USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 479 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: B -3 LYS NZ :NH3+ 154:sc= -1.1 (180deg=-2.17!) USER MOD Set 1.2: B -8 LYS NZ :NH3+ -171:sc= -1.09 (180deg=-1.14) USER MOD Set 2.1: B 1 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 6 LYS NZ :NH3+ -153:sc= 1.14 (180deg=0.615) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0549 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 98:sc= -2.94! USER MOD Single : A 16 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.7) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.646 (180deg=0.0896) USER MOD Single : A 28 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.24) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= -2.07! (180deg=-5.05!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 139:sc= 0.616! USER MOD Single : A 53 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.4!) USER MOD Single : A 54 TYR OH : rot -74:sc= -0.342 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.93! C(o=-2.9!,f=-14!) USER MOD Single : B 3 LYS NZ :NH3+ 137:sc= -0.231! (180deg=-3.37!) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.121 USER MOD Single : B 5 LYS NZ :NH3+ -151:sc= -0.0451 (180deg=-0.483) USER MOD Single : B -5 SER OG : rot 180:sc= 0.031 USER MOD Single : B -6 HIS : no HE2:sc= -4.25! C(o=-4.3!,f=-6.9!) USER MOD Single : B -10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.156 -14.259 -4.129 1.00 0.00 N ATOM 2 CA ALA A 1 3.417 -13.671 -2.982 1.00 0.00 C ATOM 3 C ALA A 1 1.986 -13.318 -3.375 1.00 0.00 C ATOM 4 O ALA A 1 1.682 -13.146 -4.556 1.00 0.00 O ATOM 5 CB ALA A 1 4.133 -12.425 -2.472 1.00 0.00 C ATOM 0 H1 ALA A 1 4.369 -15.257 -3.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.573 -14.194 -4.988 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.044 -13.738 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 1 3.384 -14.417 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.580 -12.006 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.139 -12.691 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.193 -11.687 -3.272 1.00 0.00 H new ATOM 13 N PRO A 2 1.087 -13.206 -2.383 1.00 0.00 N ATOM 14 CA PRO A 2 -0.319 -12.844 -2.616 1.00 0.00 C ATOM 15 C PRO A 2 -0.425 -11.511 -3.339 1.00 0.00 C ATOM 16 O PRO A 2 0.552 -10.778 -3.452 1.00 0.00 O ATOM 17 CB PRO A 2 -0.893 -12.807 -1.183 1.00 0.00 C ATOM 18 CG PRO A 2 0.290 -12.564 -0.317 1.00 0.00 C ATOM 19 CD PRO A 2 1.361 -13.402 -0.948 1.00 0.00 C ATOM 0 HA PRO A 2 -0.862 -13.535 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.635 -12.016 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.386 -13.745 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.564 -11.509 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.101 -12.863 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.360 -13.065 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.286 -14.450 -0.656 1.00 0.00 H new ATOM 24 N TRP A 3 -1.606 -11.208 -3.835 1.00 0.00 N ATOM 25 CA TRP A 3 -1.829 -9.976 -4.574 1.00 0.00 C ATOM 26 C TRP A 3 -3.127 -9.325 -4.153 1.00 0.00 C ATOM 27 O TRP A 3 -3.991 -9.953 -3.545 1.00 0.00 O ATOM 28 CB TRP A 3 -1.826 -10.266 -6.070 1.00 0.00 C ATOM 29 CG TRP A 3 -3.000 -11.050 -6.521 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.158 -12.405 -6.549 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.189 -10.493 -7.015 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.404 -12.714 -7.045 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.057 -11.542 -7.345 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.588 -9.187 -7.208 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.327 -11.306 -7.871 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.825 -8.944 -7.716 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.694 -9.994 -8.048 1.00 0.00 C ATOM 0 H TRP A 3 -2.432 -11.799 -3.741 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.022 -9.279 -4.350 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.798 -9.323 -6.615 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.916 -10.809 -6.325 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.418 -13.125 -6.231 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.780 -13.654 -7.169 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.927 -8.370 -6.