 -2.613 1.00 1.99 O ATOM 1206 CB GLU B 2 4.869 -13.875 -5.226 1.00 2.48 C ATOM 1207 CG GLU B 2 5.084 -15.318 -5.694 1.00 2.85 C ATOM 1208 CD GLU B 2 4.206 -16.236 -4.980 1.00 3.41 C ATOM 1209 OE1 GLU B 2 2.967 -16.071 -5.012 1.00 3.75 O ATOM 1210 OE2 GLU B 2 4.695 -17.205 -4.361 1.00 3.99 O ATOM 0 HA GLU B 2 5.865 -12.567 -3.863 1.00 2.22 H new ATOM 0 HB2 GLU B 2 3.802 -13.679 -5.117 1.00 2.48 H new ATOM 0 HB3 GLU B 2 5.244 -13.184 -5.981 1.00 2.48 H new ATOM 0 HG2 GLU B 2 4.895 -15.388 -6.765 1.00 2.85 H new ATOM 0 HG3 GLU B 2 6.123 -15.605 -5.534 1.00 2.85 H new ATOM 1217 N LYS B 3 4.994 -14.804 -1.845 1.00 1.85 N ATOM 1218 CA LYS B 3 4.186 -14.981 -0.700 1.00 1.95 C ATOM 1219 C LYS B 3 4.961 -14.528 0.451 1.00 1.67 C ATOM 1220 O LYS B 3 6.053 -15.088 0.685 1.00 1.92 O ATOM 1221 CB LYS B 3 3.844 -16.461 -0.504 1.00 2.60 C ATOM 1222 CG LYS B 3 2.903 -16.981 -1.594 1.00 3.26 C ATOM 1223 CD LYS B 3 1.454 -16.620 -1.261 1.00 3.92 C ATOM 1224 CE LYS B 3 1.153 -15.177 -1.666 1.00 4.14 C ATOM 1225 NZ LYS B 3 1.076 -15.085 -3.123 1.00 4.84 N ATOM 0 H LYS B 3 5.790 -15.438 -1.910 1.00 1.85 H new ATOM 0 HA LYS B 3 3.258 -14.421 -0.812 1.00 1.95 H new ATOM 0 HB2 LYS B 3 4.762 -17.049 -0.507 1.00 2.60 H new ATOM 0 HB3 LYS B 3 3.380 -16.600 0.472 1.00 2.60 H new ATOM 0 HG2 LYS B 3 3.179 -16.553 -2.557 1.00 3.26 H new ATOM 0 HG3 LYS B 3 3.004 -18.062 -1.685 1.00 3.26 H new ATOM 0 HD2 LYS B 3 0.776 -17.298 -1.780 1.00 3.92 H new ATOM 0 HD3 LYS B 3 1.278 -16.748 -0.193 1.00 3.92 H new ATOM 0 HE2 LYS B 3 0.213 -14.852 -1.220 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.931 -14.513 -1.290 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 0.973 -14.089 -3.403 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 1.945 -15.474 -3.542 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 0.256 -15.627 -3.462 1.00 4.84 H new ATOM 1239 N ARG B 4 4.514 -13.531 1.232 1.00 1.50 N ATOM 1240 CA ARG B 4 5.261 -13.070 2.342 1.00 1.29 C ATOM 1241 C ARG B 4 5.594 -14.180 3.231 1.00 1.50 C ATOM 1242 O ARG B 4 4.674 -14.792 3.817 1.00 1.81 O ATOM 1243 CB ARG B 4 4.448 -12.009 3.085 1.00 1.45 C ATOM 1244 CG ARG B 4 5.292 -11.394 4.203 1.00 1.70 C ATOM 1245 CD ARG B 4 5.198 -12.258 5.463 1.00 2.72 C ATOM 1246 NE ARG B 4 3.873 -12.232 5.945 1.00 3.33 N ATOM 1247 CZ ARG B 4 3.288 -13.352 6.393 1.00 4.45 C ATOM 1248 NH1 ARG B 4 3.954 -14.515 6.392 1.00 5.09 N ATOM 1249 NH2 ARG B 4 2.029 -13.309 6.849 1.00 5.20 N ATOM 0 H ARG B 4 3.628 -13.046 1.087 1.00 1.50 H new ATOM 0 HA ARG B 4 6.195 -12.630 1.994 1.00 1.29 H new ATOM 0 HB2 ARG B 4 4.127 -11.232 2.391 1.00 1.45 H new ATOM 0 HB3 ARG B 4 3.546 -12.456 3.503 1.00 1.45 H new ATOM 0 HG2 ARG B 4 6.331 -11.313 3.884 1.00 1.70 H new ATOM 0 HG3 ARG B 4 4.945 -10.383 4.418 1.00 1.70 H new ATOM 0 HD2 ARG B 4 5.496 -13.282 5.239 1.00 2.72 H new ATOM 0 HD3 ARG B 4 5.882 -11.886 6.225 1.00 2.72 H new ATOM 0 HE ARG B 4 3.355 -11.353 5.953 1.00 3.33 H new ATOM 0 HH11 ARG B 4 4.914 -14.553 6.049 1.00 5.09 H new ATOM 0 HH12 ARG B 4 3.501 -15.362 6.735 1.00 5.09 H new ATOM 0 HH21 ARG B 4 1.518 -12.426 6.855 1.00 5.20 H new ATOM 0 HH22 ARG B 4 1.581 -14.159 7.191 1.00 5.20 H new ATOM 1263 N PRO B 5 6.871 -14.575 3.377 1.00 1.56 N ATOM 1264 CA PRO B 5 7.220 -15.701 4.156 1.00 1.84 C ATOM 1265 C PRO B 5 7.551 -15.369 5.515 1.00 1.57 C ATOM 1266 O PRO B 5 6.665 -15.233 6.343 1.00 1.86 O ATOM 1267 CB PRO B 5 8.474 -16.187 3.423 1.00 2.15 C ATOM 1268 CG PRO B 5 9.118 -14.897 2.910 1.00 2.06 C ATOM 1269 CD PRO B 5 7.942 -13.950 2.669 1.00 1.65 C ATOM 0 HA PRO B 5 6.407 -16.422 4.242 1.00 1.84 H new ATOM 0 HB2 PRO B 5 9.143 -16.730 4.091 1.00 2.15 H new ATOM 0 HB3 PRO B 5 8.223 -16.862 2.605 1.00 2.15 H new ATOM 0 HG2 PRO B 5 9.816 -14.485 3.639 1.00 2.06 H new ATOM 0 HG3 PRO B 5 9.681 -15.072 1.993 1.00 2.06 H new ATOM 0 HD2 PRO B 5 8.146 -12.949 3.049 1.00 1.65 H new ATOM 0 HD3 PRO B 5 7.718 -13.848 1.607 1.00 1.65 H new ATOM 1277 N ARG B 6 8.794 -15.192 5.894 1.00 1.20 N ATOM 1278 CA ARG B 6 9.100 -14.917 7.242 1.00 1.13 C ATOM 1279 C ARG B 6 9.317 -13.489 7.451 1.00 1.07 C ATOM 1280 O ARG B 6 10.469 -13.063 7.684 1.00 1.45 O ATOM 1281 CB ARG B 6 10.340 -15.719 7.636 1.00 1.21 C ATOM 1282 CG ARG B 6 10.016 -17.206 7.476 1.00 1.55 C ATOM 1283 CD ARG B 6 11.215 -18.061 7.891 1.00 1.87 C ATOM 1284 NE ARG B 6 10.890 -19.421 7.712 1.00 2.69 N ATOM 1285 CZ ARG B 6 11.809 -20.371 7.931 1.00 3.24 C ATOM 1286 NH1 ARG B 6 13.045 -20.031 8.324 1.00 3.20 N ATOM 1287 NH2 ARG B 6 11.490 -21.660 7.758 1.00 4.21 N ATOM 0 H ARG B 6 9.600 -15.237 5.271 1.00 1.20 H new ATOM 0 HA ARG B 6 8.259 -15.210 7.871 1.00 1.13 H new ATOM 0 HB2 ARG B 6 11.187 -15.444 7.007 1.00 1.21 H new ATOM 0 HB3 ARG B 6 10.624 -15.500 8.665 1.00 1.21 H new ATOM 0 HG2 ARG B 6 9.150 -17.463 8.085 1.00 1.55 H new ATOM 0 HG3 ARG B 6 9.752 -17.418 6.440 1.00 1.55 H new ATOM 0 HD2 ARG B 6 12.089 -17.800 7.293 1.00 1.87 H new ATOM 0 HD3 ARG B 6 11.472 -17.869 8.933 1.00 1.87 H new ATOM 0 HE ARG B 6 9.950 -19.683 7.414 1.00 2.69 H new ATOM 0 HH11 ARG B 6 13.286 -19.049 8.456 1.00 3.20 H new ATOM 0 HH12 ARG B 6 13.744 -20.755 8.491 1.00 3.20 H new ATOM 0 HH21 ARG B 6 10.549 -21.917 7.460 1.00 4.21 H new ATOM 0 HH22 ARG B 6 12.188 -22.385 7.924 1.00 4.21 H new ATOM 1301 N THR B 7 8.244 -12.684 7.433 1.00 0.98 N ATOM 1302 CA THR B 7 8.283 -11.289 7.671 1.00 0.87 C ATOM 1303 C THR B 7 9.449 -10.616 7.100 1.00 0.88 C ATOM 1304 O THR B 7 10.140 -9.856 7.814 1.00 0.89 O ATOM 1305 CB THR B 7 8.275 -11.058 9.183 1.00 0.86 C ATOM 1306 OG1 THR B 7 9.445 -11.615 9.763 1.00 0.94 O ATOM 1307 CG2 THR B 7 7.051 -11.751 9.782 1.00 0.90 C ATOM 0 H THR B 7 7.304 -13.030 7.242 1.00 0.98 H new ATOM 0 HA THR B 7 7.409 -10.861 7.180 1.00 0.87 H new ATOM 0 HB THR B 7 8.244 -9.987 9.385 1.00 0.86 H new ATOM 0 HG1 THR B 7 10.233 -11.128 9.443 1.00 0.94 H new ATOM 0 HG21 THR B 7 7.035 -11.593 10.860 1.00 0.90 H new ATOM 0 HG22 THR B 7 6.145 -11.335 9.341 1.00 0.90 H new ATOM 0 HG23 THR B 7 7.099 -12.820 9.573 1.00 0.90 H new ATOM 1315 N GLU B 8 9.760 -10.789 5.808 1.00 0.91 N ATOM 1316 CA GLU B 8 10.848 -10.100 5.233 1.00 0.98 C ATOM 1317 C GLU B 8 10.382 -9.353 4.068 1.00 0.96 C ATOM 1318 O GLU B 8 11.202 -9.108 3.158 1.00 1.30 O ATOM 1319 CB GLU B 8 11.938 -11.092 4.825 1.00 1.20 C ATOM 1320 CG GLU B 8 11.364 -12.132 3.864 1.00 1.29 C ATOM 1321 CD GLU B 8 12.423 -13.067 3.491 1.00 1.75 C ATOM 1322 OE1 GLU B 8 13.465 -12.643 2.947 1.00 2.26 O ATOM 1323 OE2 GLU B 8 12.297 -14.288 3.730 1.00 2.23 O ATOM 0 H GLU B 8 9.256 -11.405 5.170 1.00 0.91 H new ATOM 0 HA GLU B 8 11.267 -9.406 5.962 1.00 0.98 H new ATOM 0 HB2 GLU B 8 12.764 -10.563 4.350 1.00 1.20 H new ATOM 0 HB3 GLU B 8 12.342 -11.585 5.709 1.00 1.20 H new ATOM 0 HG2 GLU B 8 10.539 -12.666 4.335 1.00 1.29 H new ATOM 0 HG3 GLU B 8 10.962 -11.644 2.976 1.00 1.29 H new ATOM 1330 N PHE B 9 9.090 -8.980 4.016 1.00 0.75 N ATOM 1331 CA PHE B 9 8.445 -8.280 2.958 1.00 0.68 C ATOM 1332 C PHE B 9 8.605 -8.937 1.659 1.00 0.81 C ATOM 1333 O PHE B 9 9.730 -9.168 1.167 1.00 0.93 O ATOM 1334 CB PHE B 9 8.815 -6.790 2.861 1.00 0.55 C ATOM 1335 CG PHE B 9 10.194 -6.536 2.447 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.550 -6.660 1.109 1.00 0.87 C ATOM 1337 CD2 PHE B 9 11.157 -6.189 3.388 1.00 0.82 C ATOM 1338 CE1 PHE B 9 11.864 -6.436 0.714 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.472 -5.965 2.994 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.826 -6.090 1.656 1.00 0.72 C ATOM 0 H PHE B 9 8.448 -9.188 4.781 1.00 0.75 H new ATOM 0 HA PHE B 9 7.390 -8.317 3.230 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.141 -6.306 2.154 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.648 -6.323 3.831 1.00 0.55 H new ATOM 0 HD1 PHE B 9 9.805 -6.931 0.375 1.00 0.87 H new ATOM 0 HD2 PHE B 9 10.883 -6.093 4.428 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.138 -6.531 -0.326 1.00 0.92 H new ATOM 0 HE2 PHE B 9 13.217 -5.694 3.727 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.847 -5.919 1.348 1.00 0.72 H new ATOM 1350 N SER B 10 7.509 -9.248 0.951 1.00 0.92 N ATOM 1351 CA SER B 10 7.630 -9.896 -0.296 1.00 1.07 C ATOM 1352 C SER B 10 7.034 -9.075 -1.344 1.00 0.95 C ATOM 1353 O SER B 10 6.547 -7.967 -1.038 1.00 0.79 O ATOM 1354 CB SER B 10 6.918 -11.246 -0.234 1.00 1.27 C ATOM 1355 OG SER B 10 7.149 -11.959 -1.437 1.00 1.65 O ATOM 0 H SER B 10 6.552 -9.050 1.245 1.00 0.92 H new ATOM 0 HA SER B 10 8.685 -10.048 -0.523 1.00 1.07 H new ATOM 0 HB2 SER B 10 7.281 -11.822 0.618 1.00 1.27 H new ATOM 0 HB3 SER B 10 5.848 -11.098 -0.086 1.00 1.27 H new ATOM 0 HG SER B 10 8.082 -11.843 -1.712 1.00 1.65 H new ATOM 1361 N GLU B 11 7.013 -9.519 -2.610 1.00 1.08 N ATOM 1362 CA GLU B 11 6.520 -8.727 -3.673 1.00 1.08 C ATOM 1363 C GLU B 11 5.194 -8.163 -3.432 1.00 0.97 C ATOM 1364 O GLU B 11 5.018 -6.932 -3.572 1.00 0.94 O ATOM 1365 CB GLU B 11 6.458 -9.586 -4.935 1.00 1.26 C ATOM 1366 CG GLU B 11 5.911 -8.742 -6.090 1.00 1.21 C ATOM 1367 CD GLU B 11 6.723 -7.540 -6.256 1.00 1.81 C ATOM 1368 OE1 GLU B 11 7.955 -7.635 -6.448 1.00 2.60 O ATOM 1369 OE2 GLU B 11 6.179 -6.415 -6.222 1.00 2.29 O ATOM 0 H GLU B 11 7.344 -10.441 -2.893 1.00 1.08 H new ATOM 0 HA GLU B 11 7.205 -7.886 -3.777 1.00 1.08 H new ATOM 0 HB2 GLU B 11 7.450 -9.963 -5.182 1.00 1.26 H new ATOM 0 HB3 GLU B 11 5.820 -10.454 -4.768 1.00 1.26 H new ATOM 0 HG2 GLU B 11 5.916 -9.324 -7.011 1.00 1.21 H new ATOM 0 HG3 GLU B 11 4.875 -8.467 -5.892 1.00 1.21 H new ATOM 1376 N GLU B 12 4.151 -8.934 -3.095 1.00 0.93 N ATOM 1377 CA GLU B 12 2.878 -8.348 -2.917 1.00 0.82 C ATOM 1378 C GLU B 12 2.780 -7.524 -1.711 1.00 0.71 C ATOM 1379 O GLU B 12 1.709 -6.934 -1.453 1.00 0.70 O ATOM 1380 CB GLU B 12 1.769 -9.399 -2.988 1.00 0.86 C ATOM 1381 CG GLU B 12 1.895 -10.448 -1.886 1.00 1.17 C ATOM 1382 CD GLU B 12 0.886 -11.467 -2.159 1.00 2.12 C ATOM 1383 OE1 GLU B 12 1.034 -12.239 -3.131 1.00 2.73 O ATOM 1384 OE2 GLU B 12 -0.173 -11.502 -1.496 1.00 2.45 O ATOM 0 H GLU B 12 4.192 -9.943 -2.950 1.00 0.93 H new ATOM 0 HA GLU B 12 2.738 -7.659 -3.750 1.00 0.82 H new ATOM 0 HB2 GLU B 12 0.799 -8.907 -2.909 1.00 0.86 H new ATOM 0 HB3 GLU B 12 1.799 -9.891 -3.960 1.00 0.86 H new ATOM 0 HG2 GLU B 12 2.894 -10.884 -1.880 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.737 -10.000 -0.905 1.00 1.17 H new ATOM 1391 N GLN B 13 3.805 -7.376 -0.860 1.00 0.67 N ATOM 1392 CA GLN B 13 3.666 -6.503 0.236 1.00 0.57 C ATOM 1393 C GLN B 13 4.433 -5.295 -0.067 1.00 0.52 C ATOM 1394 O GLN B 13 4.399 -4.314 0.707 1.00 0.47 O ATOM 1395 CB GLN B 13 4.154 -7.163 1.525 1.00 0.62 C ATOM 1396 CG GLN B 13 3.289 -8.391 1.822 1.00 0.82 C ATOM 1397 CD GLN B 13 1.964 -7.964 2.265 1.00 1.47 C ATOM 1398 OE1 GLN B 13 1.586 -8.189 3.437 1.00 2.34 O ATOM 1399 NE2 GLN B 13 1.151 -7.342 1.399 1.00 2.04 N ATOM 0 H GLN B 13 4.705 -7.851 -0.934 1.00 0.67 H new ATOM 0 HA GLN B 13 2.617 -6.252 0.394 1.00 0.57 H new ATOM 0 HB2 GLN B 13 5.199 -7.456 1.425 1.00 0.62 H new ATOM 0 HB3 GLN B 13 4.099 -6.456 2.353 1.00 0.62 H new ATOM 0 HG2 GLN B 13 3.202 -9.011 0.930 1.00 0.82 H new ATOM 0 HG3 GLN B 13 3.761 -9.003 2.591 1.00 0.82 H new ATOM 0 HE21 GLN B 13 1.464 -7.161 0.445 1.00 2.04 H new ATOM 0 HE22 GLN B 13 0.219 -7.050 1.694 1.00 2.04 H new ATOM 1408 N LYS B 14 5.145 -5.232 -1.203 1.00 0.57 N ATOM 1409 CA LYS B 14 5.831 -4.051 -1.553 1.00 0.57 C ATOM 1410 C LYS B 14 4.892 -3.067 -2.088 1.00 0.60 C ATOM 1411 O LYS B 14 5.300 -1.910 -2.327 1.00 0.60 O ATOM 1412 CB LYS B 14 6.883 -4.335 -2.629 1.00 0.65 C ATOM 1413 CG LYS B 14 8.006 -5.204 -2.064 1.00 0.67 C ATOM 1414 CD LYS B 14 8.994 -5.534 -3.184 1.00 1.04 C ATOM 1415 CE LYS B 14 10.141 -6.381 -2.630 1.00 1.36 C ATOM 1416 NZ LYS B 14 11.063 -6.714 -3.715 1.00 1.71 N ATOM 0 H LYS B 14 5.240 -5.998 -1.869 1.00 0.57 H new ATOM 0 HA LYS B 14 6.315 -3.668 -0.655 1.00 0.57 H new ATOM 0 HB2 LYS B 14 6.418 -4.838 -3.477 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.294 -3.396 -3.001 1.00 0.65 H new ATOM 0 HG2 LYS B 14 8.516 -4.681 -1.255 1.00 0.67 H new ATOM 0 HG3 LYS B 14 7.596 -6.121 -1.642 1.00 0.67 H new ATOM 0 HD2 LYS B 14 8.485 -6.073 -3.983 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.386 -4.614 -3.619 1.00 1.04 H new ATOM 0 HE2 LYS B 14 10.666 -5.835 -1.846 1.00 1.36 H new ATOM 0 HE3 LYS B 14 9.750 -7.292 -2.177 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 11.844 -7.290 -3.342 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 10.557 -7.250 -4.448 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 11.444 -5.839 -4.127 1.00 1.71 H new ATOM 1430 N LYS B 15 3.603 -3.367 -2.324 1.00 0.68 N ATOM 1431 CA LYS B 15 2.748 -2.359 -2.821 1.00 0.73 C ATOM 1432 C LYS B 15 2.213 -1.586 -1.703 1.00 0.66 C ATOM 1433 O LYS B 15 1.437 -0.632 -1.925 1.00 0.70 O ATOM 1434 CB LYS B 15 1.572 -2.957 -3.598 1.00 0.82 C ATOM 1435 CG LYS B 15 2.030 -3.448 -4.972 1.00 0.97 C ATOM 1436 CD LYS B 15 2.230 -4.964 -4.950 1.00 1.51 C ATOM 1437 CE LYS B 15 0.906 -5.594 -4.518 1.00 1.07 C ATOM 1438 NZ LYS B 15 0.679 -6.866 -5.205 1.00 1.94 N ATOM 0 H LYS B 15 3.172 -4.279 -2.174 1.00 0.68 H new ATOM 0 HA LYS B 15 3.330 -1.726 -3.492 1.00 0.73 H new ATOM 0 HB2 LYS B 15 1.140 -3.785 -3.035 1.00 0.82 H new ATOM 0 HB3 LYS B 15 0.788 -2.209 -3.716 1.00 0.82 H new ATOM 0 HG2 LYS B 15 1.290 -3.182 -5.727 1.00 0.97 H new ATOM 0 HG3 LYS B 15 2.961 -2.955 -5.251 1.00 0.97 H new ATOM 0 HD2 LYS B 15 2.524 -5.327 -5.935 1.00 1.51 H new ATOM 0 HD3 LYS B 15 3.028 -5.236 -4.259 1.00 1.51 H new ATOM 0 HE2 LYS B 15 0.911 -5.755 -3.440 1.00 1.07 H new ATOM 0 HE3 LYS B 15 0.086 -4.909 -4.734 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 -0.066 -7.399 -4.712 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 0.383 -6.683 -6.185 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 1.558 -7.422 -5.206 1.00 1.94 H new ATOM 1452 N ALA B 16 2.588 -1.856 -0.446 1.00 0.58 N ATOM 1453 CA ALA B 16 2.160 -1.020 0.600 1.00 0.53 C ATOM 1454 C ALA B 16 3.183 0.011 0.704 1.00 0.50 C ATOM 1455 O ALA B 16 2.876 1.222 0.731 1.00 0.60 O ATOM 1456 CB ALA B 16 2.063 -1.819 1.901 1.00 0.46 C ATOM 0 H ALA B 16 3.177 -2.640 -0.166 1.00 0.58 H new ATOM 0 HA ALA B 16 1.174 -0.593 0.414 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.731 -1.164 2.706 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.348 -2.632 1.776 1.00 0.46 H new ATOM 0 HB3 ALA B 16 3.041 -2.231 2.149 1.00 0.46 H new ATOM 1462 N LEU B 17 4.474 -0.348 0.686 1.00 0.44 N ATOM 1463 CA LEU B 17 5.460 0.652 0.768 1.00 0.46 C ATOM 1464 C LEU B 17 5.579 1.340 -0.514 1.00 0.57 C ATOM 1465 O LEU B 17 6.226 2.405 -0.546 1.00 0.71 O ATOM 1466 CB LEU B 17 6.821 0.054 1.124 1.00 0.42 C ATOM 1467 CG LEU B 17 6.869 -0.249 2.622 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.818 -1.306 2.957 1.00 0.38 C ATOM 1469 CD2 LEU B 17 8.252 -0.776 3.003 1.00 0.38 C ATOM 0 H LEU B 17 4.819 -1.305 0.616 1.00 0.44 H new ATOM 0 HA LEU B 17 5.160 1.351 1.548 1.00 0.46 H new ATOM 0 HB2 LEU B 17 6.990 -0.858 0.552 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.617 0.750 0.857 1.00 0.42 H new ATOM 0 HG LEU B 17 6.667 0.666 3.179 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.849 -1.525 4.024 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.829 -0.932 2.692 1.00 0.38 H new ATOM 0 HD13 LEU B 17 6.025 -2.216 2.394 1.00 0.38 H new ATOM 0 HD21 LEU B 17 8.278 -0.990 4.072 1.00 0.38 H new ATOM 0 HD22 LEU B 17 8.460 -1.689 2.445 1.00 0.38 H new ATOM 0 HD23 LEU B 17 9.006 -0.026 2.764 1.00 0.38 H new ATOM 1481 N ASP B 18 5.024 0.865 -1.639 1.00 0.59 N ATOM 1482 CA ASP B 18 5.096 1.608 -2.839 1.00 0.70 C ATOM 1483 C ASP B 18 4.240 2.787 -2.725 1.00 0.73 C ATOM 1484 O ASP B 18 4.660 3.912 -3.074 1.00 0.82 O ATOM 1485 CB ASP B 18 4.601 0.751 -4.007 1.00 0.76 C ATOM 1486 CG ASP B 18 4.712 1.505 -5.254 1.00 0.97 C ATOM 1487 OD1 ASP B 18 5.826 1.897 -5.661 1.00 1.25 O ATOM 1488 OD2 ASP B 18 3.688 1.764 -5.923 1.00 1.74 O ATOM 0 H ASP B 18 4.532 -0.025 -1.711 