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -6.992 -12.118 -8.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.145 -7.924 -7.867 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.670 -9.767 -8.450 1.00 0.00 H new ATOM 47 N ALA A 4 -3.239 -8.042 -4.485 1.00 0.00 N ATOM 48 CA ALA A 4 -4.423 -7.299 -4.106 1.00 0.00 C ATOM 49 C ALA A 4 -4.741 -6.143 -5.041 1.00 0.00 C ATOM 50 O ALA A 4 -3.901 -5.711 -5.825 1.00 0.00 O ATOM 51 CB ALA A 4 -4.270 -6.762 -2.692 1.00 0.00 C ATOM 0 H ALA A 4 -2.539 -7.511 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.253 -8.002 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.165 -6.205 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.132 -7.593 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.403 -6.103 -2.645 1.00 0.00 H new ATOM 57 N THR A 5 -5.959 -5.658 -4.948 1.00 0.00 N ATOM 58 CA THR A 5 -6.408 -4.533 -5.752 1.00 0.00 C ATOM 59 C THR A 5 -6.715 -3.341 -4.866 1.00 0.00 C ATOM 60 O THR A 5 -7.111 -3.502 -3.712 1.00 0.00 O ATOM 61 CB THR A 5 -7.671 -4.883 -6.560 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.611 -6.246 -6.997 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.814 -3.968 -7.765 1.00 0.00 C ATOM 0 H THR A 5 -6.668 -6.028 -4.315 1.00 0.00 H new ATOM 0 HA THR A 5 -5.602 -4.290 -6.444 1.00 0.00 H new ATOM 0 HB THR A 5 -8.538 -4.745 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.419 -6.461 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.713 -4.235 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.888 -2.934 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.943 -4.078 -8.411 1.00 0.00 H new ATOM 71 N ALA A 6 -6.532 -2.138 -5.407 1.00 0.00 N ATOM 72 CA ALA A 6 -6.802 -0.910 -4.670 1.00 0.00 C ATOM 73 C ALA A 6 -8.276 -0.547 -4.755 1.00 0.00 C ATOM 74 O ALA A 6 -8.909 -0.691 -5.801 1.00 0.00 O ATOM 75 CB ALA A 6 -5.947 0.231 -5.205 1.00 0.00 C ATOM 0 H ALA A 6 -6.196 -1.990 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.547 -1.077 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.161 1.140 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.893 -0.023 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.174 0.393 -6.259 1.00 0.00 H new ATOM 81 N GLU A 7 -8.811 -0.074 -3.638 1.00 0.00 N ATOM 82 CA GLU A 7 -10.206 0.331 -3.568 1.00 0.00 C ATOM 83 C GLU A 7 -10.352 1.838 -3.344 1.00 0.00 C ATOM 84 O GLU A 7 -11.452 2.383 -3.437 1.00 0.00 O ATOM 85 CB GLU A 7 -10.927 -0.393 -2.428 1.00 0.00 C ATOM 86 CG GLU A 7 -10.846 -1.907 -2.522 1.00 0.00 C ATOM 87 CD GLU A 7 -11.211 -2.591 -1.219 1.00 0.00 C ATOM 88 OE1 GLU A 7 -10.514 -2.355 -0.210 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.192 -3.364 -1.209 1.00 0.00 O ATOM 0 H GLU A 7 -8.296 0.039 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.653 0.066 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.500 -0.073 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.975 -0.093 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.513 -2.255 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.835 -2.196 -2.809 1.00 0.00 H new ATOM 94 N TYR A 8 -9.236 2.506 -3.048 1.00 0.00 N ATOM 95 CA TYR A 8 -9.213 3.942 -2.793 1.00 0.00 C ATOM 96 C TYR A 8 -7.907 4.545 -3.270 1.00 0.00 C ATOM 97 O TYR A 8 -6.863 3.898 -3.188 1.00 0.00 O ATOM 98 CB TYR A 8 -9.348 4.117 -1.304 1.00 0.00 C ATOM 99 CG TYR A 8 -10.576 3.422 -0.788 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.840 3.971 -0.952 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.471 2.185 -0.183 1.00 0.00 C ATOM 102 CE1 TYR A 8 -12.962 3.309 -0.522 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.585 1.514 0.257 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.835 2.077 0.086 1.00 0.00 C ATOM 105 OH TYR A 8 -13.957 1.406 0.519 1.00 0.00 O ATOM 0 H TYR A 8 -8.320 2.062 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.020 4.444 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.464 3.718 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.398 5.179 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.942 4.936 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.496 1.738 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.939 3.749 -0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.485 0.551 0.735 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.693 0.553 0.923 1.00 0.00 H new ATOM 114 N ASP A 9 -7.939 5.784 -3.774 1.00 0.00 N ATOM 115 CA ASP A 9 -6.769 6.488 -4.284 1.00 0.00 C ATOM 116 C ASP A 9 -5.849 6.813 -3.127 1.00 0.00 C ATOM 117 O ASP A 9 -5.921 7.890 -2.537 1.00 0.00 O ATOM 118 CB ASP A 9 -7.226 7.774 -4.974 1.00 0.00 C ATOM 119 CG ASP A 9 -8.306 7.521 -6.007 1.00 0.00 C ATOM 120 OD1 ASP A 9 -9.436 7.169 -5.610 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.020 7.675 -7.213 1.00 0.00 O ATOM 0 H ASP A 9 -8.798 6.331 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.234 5.867 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.599 8.472 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.371 8.249 -5.455 1.00 0.00 H new ATOM 125 N TYR A 10 -4.986 5.868 -2.808 1.00 0.00 N ATOM 126 CA TYR A 10 -4.083 6.011 -1.683 1.00 0.00 C ATOM 127 C TYR A 10 -2.855 6.840 -2.024 1.00 0.00 C ATOM 128 O TYR A 10 -2.196 6.601 -3.034 1.00 0.00 O ATOM 129 CB TYR A 10 -3.688 4.630 -1.204 1.00 0.00 C ATOM 130 CG TYR A 10 -2.727 4.627 -0.048 1.00 0.00 C ATOM 131 CD1 TYR A 10 -2.881 5.507 1.013 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.665 3.735 -0.017 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.001 5.496 2.074 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.786 3.718 1.042 1.00 0.00 C ATOM 135 CZ TYR A 10 -0.957 4.599 2.082 1.00 0.00 C ATOM 136 OH TYR A 10 -0.086 4.579 3.137 1.00 0.00 O ATOM 0 H TYR A 10 -4.891 4.988 -3.315 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.600 6.551 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.588 4.088 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.240 4.084 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.701 6.210 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.526 3.044 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.130 6.187 2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.034 3.015 1.055 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.340 3.865 3.758 1.00 0.00 H new ATOM 145 N ASP A 11 -2.573 7.834 -1.185 1.00 0.00 N ATOM 146 CA ASP A 11 -1.395 8.666 -1.399 1.00 0.00 C ATOM 147 C ASP A 11 -0.389 8.532 -0.243 1.00 0.00 C ATOM 148 O ASP A 11 -0.116 9.512 0.448 1.00 0.00 O ATOM 149 CB ASP A 11 -1.849 10.122 -1.506 1.00 0.00 C ATOM 150 CG ASP A 11 -0.691 11.096 -1.608 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.123 11.230 -2.712 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.352 11.725 -0.583 1.00 0.00 O ATOM 0 H ASP A 11 -3.132 8.079 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.898 8.341 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.489 10.234 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.453 10.374 -0.634 1.00 0.00 H new ATOM 156 N ALA A 12 0.148 7.311 -0.053 1.00 0.00 N ATOM 157 CA ALA A 12 1.164 6.994 0.979 1.00 0.00 C ATOM 158 C ALA A 12 1.341 8.095 2.034 1.00 0.00 C ATOM 159 O ALA A 12 2.128 9.023 1.846 1.00 0.00 O ATOM 160 CB ALA A 12 2.482 6.717 0.286 1.00 0.00 C ATOM 0 H ALA A 12 -0.113 6.503 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 12 0.813 6.118 