1.00 0.59 H new ATOM 0 HA ASP B 18 6.129 1.908 -3.016 1.00 0.70 H new ATOM 0 HB2 ASP B 18 5.187 -0.166 -4.072 1.00 0.76 H new ATOM 0 HB3 ASP B 18 3.565 0.456 -3.840 1.00 0.76 H new ATOM 1493 N LEU B 19 3.000 2.656 -2.228 1.00 0.67 N ATOM 1494 CA LEU B 19 2.149 3.776 -2.117 1.00 0.70 C ATOM 1495 C LEU B 19 2.497 4.583 -0.948 1.00 0.70 C ATOM 1496 O LEU B 19 1.927 5.682 -0.775 1.00 0.84 O ATOM 1497 CB LEU B 19 0.704 3.297 -1.959 1.00 0.60 C ATOM 1498 CG LEU B 19 0.089 2.975 -3.323 1.00 0.68 C ATOM 1499 CD1 LEU B 19 0.964 1.984 -4.091 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -1.292 2.360 -3.110 1.00 0.69 C ATOM 0 H LEU B 19 2.596 1.776 -1.907 1.00 0.67 H new ATOM 0 HA LEU B 19 2.261 4.382 -3.016 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.676 2.412 -1.324 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.113 4.065 -1.460 1.00 0.60 H new ATOM 0 HG LEU B 19 0.013 3.896 -3.902 1.00 0.68 H new ATOM 0 HD11 LEU B 19 0.508 1.769 -5.057 1.00 1.16 H new ATOM 0 HD12 LEU B 19 1.953 2.415 -4.244 1.00 1.16 H new ATOM 0 HD13 LEU B 19 1.055 1.060 -3.520 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.739 2.127 -4.076 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -1.197 1.446 -2.524 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.927 3.068 -2.578 1.00 0.69 H new ATOM 1512 N ALA B 20 3.404 4.154 -0.057 1.00 0.62 N ATOM 1513 CA ALA B 20 3.759 4.948 1.053 1.00 0.69 C ATOM 1514 C ALA B 20 4.445 6.168 0.629 1.00 0.83 C ATOM 1515 O ALA B 20 4.227 7.233 1.241 1.00 1.20 O ATOM 1516 CB ALA B 20 4.706 4.146 1.948 1.00 0.72 C ATOM 0 H ALA B 20 3.886 3.257 -0.113 1.00 0.62 H new ATOM 0 HA ALA B 20 2.850 5.223 1.588 1.00 0.69 H new ATOM 0 HB1 ALA B 20 4.989 4.749 2.811 1.00 0.72 H new ATOM 0 HB2 ALA B 20 4.205 3.239 2.287 1.00 0.72 H new ATOM 0 HB3 ALA B 20 5.600 3.878 1.384 1.00 0.72 H new ATOM 1522 N PHE B 21 5.301 6.147 -0.404 1.00 0.88 N ATOM 1523 CA PHE B 21 6.033 7.296 -0.786 1.00 1.17 C ATOM 1524 C PHE B 21 5.224 8.488 -1.034 1.00 1.60 C ATOM 1525 O PHE B 21 4.147 8.413 -1.665 1.00 2.21 O ATOM 1526 CB PHE B 21 6.791 6.994 -2.078 1.00 1.29 C ATOM 1527 CG PHE B 21 7.900 6.098 -1.784 1.00 1.15 C ATOM 1528 CD1 PHE B 21 7.651 4.776 -1.445 1.00 1.40 C ATOM 1529 CD2 PHE B 21 9.206 6.563 -1.859 1.00 1.63 C ATOM 1530 CE1 PHE B 21 8.708 3.921 -1.157 1.00 1.60 C ATOM 1531 CE2 PHE B 21 10.260 5.704 -1.578 1.00 1.73 C ATOM 1532 CZ PHE B 21 10.015 4.385 -1.224 1.00 1.50 C ATOM 0 H PHE B 21 5.483 5.322 -0.976 1.00 0.88 H new ATOM 0 HA PHE B 21 6.685 7.516 0.059 1.00 1.17 H new ATOM 0 HB2 PHE B 21 6.122 6.537 -2.808 1.00 1.29 H new ATOM 0 HB3 PHE B 21 7.162 7.918 -2.521 1.00 1.29 H new ATOM 0 HD1 PHE B 21 6.635 4.411 -1.405 1.00 1.40 H new ATOM 0 HD2 PHE B 21 9.401 7.589 -2.135 1.00 1.63 H new ATOM 0 HE1 PHE B 21 8.513 2.895 -0.881 1.00 1.60 H new ATOM 0 HE2 PHE B 21 11.276 6.065 -1.635 1.00 1.73 H new ATOM 0 HZ PHE B 21 10.838 3.722 -1.001 1.00 1.50 H new ATOM 1542 N TYR B 22 5.770 9.658 -0.662 1.00 1.98 N ATOM 1543 CA TYR B 22 5.188 10.932 -0.864 1.00 2.49 C ATOM 1544 C TYR B 22 3.958 11.154 -0.106 1.00 2.37 C ATOM 1545 O TYR B 22 2.966 10.409 -0.249 1.00 2.86 O ATOM 1546 CB TYR B 22 4.908 11.155 -2.354 1.00 3.05 C ATOM 1547 CG TYR B 22 6.166 11.077 -3.092 1.00 4.38 C ATOM 1548 CD1 TYR B 22 7.159 12.026 -2.877 1.00 4.86 C ATOM 1549 CD2 TYR B 22 6.386 10.030 -3.980 1.00 4.57 C ATOM 1550 CE1 TYR B 22 8.369 11.931 -3.555 1.00 5.32 C ATOM 1551 CE2 TYR B 22 7.597 9.934 -4.656 1.00 5.05 C ATOM 1552 CZ TYR B 22 8.588 10.885 -4.444 1.00 5.69 C ATOM 1553 OH TYR B 22 9.763 10.792 -5.101 1.00 5.95 O ATOM 0 H TYR B 22 6.674 9.709 -0.192 1.00 1.98 H new ATOM 0 HA TYR B 22 5.919 11.651 -0.493 1.00 2.49 H new ATOM 0 HB2 TYR B 22 4.209 10.404 -2.722 1.00 3.05 H new ATOM 0 HB3 TYR B 22 4.441 12.128 -2.508 1.00 3.05 H new ATOM 0 HD1 TYR B 22 6.990 12.837 -2.184 1.00 4.86 H new ATOM 0 HD2 TYR B 22 5.616 9.291 -4.145 1.00 4.57 H new ATOM 0 HE1 TYR B 22 9.139 12.670 -3.391 1.00 5.32 H new ATOM 0 HE2 TYR B 22 7.768 9.121 -5.346 1.00 5.05 H new ATOM 0 HH TYR B 22 9.751 10.003 -5.682 1.00 5.95 H new ATOM 1563 N PHE B 23 3.928 12.210 0.725 1.00 2.53 N ATOM 1564 CA PHE B 23 2.792 12.587 1.481 1.00 3.15 C ATOM 1565 C PHE B 23 2.464 11.623 2.529 1.00 3.06 C ATOM 1566 O PHE B 23 2.590 11.964 3.725 1.00 3.59 O ATOM 1567 CB PHE B 23 1.570 12.796 0.585 1.00 3.86 C ATOM 1568 CG PHE B 23 1.807 13.901 -0.338 1.00 4.36 C ATOM 1569 CD1 PHE B 23 1.847 15.205 0.140 1.00 5.13 C ATOM 1570 CD2 PHE B 23 1.950 13.654 -1.699 1.00 4.54 C ATOM 1571 CE1 PHE B 23 2.037 16.263 -0.741 1.00 5.84 C ATOM 1572 CE2 PHE B 23 2.142 14.710 -2.580 1.00 5.32 C ATOM 1573 CZ PHE B 23 2.186 16.014 -2.101 1.00 6.77 C ATOM 0 H PHE B 23 4.732 12.821 0.871 1.00 2.53 H new ATOM 0 HA PHE B 23 3.056 13.529 1.961 1.00 3.15 H new ATOM 0 HB2 PHE B 23 1.359 11.884 0.026 1.00 3.86 H new ATOM 0 HB3 PHE B 23 0.692 13.005 1.197 1.00 3.86 H new ATOM 0 HD1 PHE B 23 1.730 15.397 1.196 1.00 5.13 H new ATOM 0 HD2 PHE B 23 1.912 12.641 -2.071 1.00 4.54 H new ATOM 0 HE1 PHE B 23 2.069 17.277 -0.370 1.00 5.84 H new ATOM 0 HE2 PHE B 23 2.257 14.518 -3.637 1.00 5.32 H new ATOM 0 HZ PHE B 23 2.336 16.835 -2.786 1.00 6.77 H new ATOM 1583 N ASP B 24 1.970 10.418 2.216 1.00 2.69 N ATOM 1584 CA ASP B 24 1.621 9.482 3.213 1.00 2.83 C ATOM 1585 C ASP B 24 2.835 9.082 3.929 1.00 2.45 C ATOM 1586 O ASP B 24 2.840 9.057 5.179 1.00 2.75 O ATOM 1587 CB ASP B 24 0.972 8.293 2.501 1.00 3.32 C ATOM 1588 CG ASP B 24 0.362 7.392 3.472 1.00 3.96 C ATOM 1589 OD1 ASP B 24 -0.554 7.803 4.216 1.00 4.25 O ATOM 1590 OD2 ASP B 24 0.739 6.204 3.551 1.00 4.51 O ATOM 0 H ASP B 24 1.814 10.096 1.261 1.00 2.69 H new ATOM 0 HA ASP B 24 0.925 9.895 3.943 1.00 2.83 H new ATOM 0 HB2 ASP B 24 0.217 8.648 1.800 1.00 3.32 H new ATOM 0 HB3 ASP B 24 1.721 7.757 1.918 1.00 3.32 H new ATOM 1595 N ARG B 25 3.922 8.769 3.205 1.00 2.47 N ATOM 1596 CA ARG B 25 5.212 8.482 3.725 1.00 2.98 C ATOM 1597 C ARG B 25 5.233 7.740 4.985 1.00 2.30 C ATOM 1598 O ARG B 25 5.671 8.293 6.018 1.00 2.72 O ATOM 1599 CB ARG B 25 6.033 9.770 3.849 1.00 4.08 C ATOM 1600 CG ARG B 25 5.503 10.693 4.948 1.00 4.68 C ATOM 1601 CD ARG B 25 6.319 11.985 4.927 1.00 5.32 C ATOM 1602 NE ARG B 25 7.672 11.693 5.193 1.00 5.75 N ATOM 1603 CZ ARG B 25 8.613 12.614 4.947 1.00 6.57 C ATOM 1604 NH1 ARG B 25 8.266 13.801 4.431 1.00 7.03 N ATOM 1605 NH2 ARG B 25 9.899 12.348 5.216 1.00 7.21 N ATOM 0 H ARG B 25 3.892 8.714 2.187 1.00 2.47 H new ATOM 0 HA ARG B 25 5.664 7.807 2.998 1.00 2.98 H new ATOM 0 HB2 ARG B 25 7.072 9.517 4.060 1.00 4.08 H new ATOM 0 HB3 ARG B 25 6.021 10.299 2.896 1.00 4.08 H new ATOM 0 HG2 ARG B 25 4.447 10.909 4.786 1.00 4.68 H new ATOM 0 HG3 ARG B 25 5.584 10.209 5.921 1.00 4.68 H new ATOM 0 HD2 ARG B 25 6.225 12.471 3.956 1.00 5.32 H new ATOM 0 HD3 ARG B 25 5.934 12.683 5.671 1.00 5.32 H new ATOM 0 HE ARG B 25 7.934 10.783 5.572 1.00 5.75 H new ATOM 0 HH11 ARG B 25 7.287 14.002 4.226 1.00 7.03 H new ATOM 0 HH12 ARG B 25 8.981 14.504 4.243 1.00 7.03 H new ATOM 0 HH21 ARG B 25 10.162 11.444 5.608 1.00 7.21 H new ATOM 0 HH22 ARG B 25 10.615 13.050 5.028 1.00 7.21 H new ATOM 1619 N ARG B 26 4.866 6.449 5.019 1.00 1.75 N ATOM 1620 CA ARG B 26 4.935 5.690 6.212 1.00 1.34 C ATOM 1621 C ARG B 26 6.321 5.350 6.548 1.00 1.19 C ATOM 1622 O ARG B 26 6.671 4.151 6.551 1.00 2.05 O ATOM 1623 CB ARG B 26 4.165 4.382 6.004 1.00 2.02 C ATOM 1624 CG ARG B 26 2.718 4.704 5.630 1.00 2.50 C ATOM 1625 CD ARG B 26 1.956 5.245 6.840 1.00 2.91 C ATOM 1626 NE ARG B 26 0.739 5.792 6.387 1.00 3.64 N ATOM 1627 CZ ARG B 26 -0.157 6.300 7.245 1.00 4.57 C ATOM 1628 NH1 ARG B 26 0.047 6.226 8.567 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -1.259 6.898 6.771 1.00 5.37 N ATOM 0 H ARG B 26 4.520 5.933 4.210 1.00 1.75 H new ATOM 0 HA ARG B 26 4.509 6.283 7.021 1.00 1.34 H new ATOM 0 HB2 ARG B 26 4.634 3.791 5.217 1.00 2.02 H new ATOM 0 HB3 ARG B 26 4.193 3.781 6.913 1.00 2.02 H new ATOM 0 HG2 ARG B 26 2.700 5.438 4.824 1.00 2.50 H new ATOM 0 HG3 ARG B 26 2.226 3.807 5.255 1.00 2.50 H new ATOM 0 HD2 ARG B 26 1.770 4.447 7.559 1.00 2.91 H new ATOM 0 HD3 ARG B 26 2.547 6.005 7.352 1.00 2.91 H new ATOM 0 HE ARG B 26 0.536 5.802 5.387 1.00 3.64 H new ATOM 0 HH11 ARG B 26 0.890 5.780 8.929 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -0.641 6.616 9.212 1.00 5.01 H new ATOM 0 HH21 ARG B 26 -1.411 6.964 5.764 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -1.946 7.287 7.417 1.00 5.37 H new ATOM 1643 N LEU B 27 7.210 6.304 6.866 1.00 0.90 N ATOM 1644 CA LEU B 27 8.550 5.979 7.170 1.00 0.73 C ATOM 1645 C LEU B 27 8.959 6.749 8.345 1.00 0.77 C ATOM 1646 O LEU B 27 10.145 6.734 8.739 1.00 1.03 O ATOM 1647 CB LEU B 27 9.430 6.341 5.969 1.00 0.72 C ATOM 1648 CG LEU B 27 10.801 5.668 6.088 1.00 0.80 C ATOM 1649 CD1 LEU B 27 11.650 6.352 7.160 1.00 1.23 C ATOM 1650 CD2 LEU B 27 10.602 4.198 6.460 1.00 0.87 C ATOM 0 H LEU B 27 6.992 7.300 6.910 1.00 0.90 H new ATOM 0 HA LEU B 27 8.652 4.914 7.380 1.00 0.73 H new ATOM 0 HB2 LEU B 27 8.943 6.027 5.046 1.00 0.72 H new ATOM 0 HB3 LEU B 27 9.553 7.423 5.913 1.00 0.72 H new ATOM 0 HG LEU B 27 11.319 5.750 5.132 1.00 0.80 H new ATOM 0 HD11 LEU B 27 12.619 5.857 7.227 1.00 1.23 H new ATOM 0 HD12 LEU B 27 11.795 7.400 6.896 1.00 1.23 H new ATOM 0 HD13 LEU B 27 11.142 6.287 8.122 1.00 1.23 H new ATOM 0 HD21 LEU B 27 11.573 3.710 6.547 1.00 0.87 H new ATOM 0 HD22 LEU B 27 10.076 4.132 7.412 1.00 0.87 H new ATOM 0 HD23 LEU B 27 10.015 3.703 5.686 1.00 0.87 H new ATOM 1662 N THR B 28 8.039 7.448 9.023 1.00 0.82 N ATOM 1663 CA THR B 28 8.371 8.174 10.189 1.00 0.93 C ATOM 1664 C THR B 28 8.102 7.256 11.299 1.00 0.87 C ATOM 1665 O THR B 28 7.210 6.406 11.117 1.00 0.80 O ATOM 1666 CB THR B 28 7.486 9.427 10.199 1.00 1.12 C ATOM 1667 OG1 THR B 28 7.691 10.121 8.978 1.00 1.30 O ATOM 1668 CG2 THR B 28 7.848 10.378 11.342 1.00 1.25 C ATOM 0 H THR B 28 7.057 7.507 8.755 1.00 0.82 H new ATOM 0 HA THR B 28 9.406 8.510 10.253 1.00 0.93 H new ATOM 0 HB THR B 28 6.451 9.110 10.329 1.00 1.12 H new ATOM 0 HG1 THR B 28 7.133 10.926 8.962 1.00 1.30 H new ATOM 0 HG21 THR B 28 7.196 11.251 11.310 1.00 1.25 H new ATOM 0 HG22 THR B 28 7.721 9.866 12.296 1.00 1.25 H new ATOM 0 HG23 THR B 28 8.885 10.696 11.236 1.00 1.25 H new ATOM 1676 N PRO B 29 8.818 7.214 12.437 1.00 0.93 N ATOM 1677 CA PRO B 29 8.612 6.233 13.447 1.00 0.90 C ATOM 1678 C PRO B 29 7.260 5.916 13.818 1.00 0.82 C ATOM 1679 O PRO B 29 6.963 4.740 13.963 1.00 0.81 O ATOM 1680 CB PRO B 29 9.362 6.820 14.642 1.00 1.01 C ATOM 1681 CG PRO B 29 10.527 7.537 13.967 1.00 1.10 C ATOM 1682 CD PRO B 29 9.901 8.109 12.695 1.00 1.06 C ATOM 0 HA PRO B 29 8.957 5.269 13.074 1.00 0.90 H new ATOM 0 HB2 PRO B 29 8.740 7.506 15.217 1.00 1.01 H new ATOM 0 HB3 PRO B 29 9.703 6.046 15.330 1.00 1.01 H new ATOM 0 HG2 PRO B 29 10.937 8.323 14.601 1.00 1.10 H new ATOM 0 HG3 PRO B 29 11.344 6.852 13.740 1.00 1.10 H new ATOM 0 HD2 PRO B 29 9.553 9.131 12.841 1.00 1.06 H new ATOM 0 HD3 PRO B 29 10.612 8.130 11.869 1.00 1.06 H new ATOM 1690 N GLU B 30 6.323 6.817 13.992 1.00 0.82 N ATOM 1691 CA GLU B 30 5.025 6.390 14.368 1.00 0.81 C ATOM 1692 C GLU B 30 4.235 6.016 13.194 1.00 0.79 C ATOM 1693 O GLU B 30 3.079 5.558 13.324 1.00 0.84 O ATOM 1694 CB GLU B 30 4.311 7.511 15.122 1.00 0.88 C ATOM 1695 CG GLU B 30 2.978 6.986 15.656 1.00 1.45 C ATOM 1696 CD GLU B 30 2.324 8.027 16.443 1.00 2.08 C ATOM 1697 OE1 GLU B 30 2.081 9.139 15.927 1.00 2.61 O ATOM 1698 OE2 GLU B 30 2.018 7.811 17.635 1.00 2.70 O ATOM 0 H GLU B 30 6.443 7.824 13.879 1.00 0.82 H new ATOM 0 HA GLU B 30 5.127 5.516 15.012 1.00 0.81 H new ATOM 0 HB2 GLU B 30 4.932 7.866 15.945 1.00 0.88 H new ATOM 0 HB3 GLU B 30 4.142 8.361 14.461 1.00 0.88 H new ATOM 0 HG2 GLU B 30 2.336 6.684 14.828 1.00 1.45 H new ATOM 0 HG3 GLU B 30 3.144 6.101 16.270 1.00 1.45 H new ATOM 1705 N TRP B 31 4.769 6.164 11.977 1.00 0.77 N ATOM 1706 CA TRP B 31 4.102 5.778 10.800 1.00 0.78 C ATOM 1707 C TRP B 31 4.664 4.489 10.384 1.00 0.69 C ATOM 1708 O TRP B 31 4.036 3.751 9.594 1.00 0.70 O ATOM 1709 CB TRP B 31 4.337 6.872 9.756 1.00 0.92 C ATOM 1710 CG TRP B 31 3.763 8.133 10.228 1.00 1.37 C ATOM 1711 CD1 TRP B 31 4.116 8.840 11.375 1.00 2.28 C ATOM 1712 CD2 TRP B 31 2.803 8.903 9.589 1.00 1.67 C ATOM 1713 NE1 TRP B 31 3.379 9.963 11.443 1.00 2.57 N ATOM 1714 CE2 TRP B 31 2.578 10.017 10.369 1.00 2.12 C ATOM 1715 CE3 TRP B 31 2.139 8.711 8.388 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 1.655 10.983 9.996 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 1.213 9.676 7.999 1.00 3.12 C ATOM 1718 CH2 TRP B 31 0.970 10.796 8.796 1.00 3.02 C ATOM 0 H TRP B 31 5.693 6.565 11.815 1.00 0.77 H new ATOM 0 HA TRP B 31 3.027 5.661 10.937 1.00 0.78 H new ATOM 0 HB2 TRP B 31 5.405 6.992 9.575 1.00 0.92 H new ATOM 0 HB3 TRP B 31 3.883 6.587 8.807 1.00 0.92 H new ATOM 0 HD1 TRP B 31 4.862 8.535 12.094 1.00 2.28 H new ATOM 0 HE1 TRP B 31 3.422 10.658 12.188 1.00 2.57 H new ATOM 0 HE3 TRP B 31 2.333 7.843 7.775 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 1.473 11.850 10.614 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 0.676 9.556 7.069 1.00 3.12 H new ATOM 0 HH2 TRP B 31 0.242 11.528 8.479 1.00 3.02 H new ATOM 1729 N ARG B 32 5.864 4.110 10.855 1.00 0.68 N ATOM 1730 CA ARG B 32 6.412 2.845 10.543 1.00 0.61 C ATOM 1731 C ARG B 32 5.642 1.830 11.250 1.00 0.61 C ATOM 1732 O ARG B 32 5.244 0.810 10.649 1.00 0.60 O ATOM 1733 CB ARG B 32 7.842 2.746 11.079 1.00 0.66 C ATOM 1734 CG ARG B 32 8.797 3.663 10.317 1.00 0.89 C ATOM 1735 CD ARG B 32 10.146 3.659 11.040 1.00 0.80 C ATOM 1736 NE ARG B 32 10.934 4.724 10.560 1.00 0.83 N ATOM 1737 CZ ARG B 32 12.086 5.045 11.164 1.00 0.85 C ATOM 1738 NH1 ARG B 32 12.506 4.360 12.236 1.00 0.82 N ATOM 1739 NH2 ARG B 32 12.814 6.065 10.692 1.00 0.97 N ATOM 0 H ARG B 32 6.451 4.689 11.455 1.00 0.68 H new ATOM 0 HA ARG B 32 6.393 2.708 9.462 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.853 3.008 12.137 1.00 0.66 H new ATOM 0 HB3 ARG B 32 8.189 1.715 11.002 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.916 3.318 9.290 1.00 0.89 H new ATOM 0 HG3 ARG B 32 8.395 4.675 10.269 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.996 3.758 12.115 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.657 2.710 10.876 1.00 0.80 H new ATOM 0 HE ARG B 32 10.625 5.255 9.746 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.947 3.587 12.598 1.00 0.82 H new ATOM 0 HH12 ARG B 32 13.384 4.611 12.690 1.00 0.82 H new ATOM 0 HH21 ARG B 32 12.490 6.590 9.880 1.00 0.97 H new ATOM 0 HH22 ARG B 32 13.692 6.317 11.145 1.00 0.97 H new ATOM 1753 N ARG B 33 5.361 1.998 12.552 1.00 0.66 N ATOM 1754 CA ARG B 33 4.614 1.022 13.245 1.00 0.69 C ATOM 1755 C ARG B 33 3.237 0.974 12.757 1.00 0.71 C ATOM 1756 O ARG B 33 2.556 -0.054 12.957 1.00 0.73 O ATOM 1757 CB ARG B 33 4.612 1.340 14.741 1.00 0.79 C ATOM 1758 CG ARG B 33 3.890 2.668 14.978 1.00 1.15 C ATOM 1759 CD ARG B 33 3.892 2.996 16.471 1.00 1.14 C ATOM 1760 NE ARG B 33 5.219 3.154 16.922 1.00 1.66 N ATOM 1761 CZ ARG B 33 5.462 3.338 18.227 1.00 2.23 C ATOM 1762 NH1 ARG B 33 4.445 3.364 19.099 1.00 2.27 N ATOM 1763 NH2 ARG B 33 6.721 3.492 18.661 1.00 3.10 N ATOM 0 H ARG B 33 5.650 2.801 13.111 1.00 0.66 H new ATOM 0 HA ARG B 33 5.078 0.051 13.073 1.00 0.69 H new ATOM 0 HB2 ARG B 33 4.117 0.541 15.293 1.00 0.79 H new ATOM 0 HB3 ARG B 33 5.635 1.398 15.113 1.00 0.79 H new ATOM 0 HG2 ARG B 33 4.382 3.465 14.420 1.00 1.15 H new ATOM 0 HG3 ARG B 33 2.866 2.607 14.611 1.00 1.15 H new ATOM 0 HD2 ARG B 33 3.325 3.909 16.653 1.00 1.14 H new ATOM 0 HD3 ARG B 33 3.401 2.199 17.029 1.00 1.14 H new ATOM 0 HE ARG B 33 5.992 3.128 16.257 1.00 1.66 H new ATOM 0 HH11 ARG B 33 3.487 3.244 18.769 1.00 2.27 H new ATOM 0 HH12 ARG B 33 4.629 3.504 20.093 1.00 2.27 H new ATOM 0 HH21 ARG B 33 7.495 3.469 17.998 1.00 3.10 H new ATOM 0 HH22 ARG B 33 6.904 3.632 19.655 1.00 3.10 H new ATOM 1777 N TYR B 34 2.709 2.017 12.100 1.00 0.73 N ATOM 