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.242 6.482 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.366 5.872 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.788 7.597 -0.279 1.00 0.00 H new ATOM 166 N ALA A 13 0.608 7.988 3.130 1.00 0.00 N ATOM 167 CA ALA A 13 0.678 8.975 4.210 1.00 0.00 C ATOM 168 C ALA A 13 2.078 9.151 4.872 1.00 0.00 C ATOM 169 O ALA A 13 2.370 10.245 5.354 1.00 0.00 O ATOM 170 CB ALA A 13 -0.333 8.627 5.275 1.00 0.00 C ATOM 0 H ALA A 13 -0.047 7.226 3.301 1.00 0.00 H new ATOM 0 HA ALA A 13 0.460 9.931 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.282 9.361 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.333 8.632 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.115 7.636 5.674 1.00 0.00 H new ATOM 176 N GLU A 14 2.939 8.132 4.915 1.00 0.00 N ATOM 177 CA GLU A 14 4.236 8.278 5.634 1.00 0.00 C ATOM 178 C GLU A 14 5.544 8.271 4.812 1.00 0.00 C ATOM 179 O GLU A 14 6.616 8.324 5.414 1.00 0.00 O ATOM 180 CB GLU A 14 4.392 7.159 6.671 1.00 0.00 C ATOM 181 CG GLU A 14 3.966 7.567 8.073 1.00 0.00 C ATOM 182 CD GLU A 14 4.614 8.860 8.528 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.845 8.996 8.364 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.892 9.735 9.050 1.00 0.00 O ATOM 0 H GLU A 14 2.784 7.222 4.482 1.00 0.00 H new ATOM 0 HA GLU A 14 4.142 9.284 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.802 6.298 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.434 6.839 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.882 7.679 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.222 6.771 8.772 1.00 0.00 H new ATOM 189 N ASP A 15 5.476 8.186 3.494 1.00 0.00 N ATOM 190 CA ASP A 15 6.675 8.199 2.621 1.00 0.00 C ATOM 191 C ASP A 15 6.990 6.765 2.246 1.00 0.00 C ATOM 192 O ASP A 15 6.874 6.415 1.069 1.00 0.00 O ATOM 193 CB ASP A 15 7.885 8.920 3.233 1.00 0.00 C ATOM 194 CG ASP A 15 8.883 9.366 2.183 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.479 9.531 1.013 1.00 0.00 O ATOM 196 OD2 ASP A 15 10.068 9.551 2.531 1.00 0.00 O ATOM 0 H ASP A 15 4.597 8.106 2.983 1.00 0.00 H new ATOM 0 HA ASP A 15 6.449 8.784 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.541 9.788 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.380 8.256 3.942 1.00 0.00 H new ATOM 200 N ASN A 16 7.391 5.910 3.209 1.00 0.00 N ATOM 201 CA ASN A 16 7.632 4.543 2.769 1.00 0.00 C ATOM 202 C ASN A 16 6.367 3.738 3.000 1.00 0.00 C ATOM 203 O ASN A 16 6.352 2.742 3.728 1.00 0.00 O ATOM 204 CB ASN A 16 8.661 4.024 3.782 1.00 0.00 C ATOM 205 CG ASN A 16 9.607 3.007 3.180 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.473 2.625 2.018 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.574 2.563 3.974 1.00 0.00 N ATOM 0 H ASN A 16 7.540 6.119 4.196 1.00 0.00 H new ATOM 0 HA ASN A 16 7.940 4.478 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.236 4.863 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.139 3.574 4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.244 1.877 3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.647 2.908 4.931 1.00 0.00 H new ATOM 213 N GLU A 17 5.316 4.174 2.364 1.00 0.00 N ATOM 214 CA GLU A 17 4.101 3.456 2.190 1.00 0.00 C ATOM 215 C GLU A 17 3.997 3.246 0.688 1.00 0.00 C ATOM 216 O GLU A 17 4.770 3.856 -0.054 1.00 0.00 O ATOM 217 CB GLU A 17 2.945 4.246 2.790 1.00 0.00 C ATOM 218 CG GLU A 17 3.021 4.223 4.313 1.00 0.00 C ATOM 219 CD GLU A 17 1.961 5.056 5.003 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.422 5.977 4.363 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.691 4.803 6.195 1.00 0.00 O ATOM 0 H GLU A 17 5.291 5.097 1.930 1.00 0.00 H new ATOM 0 HA GLU A 17 4.072 2.494 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.976 5.276 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.996 3.822 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.934 3.191 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.004 4.579 4.621 1.00 0.00 H new ATOM 226 N LEU A 18 3.100 2.432 0.199 1.00 0.00 N ATOM 227 CA LEU A 18 2.957 2.316 -1.239 1.00 0.00 C ATOM 228 C LEU A 18 1.875 3.300 -1.605 1.00 0.00 C ATOM 229 O LEU A 18 1.189 3.844 -0.742 1.00 0.00 O ATOM 230 CB LEU A 18 2.541 0.902 -1.646 1.00 0.00 C ATOM 231 CG LEU A 18 3.324 0.303 -2.814 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.111 -1.191 -2.867 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.907 0.933 -4.133 1.00 0.00 C ATOM 0 H LEU A 18 2.470 1.851 0.752 1.00 0.00 H new ATOM 0 HA LEU A 18 3.899 2.519 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.650 0.246 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.483 0.913 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 18 4.382 0.512 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.673 -1.609 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.456 -1.641 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.050 -1.403 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.480 0.488 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.844 0.758 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.097 2.006 -4.100 1.00 0.00 H new ATOM 244 N THR A 19 1.732 3.527 -2.894 1.00 0.00 N ATOM 245 CA THR A 19 0.744 4.463 -3.359 1.00 0.00 C ATOM 246 C THR A 19 0.040 3.912 -4.567 1.00 0.00 C ATOM 247 O THR A 19 0.680 3.462 -5.518 1.00 0.00 O ATOM 248 CB THR A 19 1.400 5.805 -3.716 1.00 0.00 C ATOM 249 OG1 THR A 19 2.825 5.699 -3.615 1.00 0.00 O ATOM 250 CG2 THR A 19 0.901 6.888 -2.790 1.00 0.00 C ATOM 0 H THR A 19 2.283 3.080 -3.627 1.00 0.00 H new ATOM 0 HA THR A 19 0.020 4.624 -2.560 1.00 0.00 H new ATOM 0 HB THR A 19 1.135 6.063 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.234 6.559 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.372 7.836 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.181 6.981 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.151 6.630 -1.761 1.00 0.00 H new ATOM 258 N PHE A 20 -1.269 3.941 -4.539 1.00 0.00 N ATOM 259 CA PHE A 20 -2.028 3.392 -5.640 1.00 0.00 C ATOM 260 C PHE A 20 -3.366 4.090 -5.802 1.00 0.00 C ATOM 261 O PHE A 20 -3.856 4.773 -4.903 1.00 0.00 O ATOM 262 CB PHE A 20 -2.190 1.879 -5.447 1.00 0.00 C ATOM 263 CG PHE A 20 -2.349 1.513 -3.999 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.529 1.793 -3.335 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.303 0.943 -3.293 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.669 1.503 -1.992 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.431 0.660 -1.946 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.617 0.938 -1.293 1.00 0.00 C ATOM 0 H PHE A 20 -1.826 4.332 -3.780 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.480 3.566 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.059 1.533 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.321 1.365 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.350 2.243 -3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.377 0.717 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.600 1.717 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.605 0.222 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.722 0.715 -0.241 1.00 0.00 H new ATOM 277 N VAL A 21 -3.937 3.891 -6.971 1.00 0.00 N ATOM 278 CA VAL A 21 -5.223 4.466 -7.315 1.00 0.00 C ATOM 279 C VAL A 21 -6.197 3.362 -7.642 1.00 0.00 C ATOM 280 O VAL A 21 -5.844 2.429 -8.353 1.00 0.00 O ATOM 281 CB VAL A 21 -5.135 5.440 -8.496 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.731 6.823 -8.011 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.156 4.918 -9.528 1.00 0.00 C ATOM 0 H VAL A 21 -3.523 3.325 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.567 5.035 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.116 5.520 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.673 7.504 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.472 7.191 