1778 CA TYR B 34 1.400 1.968 11.577 1.00 0.76 C ATOM 1779 C TYR B 34 1.336 0.985 10.502 1.00 0.64 C ATOM 1780 O TYR B 34 0.379 0.183 10.433 1.00 0.67 O ATOM 1781 CB TYR B 34 1.043 3.320 10.961 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.261 3.200 10.319 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.429 3.260 11.070 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -0.327 3.007 8.944 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -2.664 3.134 10.444 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -1.560 2.870 8.319 1.00 1.64 C ATOM 1787 CZ TYR B 34 -2.727 2.933 9.069 1.00 1.18 C ATOM 1788 OH TYR B 34 -3.920 2.790 8.457 1.00 1.42 O ATOM 0 H TYR B 34 3.199 2.896 11.934 1.00 0.73 H new ATOM 0 HA TYR B 34 0.716 1.710 12.386 1.00 0.76 H new ATOM 0 HB2 TYR B 34 1.018 4.093 11.729 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.798 3.617 10.234 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.377 3.404 12.139 1.00 1.23 H new ATOM 0 HD2 TYR B 34 0.581 2.964 8.361 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -3.573 3.192 11.024 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -1.611 2.715 7.251 1.00 1.64 H new ATOM 0 HH TYR B 34 -4.564 2.397 9.083 1.00 1.42 H new ATOM 1798 N LEU B 35 2.312 0.982 9.584 1.00 0.55 N ATOM 1799 CA LEU B 35 2.284 0.096 8.489 1.00 0.49 C ATOM 1800 C LEU B 35 2.636 -1.248 8.945 1.00 0.45 C ATOM 1801 O LEU B 35 1.882 -2.211 8.688 1.00 0.46 O ATOM 1802 CB LEU B 35 3.344 0.580 7.497 1.00 0.57 C ATOM 1803 CG LEU B 35 2.813 0.511 6.064 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.969 0.759 5.095 1.00 1.03 C ATOM 1805 CD2 LEU B 35 2.202 -0.860 5.786 1.00 1.32 C ATOM 0 H LEU B 35 3.122 1.601 9.608 1.00 0.55 H new ATOM 0 HA LEU B 35 1.295 0.069 8.032 1.00 0.49 H new ATOM 0 HB2 LEU B 35 3.632 1.604 7.735 1.00 0.57 H new ATOM 0 HB3 LEU B 35 4.241 -0.032 7.588 1.00 0.57 H new ATOM 0 HG LEU B 35 2.041 1.269 5.931 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.601 0.712 4.070 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.396 1.744 5.282 1.00 1.03 H new ATOM 0 HD13 LEU B 35 4.736 -0.002 5.241 1.00 1.03 H new ATOM 0 HD21 LEU B 35 1.829 -0.891 4.762 1.00 1.32 H new ATOM 0 HD22 LEU B 35 2.961 -1.631 5.920 1.00 1.32 H new ATOM 0 HD23 LEU B 35 1.379 -1.038 6.478 1.00 1.32 H new ATOM 1817 N SER B 36 3.760 -1.416 9.658 1.00 0.46 N ATOM 1818 CA SER B 36 4.199 -2.673 10.137 1.00 0.48 C ATOM 1819 C SER B 36 3.164 -3.415 10.852 1.00 0.59 C ATOM 1820 O SER B 36 3.049 -4.643 10.642 1.00 0.66 O ATOM 1821 CB SER B 36 5.332 -2.419 11.133 1.00 0.52 C ATOM 1822 OG SER B 36 6.461 -1.900 10.452 1.00 1.35 O ATOM 0 H SER B 36 4.381 -0.646 9.907 1.00 0.46 H new ATOM 0 HA SER B 36 4.499 -3.263 9.271 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.004 -1.717 11.900 1.00 0.52 H new ATOM 0 HB3 SER B 36 5.597 -3.346 11.641 1.00 0.52 H new ATOM 0 HG SER B 36 6.408 -0.922 10.428 1.00 1.35 H new ATOM 1828 N GLN B 37 2.365 -2.788 11.729 1.00 0.67 N ATOM 1829 CA GLN B 37 1.396 -3.483 12.488 1.00 0.80 C ATOM 1830 C GLN B 37 0.549 -4.352 11.672 1.00 0.75 C ATOM 1831 O GLN B 37 0.264 -5.494 12.095 1.00 0.86 O ATOM 1832 CB GLN B 37 0.500 -2.464 13.193 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.527 -3.207 14.049 1.00 1.09 C ATOM 1834 CD GLN B 37 -1.411 -2.246 14.702 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -2.144 -1.503 14.015 1.00 2.71 O ATOM 1836 NE2 GLN B 37 -1.444 -2.170 16.039 1.00 2.65 N ATOM 0 H GLN B 37 2.397 -1.784 11.909 1.00 0.67 H new ATOM 0 HA GLN B 37 1.932 -4.114 13.197 1.00 0.80 H new ATOM 0 HB2 GLN B 37 1.101 -1.803 13.817 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.006 -1.837 12.459 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.109 -3.887 13.427 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.019 -3.815 14.797 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -0.845 -2.777 16.599 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -2.068 -1.505 16.497 1.00 2.65 H new ATOM 1845 N ARG B 38 0.056 -3.943 10.495 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.779 -4.812 9.764 1.00 0.68 C ATOM 1847 C ARG B 38 -0.103 -5.284 8.558 1.00 0.59 C ATOM 1848 O ARG B 38 -0.677 -6.113 7.819 1.00 0.65 O ATOM 1849 CB ARG B 38 -2.084 -4.099 9.409 1.00 0.74 C ATOM 1850 CG ARG B 38 -1.797 -2.878 8.535 1.00 1.20 C ATOM 1851 CD ARG B 38 -3.128 -2.204 8.195 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.002 -3.168 7.650 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.268 -2.842 7.358 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -5.707 -1.595 7.574 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.097 -3.768 6.856 1.00 3.07 N ATOM 0 H ARG B 38 0.233 -3.035 10.065 1.00 0.65 H new ATOM 0 HA ARG B 38 -1.009 -5.681 10.380 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -2.750 -4.784 8.883 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.598 -3.791 10.319 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -1.142 -2.182 9.059 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -1.280 -3.177 7.623 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -3.566 -1.761 9.090 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -2.969 -1.394 7.483 1.00 1.55 H new ATOM 0 HE ARG B 38 -3.669 -4.117 7.478 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -5.077 -0.892 7.961 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -6.671 -1.348 7.351 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -5.763 -4.719 6.697 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.061 -3.522 6.633 1.00 3.07 H new ATOM 1869 N LEU B 39 1.118 -4.826 8.245 1.00 0.55 N ATOM 1870 CA LEU B 39 1.802 -5.305 7.108 1.00 0.47 C ATOM 1871 C LEU B 39 2.306 -6.643 7.401 1.00 0.51 C ATOM 1872 O LEU B 39 2.051 -7.592 6.626 1.00 0.53 O ATOM 1873 CB LEU B 39 2.959 -4.362 6.782 1.00 0.36 C ATOM 1874 CG LEU B 39 3.657 -4.809 5.497 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.661 -4.802 4.339 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.777 -3.824 5.166 1.00 0.24 C ATOM 0 H LEU B 39 1.625 -4.124 8.784 1.00 0.55 H new ATOM 0 HA LEU B 39 1.133 -5.348 6.249 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.587 -3.344 6.667 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.672 -4.350 7.607 1.00 0.36 H new ATOM 0 HG LEU B 39 4.057 -5.813 5.640 1.00 0.30 H new ATOM 0 HD11 LEU B 39 3.163 -5.121 3.426 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.841 -5.485 4.560 1.00 0.34 H new ATOM 0 HD13 LEU B 39 2.267 -3.795 4.204 1.00 0.34 H new ATOM 0 HD21 LEU B 39 5.279 -4.138 4.250 1.00 0.24 H new ATOM 0 HD22 LEU B 39 4.356 -2.828 5.026 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.496 -3.803 5.985 1.00 0.24 H new ATOM 1888 N GLY B 40 3.020 -6.851 8.517 1.00 0.56 N ATOM 1889 CA GLY B 40 3.449 -8.152 8.852 1.00 0.64 C ATOM 1890 C GLY B 40 4.866 -8.185 9.204 1.00 0.60 C ATOM 1891 O GLY B 40 5.327 -9.211 9.747 1.00 0.68 O ATOM 0 H GLY B 40 3.294 -6.122 9.176 1.00 0.56 H new ATOM 0 HA2 GLY B 40 2.858 -8.525 9.689 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.268 -8.822 8.011 1.00 0.64 H new ATOM 1895 N LEU B 41 5.680 -7.147 8.965 1.00 0.54 N ATOM 1896 CA LEU B 41 7.031 -7.219 9.371 1.00 0.54 C ATOM 1897 C LEU B 41 7.354 -6.058 10.199 1.00 0.50 C ATOM 1898 O LEU B 41 6.502 -5.156 10.345 1.00 0.59 O ATOM 1899 CB LEU B 41 7.981 -7.353 8.177 1.00 0.56 C ATOM 1900 CG LEU B 41 7.638 -6.376 7.052 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.462 -6.921 6.239 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.273 -5.015 7.642 1.00 1.25 C ATOM 0 H LEU B 41 5.406 -6.281 8.502 1.00 0.54 H new ATOM 0 HA LEU B 41 7.168 -8.121 9.967 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.005 -7.178 8.508 1.00 0.56 H new ATOM 0 HB3 LEU B 41 7.940 -8.373 7.795 1.00 0.56 H new ATOM 0 HG LEU B 41 8.503 -6.261 6.399 1.00 0.59 H new ATOM 0 HD11 LEU B 41 6.219 -6.223 5.438 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.732 -7.886 5.810 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.596 -7.043 6.889 1.00 0.60 H new ATOM 0 HD21 LEU B 41 7.029 -4.323 6.836 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.411 -5.123 8.300 1.00 1.25 H new ATOM 0 HD23 LEU B 41 8.118 -4.627 8.211 1.00 1.25 H new ATOM 1914 N ASN B 42 8.524 -6.007 10.857 1.00 0.51 N ATOM 1915 CA ASN B 42 8.816 -4.951 11.752 1.00 0.53 C ATOM 1916 C ASN B 42 9.138 -3.682 11.102 1.00 0.44 C ATOM 1917 O ASN B 42 9.280 -3.591 9.863 1.00 0.38 O ATOM 1918 CB ASN B 42 10.018 -5.355 12.608 1.00 0.66 C ATOM 1919 CG ASN B 42 9.636 -6.433 13.516 1.00 0.81 C ATOM 1920 OD1 ASN B 42 9.099 -7.470 13.069 1.00 1.11 O ATOM 1921 ND2 ASN B 42 9.843 -6.302 14.833 1.00 1.45 N ATOM 0 H ASN B 42 9.265 -6.702 10.764 1.00 0.51 H new ATOM 0 HA ASN B 42 7.911 -4.790 12.338 1.00 0.53 H new ATOM 0 HB2 ASN B 42 10.839 -5.679 11.969 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.376 -4.497 13.177 1.00 0.66 H new ATOM 0 HD21 ASN B 42 9.563 -7.048 15.470 1.00 1.45 H new ATOM 0 HD22 ASN B 42 10.281 -5.457 15.199 1.00 1.45 H new ATOM 1928 N GLU B 43 9.347 -2.615 11.888 1.00 0.47 N ATOM 1929 CA GLU B 43 9.667 -1.346 11.357 1.00 0.45 C ATOM 1930 C GLU B 43 10.955 -1.402 10.673 1.00 0.40 C ATOM 1931 O GLU B 43 11.168 -0.659 9.692 1.00 0.38 O ATOM 1932 CB GLU B 43 9.762 -0.351 12.515 1.00 0.56 C ATOM 1933 CG GLU B 43 8.395 -0.225 13.190 1.00 0.67 C ATOM 1934 CD GLU B 43 8.497 0.687 14.326 1.00 0.87 C ATOM 1935 OE1 GLU B 43 8.883 1.863 14.153 1.00 1.77 O ATOM 1936 OE2 GLU B 43 8.197 0.290 15.473 1.00 1.31 O ATOM 0 H GLU B 43 9.291 -2.641 12.906 1.00 0.47 H new ATOM 0 HA GLU B 43 8.899 -1.040 10.647 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.507 -0.686 13.237 1.00 0.56 H new ATOM 0 HB3 GLU B 43 10.089 0.622 12.147 1.00 0.56 H new ATOM 0 HG2 GLU B 43 7.658 0.145 12.477 1.00 0.67 H new ATOM 0 HG3 GLU B 43 8.051 -1.204 13.525 1.00 0.67 H new ATOM 1943 N GLU B 44 11.891 -2.264 11.094 1.00 0.46 N ATOM 1944 CA GLU B 44 13.132 -2.386 10.436 1.00 0.46 C ATOM 1945 C GLU B 44 12.932 -2.782 9.044 1.00 0.40 C ATOM 1946 O GLU B 44 13.627 -2.272 8.140 1.00 0.43 O ATOM 1947 CB GLU B 44 13.954 -3.463 11.145 1.00 0.60 C ATOM 1948 CG GLU B 44 15.308 -3.609 10.447 1.00 1.05 C ATOM 1949 CD GLU B 44 16.129 -4.577 11.168 1.00 1.49 C ATOM 1950 OE1 GLU B 44 15.725 -5.750 11.319 1.00 2.32 O ATOM 1951 OE2 GLU B 44 17.232 -4.229 11.642 1.00 1.77 O ATOM 0 H GLU B 44 11.778 -2.879 11.900 1.00 0.46 H new ATOM 0 HA GLU B 44 13.649 -1.427 10.460 1.00 0.46 H new ATOM 0 HB2 GLU B 44 14.099 -3.196 12.192 1.00 0.60 H new ATOM 0 HB3 GLU B 44 13.420 -4.413 11.130 1.00 0.60 H new ATOM 0 HG2 GLU B 44 15.164 -3.935 9.417 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.814 -2.645 10.408 1.00 1.05 H new ATOM 1958 N GLN B 45 11.996 -3.687 8.723 1.00 0.40 N ATOM 1959 CA GLN B 45 11.838 -4.087 7.381 1.00 0.41 C ATOM 1960 C GLN B 45 11.155 -3.046 6.611 1.00 0.35 C ATOM 1961 O GLN B 45 11.142 -3.113 5.362 1.00 0.41 O ATOM 1962 CB GLN B 45 11.028 -5.382 7.352 1.00 0.51 C ATOM 1963 CG GLN B 45 11.769 -6.465 8.140 1.00 0.60 C ATOM 1964 CD GLN B 45 13.070 -6.724 7.530 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.117 -6.518 8.180 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.142 -7.186 6.274 1.00 0.97 N ATOM 0 H GLN B 45 11.362 -4.131 9.387 1.00 0.40 H new ATOM 0 HA GLN B 45 12.817 -4.250 6.930 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.040 -5.216 7.782 1.00 0.51 H new ATOM 0 HB3 GLN B 45 10.877 -5.706 6.322 1.00 0.51 H new ATOM 0 HG2 GLN B 45 11.900 -6.148 9.175 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.178 -7.381 8.159 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.288 -7.354 5.743 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.051 -7.369 5.849 1.00 0.97 H new ATOM 1975 N ILE B 46 10.565 -2.012 7.230 1.00 0.29 N ATOM 1976 CA ILE B 46 9.991 -0.961 6.485 1.00 0.30 C ATOM 1977 C ILE B 46 11.094 -0.116 6.047 1.00 0.39 C ATOM 1978 O ILE B 46 11.154 0.292 4.868 1.00 0.52 O ATOM 1979 CB ILE B 46 9.065 -0.114 7.365 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.919 -0.960 7.920 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.481 1.030 6.533 1.00 0.45 C ATOM 1982 CD1 ILE B 46 7.059 -1.486 6.771 1.00 0.38 C ATOM 0 H ILE B 46 10.490 -1.912 8.242 1.00 0.29 H new ATOM 0 HA ILE B 46 9.411 -1.362 5.654 1.00 0.30 H new ATOM 0 HB ILE B 46 9.647 0.282 8.198 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.317 -1.793 8.499 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.310 -0.363 8.598 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.822 1.634 7.157 1.00 0.45 H new ATOM 0 HG22 ILE B 46 9.290 1.652 6.151 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.914 0.620 5.697 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.244 -2.088 7.173 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.648 -0.646 6.210 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.671 -2.099 6.109 1.00 0.38 H new ATOM 1994 N GLU B 47 12.045 0.199 6.937 1.00 0.38 N ATOM 1995 CA GLU B 47 13.144 1.012 6.592 1.00 0.47 C ATOM 1996 C GLU B 47 13.974 0.369 5.577 1.00 0.51 C ATOM 1997 O GLU B 47 14.517 1.075 4.701 1.00 0.62 O ATOM 1998 CB GLU B 47 13.996 1.210 7.845 1.00 0.50 C ATOM 1999 CG GLU B 47 13.201 2.003 8.883 1.00 0.51 C ATOM 2000 CD GLU B 47 14.000 2.127 10.098 1.00 0.55 C ATOM 2001 OE1 GLU B 47 15.123 2.673 10.055 1.00 1.19 O ATOM 2002 OE2 GLU B 47 13.564 1.679 11.181 1.00 1.11 O ATOM 0 H GLU B 47 12.044 -0.118 7.906 1.00 0.38 H new ATOM 0 HA GLU B 47 12.774 1.959 6.198 1.00 0.47 H new ATOM 0 HB2 GLU B 47 14.288 0.243 8.256 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.915 1.740 7.593 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.952 2.990 8.493 1.00 0.51 H new ATOM 0 HG3 GLU B 47 12.259 1.500 9.101 1.00 0.51 H new ATOM 2009 N ARG B 48 14.135 -0.962 5.560 1.00 0.48 N ATOM 2010 CA ARG B 48 14.970 -1.565 4.595 1.00 0.55 C ATOM 2011 C ARG B 48 14.371 -1.552 3.264 1.00 0.60 C ATOM 2012 O ARG B 48 15.082 -1.205 2.299 1.00 0.68 O ATOM 2013 CB ARG B 48 15.208 -3.024 4.992 1.00 0.56 C ATOM 2014 CG ARG B 48 16.563 -3.164 5.689 1.00 0.62 C ATOM 2015 CD ARG B 48 16.630 -2.298 6.948 1.00 0.60 C ATOM 2016 NE ARG B 48 17.879 -2.505 7.570 1.00 0.71 N ATOM 2017 CZ ARG B 48 18.218 -1.802 8.659 1.00 0.80 C ATOM 2018 NH1 ARG B 48 17.380 -0.881 9.154 1.00 0.79 N ATOM 2019 NH2 ARG B 48 19.400 -2.020 9.251 1.00 0.94 N ATOM 0 H ARG B 48 13.689 -1.609 6.210 1.00 0.48 H new ATOM 0 HA ARG B 48 15.900 -0.997 4.561 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.412 -3.363 5.655 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.178 -3.660 4.107 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.733 -4.208 5.953 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.359 -2.875 5.003 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.505 -1.246 6.691 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.820 -2.558 7.630 1.00 0.60 H new ATOM 0 HE ARG B 48 18.528 -3.194 7.189 1.00 0.71 H new ATOM 0 HH11 ARG B 48 16.481 -0.714 8.702 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.641 -0.347 9.983 1.00 0.79 H new ATOM 0 HH21 ARG B 48 20.039 -2.719 8.872 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.661 -1.487 10.080 1.00 0.94 H new ATOM 2033 N TRP B 49 13.093 -1.887 3.043 1.00 0.56 N ATOM 2034 CA TRP B 49 12.611 -1.843 1.717 1.00 0.64 C ATOM 2035 C TRP B 49 12.416 -0.467 1.266 1.00 0.69 C ATOM 2036 O TRP B 49 12.751 -0.156 0.104 1.00 0.81 O ATOM 2037 CB TRP B 49 11.302 -2.619 1.583 1.00 0.75 C ATOM 2038 CG TRP B 49 10.852 -2.495 0.200 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.630 -2.004 -0.249 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.588 -2.791 -0.936 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.624 -2.011 -1.593 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.805 -2.476 -2.026 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.874 -3.288 -1.077 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 11.274 -2.643 -3.320 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 13.355 -3.462 -2.373 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.565 -3.143 -3.480 1.00 3.63 C ATOM 0 H TRP B 49 12.422 -2.176 3.754 1.00 0.56 H new ATOM 0 HA TRP B 49 13.366 -2.311 1.085 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.450 -3.667 1.844 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.551 -2.223 2.267 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.818 -1.671 0.380 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.849 -1.712 -2.186 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.479 -3.531 -0.216 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.661 -2.394 -4.174 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 14.352 -3.849 -2.524 1.00 3.66 H new ATOM 0 HH2 TRP B 49 12.961 -3.286 -4.475 1.00 3.63 H new ATOM 2057 N PHE B 50 11.866 0.442 2.084 1.00 0.65 N ATOM 2058 CA PHE B 50 11.636 1.779 1.683 1.00 0.72 C ATOM 2059 C PHE B 50 12.887 2.423 1.268 1.00 0.78 C ATOM 2060 O PHE B 50 12.943 3.047 0.186 1.00 0.89 O ATOM 2061 CB PHE B 50 11.056 2.517 2.893 1.00 0.72 C ATOM 2062 CG PHE B 50 10.616 3.866 2.545 1.00 0.86 C ATOM 2063 CD1 PHE B 50 11.530 4.907 2.434 1.00 1.33 C ATOM 2064 CD2 PHE B 50 9.257 4.117 2.396 1.00 1.66 C ATOM 2065 CE1 PHE B 50 11.085 6.193 2.152 1.00 1.54 C ATOM 2066 CE2 PHE B 50 8.811 5.404 2.120 1.00 2.06 C ATOM 2067 CZ PHE B 50 9.726 6.443 1.995 1.00 1.68 C ATOM 0 H PHE B 50 11.578 0.239 3.041 1.00 0.65 H new ATOM 0 HA PHE B 50 10.953 1.805 0.834 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.215 1.952 3.294 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.808 2.571 3.680 1.00 0.72 H new ATOM 0 HD1 PHE B 50 12.585 4.717 2.567 1.00 1.33 H new ATOM 0 HD2 PHE B 50 8.546 3.310 2.495 1.00 1.66 H new ATOM 0 HE1 PHE B 50 11.796 7.000 2.055 1.00 1.54 H new ATOM 0 HE2 PHE B 50 7.755 5.597 2.003 1.00 2.06 H new ATOM 0 HZ PHE B 50 9.382 7.443 1.776 1.00 1.68 H new ATOM 2077 N ARG B 51 13.964 2.364 2.068 1.00 0.75 N ATOM 2078 CA ARG B 51 15.199 2.961 1.715 1.00 0.82 C ATOM 2079 C ARG B 51 15.811 2.307 0.557 1.00 0.87 C ATOM 2080 O ARG B 51 16.295 3.010 -0.357 1.00 0.99 O ATOM 2081 CB ARG B 51 16.127 2.870 2.928 1.00 0.80 C ATOM 2082 CG ARG B 51 17.514 3.432 2.612 1.00 0.78 C ATOM 2083 CD ARG B 51 18.446 2.265 2.283 1.00 1.15 C ATOM 2084 NE ARG B 51 18.508 1.424 3.413 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.024 0.191 3.320 1.00 1.92 C ATOM 2086 NH1 ARG B 51 19.472 -0.269 2.144 1.00 2.22 N ATOM 2087 NH2 ARG B 51 19.086 -0.584 4.412 1.00 2.46 N ATOM 0 H ARG B 51 13.971 1.893 2.973 1.00 0.75 H new ATOM 0 HA ARG B 51 15.028 4.000 1.434 1.00 0.82 H new ATOM 0 HB2 ARG B 51 15.692 3.419 3.763 1.00 0.80 H new ATOM 0 HB3 ARG B 51 16.217 1.830 3.242 1.00 0.80 H new ATOM 0 HG2 ARG B 51 17.460 4.123 1.771 1.00 0.78 H new ATOM 0 HG3 ARG B 51 17.898 3.995 3.463 1.00 0.78 H new ATOM 0 HD2 ARG B 51 18.076 1.714 1.418 1.00 1.15 H new ATOM 0 HD3 ARG B 51 19.440 2.632 2.026 1.00 1.15 H new ATOM 0 HE ARG B 51 18.156 1.758 4.310 1.00 1.48 H new ATOM 0 HH11 ARG B 51 19.421 0.320 1.313 1.00 2.22 H new ATOM 0 HH12 ARG B 51 19.864 -1.209 2.080 1.00 2.22 H new ATOM 0 HH21 ARG B 51 18.742 -0.234 5.306 1.00 2.46 H new ATOM 0 HH22 ARG B 51 19.477 -1.524 4.349 1.00 2.46 H new ATOM 2101 N ARG B 52 15.836 0.969 0.466 1.00 0.84 N ATOM 2102 CA ARG B 52 16.427 0.309 -0.637 1.00 0.98 C ATOM 2103 C ARG B 52 15.796 0.720 -1.886 1.00 1.11 C ATOM 2104 O ARG B 52 16.484 0.899 -2.915 1.00 1.27 O ATOM 2105 CB ARG B 52 16.216 -1.197 -0.473 1.00 1.02 C ATOM 2106 CG ARG B 52 16.726 -1.921 -1.719 1.00 1.23 C ATOM 2107 CD ARG B 52 18.231 -1.695 -1.868 1.00 1.31 C ATOM 2108 NE ARG B 52 18.671 -2.310 -3.057 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.133 -3.568 -3.030 1.00 2.25 C ATOM 2110 NH1 ARG B 52 19.191 -4.233 -1.868 1.00 2.15 N ATOM 2111 NH2 ARG B 52 19.531 -4.159 -4.164 1.00 3.07 N ATOM 0 H ARG B 52 15.440 0.344 1.168 1.00 0.84 H new ATOM 0 HA ARG B 52 17.487 0.562 -0.670 1.00 0.98 H new ATOM 0 HB2 ARG B 52 16.744 -1.555 0.411 1.00 1.02 H new ATOM 0 HB3 ARG B 52 15.158 -1.413 -0.321 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.515 -2.988 -1.643 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.204 -1.555 -2.603 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.451 -0.628 -1.892 1.00 1.31 H new ATOM 0 HD3 ARG B 52 18.761 -2.110 -1.011 1.00 1.31 H new ATOM 0 HE ARG B 52 18.638 -1.798 -3.938 1.00 1.79 H new ATOM 0 HH11 ARG B 52 18.884 -3.782 -1.006 1.00 2.15 H new ATOM 0 HH12 ARG B 52 19.542 -5.190 -1.845 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.482 -3.652 -5.048 1.00 3.07 H new ATOM 0 HH22 ARG B 52 19.883 -5.116 -4.144 1.00 3.07 H new ATOM 2125 N LYS B 53 14.469 0.893 -1.912 1.00 1.08 N ATOM 2126 CA LYS B 53 13.758 1.251 -3.077 1.00 1.25 C ATOM 2127 C LYS B 53 14.223 2.519 -3.655 1.00 1.35 C ATOM 2128 O LYS B 53 13.882 2.809 -4.822 1.00 1.57 O ATOM 2129 CB LYS B 53 12.287 1.291 -2.656 1.00 1.20 C ATOM 2130 CG LYS B 53 11.312 1.388 -3.829 1.00 1.31 C ATOM 2131 CD LYS B 53 9.924 1.162 -3.225 1.00 1.89 C ATOM 2132 CE LYS B 53 8.860 0.899 -4.291 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.563 2.128 -5.018 1.00 2.62 N ATOM 0 H LYS B 53 13.876 0.778 -1.090 1.00 1.08 H new ATOM 0 HA LYS B 53 13.917 0.530 -3.879 1.00 1.25 H new ATOM 0 HB2 LYS B 53 12.059 0.394 -2.080 1.00 1.20 H new ATOM 0 HB3 LYS B 53 12.131 2.143 -1.995 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.376 2.363 -4.313 1.00 1.31 H new ATOM 0 HG3 LYS B 53 11.536 0.639 -4.589 1.00 1.31 H new ATOM 0 HD2 LYS B 53 9.963 0.317 -2.538 1.00 1.89 H new ATOM 0 HD3 LYS B 53 9.639 2.036 -2.639 1.00 1.89 H new ATOM 0 HE2 LYS B 53 9.210 0.133 -4.984 1.00 2.23 H new ATOM 0 HE3 LYS B 53 7.953 0.516 -3.824 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 7.557 2.140 -5.283 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 8.772 2.948 -4.413 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 9.148 2.173 -5.877 1.00 2.62 H new ATOM 2147 N GLU B 54 14.987 3.386 -2.967 1.00 1.24 N ATOM 2148 CA GLU B 54 15.447 4.577 -3.577 1.00 1.34 C ATOM 2149 C GLU B 54 16.895 4.531 -3.776 1.00 1.32 C ATOM 2150 O GLU B 54 17.468 5.489 -4.341 1.00 1.39 O ATOM 2151 CB GLU B 54 15.190 5.776 -2.665 1.00 1.34 C ATOM 2152 CG GLU B 54 13.697 5.995 -2.449 1.00 1.18 C ATOM 2153 CD GLU B 54 13.521 7.246 -1.715 1.00 1.29 C ATOM 2154 OE1 GLU B 54 13.889 8.325 -2.230 1.00 1.61 O ATOM 2155 OE2 GLU B 54 12.996 7.244 -0.581 1.00 1.87 O ATOM 0 H GLU B 54 15.280 3.257 -1.998 1.00 1.24 H new ATOM 0 HA GLU B 54 14.918 4.671 -4.526 1.00 1.34 H new ATOM 0 HB2 GLU B 54 15.680 5.617 -1.704 1.00 1.34 H new ATOM 0 HB3 GLU B 54 15.632 6.671 -3.103 1.00 1.34 H new ATOM 0 HG2 GLU B 54 13.177 6.039 -3.406 1.00 1.18 H new ATOM 0 HG3 GLU B 54 13.268 5.163 -1.891 1.00 1.18 H new ATOM 2162 N GLN B 55 17.611 3.478 -3.357 1.00 1.24 N ATOM 2163 CA GLN B 55 19.018 3.489 -3.473 1.00 1.27 C ATOM 2164 C GLN B 55 19.452 2.816 -4.690 1.00 1.34 C ATOM 2165 O GLN B 55 20.667 2.790 -4.981 1.00 1.42 O ATOM 2166 CB GLN B 55 19.641 2.816 -2.249 1.00 1.22 C ATOM 2167 CG GLN B 55 19.466 3.731 -1.036 1.00 1.35 C ATOM 2168 CD GLN B 55 20.503 4.759 -1.068 1.00 2.14 C ATOM 2169 OE1 GLN B 55 21.345 4.827 -0.148 1.00 2.60 O ATOM 2170 NE2 GLN B 55 20.566 5.612 -2.099 1.00 2.89 N ATOM 0 H GLN B 55 17.216 2.633 -2.944 1.00 1.24 H new ATOM 0 HA GLN B 55 19.350 4.526 -3.527 1.00 1.27 H new ATOM 0 HB2 GLN B 55 19.165 1.853 -2.066 1.00 1.22 H new ATOM 0 HB3 GLN B 55 20.699 2.621 -2.424 1.00 1.22 H new ATOM 0 HG2 GLN B 55 18.478 4.191 -1.050 1.00 1.35 H new ATOM 0 HG3 GLN B 55 19.536 3.153 -0.114 1.00 1.35 H new ATOM 0 HE21 GLN B 55 19.878 5.556 -2.850 1.00 2.89 H new ATOM 0 HE22 GLN B 55 21.302 6.317 -2.133 1.00 2.89 H new ATOM 2179 N GLN B 56 18.561 2.243 -5.509 1.00 1.34 N ATOM 2180 CA GLN B 56 18.999 1.676 -6.721 1.00 1.42 C ATOM 2181 C GLN B 56 19.224 2.747 -7.690 1.00 1.55 C ATOM 2182 O GLN B 56 19.827 2.502 -8.757 