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.758 6.768 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.100 5.617 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.170 4.815 -9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.492 3.946 -9.890 1.00 0.00 H new ATOM 293 N GLU A 22 -7.411 3.461 -7.107 1.00 0.00 N ATOM 294 CA GLU A 22 -8.462 2.477 -7.301 1.00 0.00 C ATOM 295 C GLU A 22 -8.307 1.616 -8.541 1.00 0.00 C ATOM 296 O GLU A 22 -7.851 2.054 -9.598 1.00 0.00 O ATOM 297 CB GLU A 22 -9.807 3.175 -7.374 1.00 0.00 C ATOM 298 CG GLU A 22 -10.955 2.293 -6.943 1.00 0.00 C ATOM 299 CD GLU A 22 -12.165 2.413 -7.848 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.180 3.323 -8.703 1.00 0.00 O ATOM 301 OE2 GLU A 22 -13.099 1.597 -7.702 1.00 0.00 O ATOM 0 H GLU A 22 -7.693 4.243 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.391 1.809 -6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.783 4.064 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.980 3.513 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.622 1.255 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.243 2.552 -5.924 1.00 0.00 H new ATOM 306 N ASN A 23 -8.741 0.389 -8.374 1.00 0.00 N ATOM 307 CA ASN A 23 -8.646 -0.567 -9.459 1.00 0.00 C ATOM 308 C ASN A 23 -7.181 -0.864 -9.818 1.00 0.00 C ATOM 309 O ASN A 23 -6.916 -1.615 -10.756 1.00 0.00 O ATOM 310 CB ASN A 23 -9.392 -0.051 -10.686 1.00 0.00 C ATOM 311 CG ASN A 23 -10.683 0.661 -10.330 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.683 0.029 -9.992 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.666 1.987 -10.406 1.00 0.00 N ATOM 0 H ASN A 23 -9.157 0.030 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.107 -1.497 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.746 0.631 -11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.614 -0.887 -11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.505 2.522 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.814 2.471 -10.691 1.00 0.00 H new ATOM 319 N ASP A 24 -6.221 -0.281 -9.070 1.00 0.00 N ATOM 320 CA ASP A 24 -4.806 -0.523 -9.344 1.00 0.00 C ATOM 321 C ASP A 24 -4.438 -1.856 -8.747 1.00 0.00 C ATOM 322 O ASP A 24 -4.755 -2.160 -7.597 1.00 0.00 O ATOM 323 CB ASP A 24 -3.907 0.571 -8.764 1.00 0.00 C ATOM 324 CG ASP A 24 -3.697 1.720 -9.733 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.431 1.788 -10.741 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.798 2.551 -9.483 1.00 0.00 O ATOM 0 H ASP A 24 -6.403 0.348 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.653 -0.518 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.350 0.952 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.941 0.141 -8.499 1.00 0.00 H new ATOM 330 N LYS A 25 -3.761 -2.646 -9.555 1.00 0.00 N ATOM 331 CA LYS A 25 -3.360 -3.959 -9.151 1.00 0.00 C ATOM 332 C LYS A 25 -2.086 -3.946 -8.303 1.00 0.00 C ATOM 333 O LYS A 25 -1.136 -3.221 -8.593 1.00 0.00 O ATOM 334 CB LYS A 25 -3.157 -4.791 -10.400 1.00 0.00 C ATOM 335 CG LYS A 25 -2.829 -6.208 -10.081 1.00 0.00 C ATOM 336 CD LYS A 25 -4.085 -7.039 -9.924 1.00 0.00 C ATOM 337 CE LYS A 25 -3.854 -8.445 -10.427 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.664 -8.744 -11.640 1.00 0.00 N ATOM 0 H LYS A 25 -3.480 -2.390 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.140 -4.387 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.060 -4.757 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.354 -4.359 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.209 -6.628 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.244 -6.251 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.382 -7.065 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.904 -6.579 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.797 -8.579 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.103 -9.157 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.849 -9.766 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.567 -8.231 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.143 -8.444 -12.488 1.00 0.00 H new ATOM 348 N ILE A 26 -2.085 -4.762 -7.248 1.00 0.00 N ATOM 349 CA ILE A 26 -0.937 -4.900 -6.355 1.00 0.00 C ATOM 350 C ILE A 26 -0.563 -6.384 -6.289 1.00 0.00 C ATOM 351 O ILE A 26 -1.437 -7.245 -6.210 1.00 0.00 O ATOM 352 CB ILE A 26 -1.265 -4.390 -4.929 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.615 -2.898 -4.953 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.093 -4.638 -3.994 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.387 -2.425 -3.732 1.00 0.00 C ATOM 0 H ILE A 26 -2.881 -5.345 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.111 -4.302 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.130 -4.942 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.694 -2.320 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.203 -2.687 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.340 -4.274 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.116 -5.707 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.786 -4.111 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.597 -1.359 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.326 -2.974 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.793 -2.602 -2.835 1.00 0.00 H new ATOM 366 N ILE A 27 0.733 -6.669 -6.318 1.00 0.00 N ATOM 367 CA ILE A 27 1.205 -8.050 -6.331 1.00 0.00 C ATOM 368 C ILE A 27 2.455 -8.229 -5.490 1.00 0.00 C ATOM 369 O ILE A 27 3.064 -7.264 -5.027 1.00 0.00 O ATOM 370 CB ILE A 27 1.462 -8.502 -7.779 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.534 -7.631 -8.431 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.174 -8.469 -8.584 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.222 -8.303 -9.596 1.00 0.00 C ATOM 0 H ILE A 27 1.473 -5.967 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 27 0.427 -8.673 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 27 1.825 -9.530 -7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.079 -6.702 -8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.280 -7.363 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.375 -8.792 -9.606 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.557 -9.138 -8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.222 -7.453 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.971 -7.630 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.706 -9.218 -9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.486 -8.546 -10.362 1.00 0.00 H new ATOM 384 N ASN A 28 2.821 -9.489 -5.304 1.00 0.00 N ATOM 385 CA ASN A 28 3.963 -9.849 -4.501 1.00 0.00 C ATOM 386 C ASN A 28 3.773 -9.303 -3.116 1.00 0.00 C ATOM 387 O ASN A 28 4.677 -8.731 -2.509 1.00 0.00 O ATOM 388 CB ASN A 28 5.275 -9.358 -5.095 1.00 0.00 C ATOM 389 CG ASN A 28 5.636 -10.052 -6.370 1.00 0.00 C ATOM 390 OD1 ASN A 28 6.123 -11.183 -6.375 1.00 0.00 O ATOM 391 ND2 ASN A 28 5.392 -9.363 -7.466 1.00 0.00 N ATOM 0 H ASN A 28 2.329 -10.285 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 28 4.029 -10.937 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.205 -8.286 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.074 -9.506 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.608 -9.763 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.987 -8.429 -7.402 1.00 0.00 H new ATOM 397 N ILE A 29 2.559 -9.494 -2.634 1.00 0.00 N ATOM 398 CA ILE A 29 2.180 -9.013 -1.338 1.00 0.00 C ATOM 399 C ILE A 29 2.830 -9.869 -0.272 1.00 0.00 C ATOM 400 O ILE A 29 3.008 -11.066 -0.437 1.00 0.00 O ATOM 401 CB ILE A 29 0.642 -9.009 -1.164 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.014 -7.967 -2.092 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.248 -8.731 0.282 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.477 -7.799 -1.892 1.00 0.00 C ATOM 0 H ILE A 29 1.818 -9.985 