1.00 1.60 O ATOM 2183 CB GLN B 56 17.945 0.702 -7.250 1.00 1.47 C ATOM 2184 CG GLN B 56 18.446 0.043 -8.537 1.00 1.65 C ATOM 2185 CD GLN B 56 19.570 -0.842 -8.238 1.00 1.83 C ATOM 2186 OE1 GLN B 56 20.595 -0.388 -7.686 1.00 2.40 O ATOM 2187 NE2 GLN B 56 19.496 -2.144 -8.547 1.00 2.08 N ATOM 0 H GLN B 56 17.559 2.176 -5.331 1.00 1.34 H new ATOM 0 HA GLN B 56 19.928 1.129 -6.559 1.00 1.42 H new ATOM 0 HB2 GLN B 56 17.732 -0.060 -6.500 1.00 1.47 H new ATOM 0 HB3 GLN B 56 17.011 1.231 -7.441 1.00 1.47 H new ATOM 0 HG2 GLN B 56 17.640 -0.523 -9.003 1.00 1.65 H new ATOM 0 HG3 GLN B 56 18.753 0.807 -9.251 1.00 1.65 H new ATOM 0 HE21 GLN B 56 18.659 -2.514 -8.998 1.00 2.08 H new ATOM 0 HE22 GLN B 56 20.276 -2.764 -8.332 1.00 2.08 H new ATOM 2196 N ILE B 57 18.751 3.981 -7.452 1.00 1.64 N ATOM 2197 CA ILE B 57 18.923 4.999 -8.410 1.00 1.81 C ATOM 2198 C ILE B 57 19.550 6.199 -7.856 1.00 1.89 C ATOM 2199 O ILE B 57 20.474 6.745 -8.497 1.00 2.07 O ATOM 2200 CB ILE B 57 17.553 5.358 -8.989 1.00 1.88 C ATOM 2201 CG1 ILE B 57 17.720 6.412 -10.085 1.00 2.08 C ATOM 2202 CG2 ILE B 57 16.630 5.904 -7.899 1.00 1.87 C ATOM 2203 CD1 ILE B 57 18.497 5.808 -11.256 1.00 2.66 C ATOM 0 H ILE B 57 18.257 4.261 -6.605 1.00 1.64 H new ATOM 0 HA ILE B 57 19.592 4.622 -9.183 1.00 1.81 H new ATOM 0 HB ILE B 57 17.107 4.455 -9.406 1.00 1.88 H new ATOM 0 HG12 ILE B 57 16.744 6.759 -10.423 1.00 2.08 H new ATOM 0 HG13 ILE B 57 18.249 7.280 -9.692 1.00 2.08 H new ATOM 0 HG21 ILE B 57 15.662 6.153 -8.333 1.00 1.87 H new ATOM 0 HG22 ILE B 57 16.497 5.150 -7.123 1.00 1.87 H new ATOM 0 HG23 ILE B 57 17.073 6.799 -7.462 1.00 1.87 H new ATOM 0 HD11 ILE B 57 18.617 6.558 -12.038 1.00 2.66 H new ATOM 0 HD12 ILE B 57 19.479 5.482 -10.912 1.00 2.66 H new ATOM 0 HD13 ILE B 57 17.950 4.953 -11.654 1.00 2.66 H new ATOM 2215 N GLY B 58 19.151 6.742 -6.696 1.00 1.79 N ATOM 2216 CA GLY B 58 19.720 7.969 -6.296 1.00 1.90 C ATOM 2217 C GLY B 58 18.697 8.822 -5.693 1.00 1.88 C ATOM 2218 O GLY B 58 18.838 10.063 -5.752 1.00 1.99 O ATOM 0 H GLY B 58 18.460 6.343 -6.061 1.00 1.79 H new ATOM 0 HA2 GLY B 58 20.524 7.791 -5.582 1.00 1.90 H new ATOM 0 HA3 GLY B 58 20.163 8.471 -7.156 1.00 1.90 H new ATOM 2222 N TRP B 59 17.604 8.275 -5.136 1.00 1.76 N ATOM 2223 CA TRP B 59 16.559 9.040 -4.560 1.00 1.74 C ATOM 2224 C TRP B 59 15.792 9.815 -5.540 1.00 1.83 C ATOM 2225 O TRP B 59 14.939 10.622 -5.113 1.00 1.90 O ATOM 2226 CB TRP B 59 17.088 10.019 -3.502 1.00 1.80 C ATOM 2227 CG TRP B 59 17.720 9.320 -2.384 1.00 2.05 C ATOM 2228 CD1 TRP B 59 17.083 8.606 -1.373 1.00 2.09 C ATOM 2229 CD2 TRP B 59 19.068 9.320 -2.059 1.00 2.50 C ATOM 2230 NE1 TRP B 59 18.003 8.179 -0.490 1.00 2.57 N ATOM 2231 CE2 TRP B 59 19.210 8.608 -0.887 1.00 2.86 C ATOM 2232 CE3 TRP B 59 20.156 9.902 -2.692 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 20.451 8.436 -0.293 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 21.409 9.732 -2.108 1.00 3.32 C ATOM 2235 CH2 TRP B 59 21.556 9.007 -0.923 1.00 3.70 C ATOM 0 H TRP B 59 17.448 7.268 -5.088 1.00 1.76 H new ATOM 0 HA TRP B 59 15.900 8.301 -4.105 1.00 1.74 H new ATOM 0 HB2 TRP B 59 17.808 10.696 -3.961 1.00 1.80 H new ATOM 0 HB3 TRP B 59 16.267 10.631 -3.130 1.00 1.80 H new ATOM 0 HD1 TRP B 59 16.020 8.424 -1.308 1.00 2.09 H new ATOM 0 HE1 TRP B 59 17.814 7.622 0.343 1.00 2.57 H new ATOM 0 HE3 TRP B 59 20.036 10.467 -3.605 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 20.558 7.879 0.626 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 22.279 10.167 -2.578 1.00 3.32 H new ATOM 0 HH2 TRP B 59 22.538 8.887 -0.489 1.00 3.70 H new ATOM 2246 N SER B 60 15.947 9.683 -6.867 1.00 1.88 N ATOM 2247 CA SER B 60 15.159 10.476 -7.734 1.00 1.98 C ATOM 2248 C SER B 60 14.167 9.665 -8.438 1.00 1.92 C ATOM 2249 O SER B 60 13.290 10.223 -9.132 1.00 1.97 O ATOM 2250 CB SER B 60 16.058 11.182 -8.751 1.00 2.09 C ATOM 2251 OG SER B 60 16.730 10.214 -9.543 1.00 2.16 O ATOM 0 H SER B 60 16.599 9.045 -7.323 1.00 1.88 H new ATOM 0 HA SER B 60 14.632 11.215 -7.131 1.00 1.98 H new ATOM 0 HB2 SER B 60 15.462 11.837 -9.387 1.00 2.09 H new ATOM 0 HB3 SER B 60 16.783 11.812 -8.236 1.00 2.09 H new ATOM 0 HG SER B 60 17.304 10.667 -10.195 1.00 2.16 H new ATOM 2257 N HIS B 61 14.195 8.328 -8.354 1.00 1.87 N ATOM 2258 CA HIS B 61 13.232 7.539 -9.020 1.00 1.91 C ATOM 2259 C HIS B 61 12.959 6.351 -8.219 1.00 1.97 C ATOM 2260 O HIS B 61 13.534 5.283 -8.521 1.00 2.60 O ATOM 2261 CB HIS B 61 13.780 7.086 -10.374 1.00 2.75 C ATOM 2262 CG HIS B 61 12.738 6.355 -11.087 1.00 3.15 C ATOM 2263 ND1 HIS B 61 12.739 5.045 -11.369 1.00 4.13 N ATOM 2264 CD2 HIS B 61 11.552 6.881 -11.581 1.00 3.11 C ATOM 2265 CE1 HIS B 61 11.604 4.753 -12.021 1.00 4.69 C ATOM 2266 NE2 HIS B 61 10.880 5.874 -12.154 1.00 4.06 N ATOM 0 H HIS B 61 14.887 7.799 -7.823 1.00 1.87 H new ATOM 0 HA HIS B 61 12.325 8.126 -9.164 1.00 1.91 H new ATOM 0 HB2 HIS B 61 14.102 7.949 -10.958 1.00 2.75 H new ATOM 0 HB3 HIS B 61 14.655 6.452 -10.233 1.00 2.75 H new ATOM 0 HD2 HIS B 61 11.231 7.910 -11.515 1.00 3.11 H new ATOM 0 HE1 HIS B 61 11.320 3.775 -12.380 1.00 4.69 H new ATOM 0 HE2 HIS B 61 9.972 5.947 -12.613 1.00 4.06 H new ATOM 2275 N PRO B 62 12.123 6.379 -7.172 1.00 1.93 N ATOM 2276 CA PRO B 62 11.931 5.264 -6.319 1.00 2.45 C ATOM 2277 C PRO B 62 11.235 4.149 -6.891 1.00 2.06 C ATOM 2278 O PRO B 62 10.174 3.825 -6.389 1.00 2.31 O ATOM 2279 CB PRO B 62 11.044 5.826 -5.203 1.00 3.15 C ATOM 2280 CG PRO B 62 11.315 7.329 -5.237 1.00 2.98 C ATOM 2281 CD PRO B 62 11.489 7.577 -6.732 1.00 2.10 C ATOM 0 HA PRO B 62 12.906 4.870 -6.033 1.00 2.45 H new ATOM 0 HB2 PRO B 62 9.991 5.606 -5.381 1.00 3.15 H new ATOM 0 HB3 PRO B 62 11.300 5.396 -4.235 1.00 3.15 H new ATOM 0 HG2 PRO B 62 10.488 7.904 -4.820 1.00 2.98 H new ATOM 0 HG3 PRO B 62 12.207 7.597 -4.671 1.00 2.98 H new ATOM 0 HD2 PRO B 62 10.533 7.737 -7.231 1.00 2.10 H new ATOM 0 HD3 PRO B 62 12.102 8.456 -6.929 1.00 2.10 H new ATOM 2289 N GLN B 63 11.730 3.500 -7.920 1.00 1.69 N ATOM 2290 CA GLN B 63 11.170 2.317 -8.459 1.00 1.51 C ATOM 2291 C GLN B 63 9.711 2.300 -8.467 1.00 1.56 C ATOM 2292 O GLN B 63 9.104 1.497 -7.724 1.00 1.92 O ATOM 2293 CB GLN B 63 11.654 1.128 -7.629 1.00 1.70 C ATOM 2294 CG GLN B 63 13.173 0.998 -7.749 1.00 2.04 C ATOM 2295 CD GLN B 63 13.627 -0.182 -7.017 1.00 2.56 C ATOM 2296 OE1 GLN B 63 14.848 -0.441 -6.950 1.00 3.20 O ATOM 2297 NE2 GLN B 63 12.742 -0.996 -6.425 1.00 2.72 N ATOM 0 H GLN B 63 12.568 3.808 -8.413 1.00 1.69 H new ATOM 0 HA GLN B 63 11.495 2.265 -9.498 1.00 1.51 H new ATOM 0 HB2 GLN B 63 11.373 1.263 -6.585 1.00 1.70 H new ATOM 0 HB3 GLN B 63 11.173 0.212 -7.973 1.00 1.70 H new ATOM 0 HG2 GLN B 63 13.459 0.919 -8.798 1.00 2.04 H new ATOM 0 HG3 GLN B 63 13.656 1.891 -7.353 1.00 2.04 H new ATOM 0 HE21 GLN B 63 11.745 -0.789 -6.477 1.00 2.72 H new ATOM 0 HE22 GLN B 63 13.066 -1.822 -5.923 1.00 2.72 H new ATOM 2306 N PHE B 64 9.013 3.053 -9.326 1.00 1.50 N ATOM 2307 CA PHE B 64 7.603 2.996 -9.308 1.00 1.63 C ATOM 2308 C PHE B 64 7.108 1.750 -9.897 1.00 1.91 C ATOM 2309 O PHE B 64 5.881 1.514 -9.878 1.00 2.60 O ATOM 2310 CB PHE B 64 7.042 4.192 -10.078 1.00 1.89 C ATOM 2311 CG PHE B 64 7.370 5.413 -9.348 1.00 3.00 C ATOM 2312 CD1 PHE B 64 6.846 5.626 -8.078 1.00 3.61 C ATOM 2313 CD2 PHE B 64 8.223 6.353 -9.913 1.00 3.73 C ATOM 2314 CE1 PHE B 64 7.166 6.784 -7.378 1.00 4.84 C ATOM 2315 CE2 PHE B 64 8.543 7.511 -9.215 1.00 4.94 C ATOM 2316 CZ PHE B 64 8.011 7.728 -7.949 1.00 5.47 C ATOM 0 H PHE B 64 9.418 3.686 -10.016 1.00 1.50 H new ATOM 0 HA PHE B 64 7.271 3.028 -8.270 1.00 1.63 H new ATOM 0 HB2 PHE B 64 7.464 4.227 -11.082 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.962 4.097 -10.190 1.00 1.89 H new ATOM 0 HD1 PHE B 64 6.190 4.891 -7.635 1.00 3.61 H new ATOM 0 HD2 PHE B 64 8.638 6.183 -10.896 1.00 3.73 H new ATOM 0 HE1 PHE B 64 6.758 6.950 -6.392 1.00 4.84 H new ATOM 0 HE2 PHE B 64 9.205 8.242 -9.656 1.00 4.94 H new ATOM 0 HZ PHE B 64 8.255 8.631 -7.409 1.00 5.47 H new