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 29 2.524 -7.983 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 29 0.269 -9.998 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.504 -7.007 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.204 -8.253 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.838 -8.735 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.667 -9.502 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.633 -7.757 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.854 -7.045 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.979 -8.748 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.673 -7.483 -0.867 1.00 0.00 H new ATOM 415 N GLU A 30 3.189 -9.238 0.816 1.00 0.00 N ATOM 416 CA GLU A 30 3.762 -9.997 1.914 1.00 0.00 C ATOM 417 C GLU A 30 3.225 -9.522 3.244 1.00 0.00 C ATOM 418 O GLU A 30 2.692 -8.434 3.377 1.00 0.00 O ATOM 419 CB GLU A 30 5.291 -9.984 1.865 1.00 0.00 C ATOM 420 CG GLU A 30 5.853 -10.032 0.449 1.00 0.00 C ATOM 421 CD GLU A 30 7.184 -10.754 0.376 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.761 -11.043 1.444 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.648 -11.030 -0.751 1.00 0.00 O ATOM 0 H GLU A 30 3.102 -8.234 0.971 1.00 0.00 H new ATOM 0 HA GLU A 30 3.455 -11.037 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.655 -9.085 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.672 -10.836 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.137 -10.529 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.974 -9.015 0.075 1.00 0.00 H new ATOM 428 N PHE A 31 3.453 -10.357 4.241 1.00 0.00 N ATOM 429 CA PHE A 31 2.958 -10.032 5.565 1.00 0.00 C ATOM 430 C PHE A 31 4.039 -9.488 6.474 1.00 0.00 C ATOM 431 O PHE A 31 4.285 -10.001 7.566 1.00 0.00 O ATOM 432 CB PHE A 31 2.254 -11.252 6.156 1.00 0.00 C ATOM 433 CG PHE A 31 1.150 -11.745 5.256 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.330 -10.840 4.591 1.00 0.00 C ATOM 435 CD2 PHE A 31 0.945 -13.101 5.050 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.672 -11.278 3.747 1.00 0.00 C ATOM 437 CE2 PHE A 31 -0.056 -13.544 4.199 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.865 -12.630 3.547 1.00 0.00 C ATOM 0 H PHE A 31 3.961 -11.238 4.165 1.00 0.00 H new ATOM 0 HA PHE A 31 2.233 -9.223 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.979 -12.050 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.842 -10.998 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.479 -9.780 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.572 -13.819 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.305 -10.562 3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.204 -14.603 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.645 -12.974 2.884 1.00 0.00 H new ATOM 447 N VAL A 32 4.679 -8.432 5.995 1.00 0.00 N ATOM 448 CA VAL A 32 5.703 -7.738 6.749 1.00 0.00 C ATOM 449 C VAL A 32 5.107 -7.301 8.085 1.00 0.00 C ATOM 450 O VAL A 32 5.768 -7.383 9.119 1.00 0.00 O ATOM 451 CB VAL A 32 6.181 -6.500 5.955 1.00 0.00 C ATOM 452 CG1 VAL A 32 6.947 -6.926 4.712 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.990 -5.628 5.582 1.00 0.00 C ATOM 0 H VAL A 32 4.501 -8.035 5.073 1.00 0.00 H new ATOM 0 HA VAL A 32 6.555 -8.395 6.921 1.00 0.00 H new ATOM 0 HB VAL A 32 6.855 -5.918 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.275 -6.042 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.816 -7.515 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.299 -7.527 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.336 -4.759 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.297 -6.202 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.483 -5.298 6.489 1.00 0.00 H new ATOM 463 N ASP A 33 3.862 -6.837 8.064 1.00 0.00 N ATOM 464 CA ASP A 33 3.159 -6.469 9.287 1.00 0.00 C ATOM 465 C ASP A 33 1.720 -6.977 9.220 1.00 0.00 C ATOM 466 O ASP A 33 1.224 -7.303 8.142 1.00 0.00 O ATOM 467 CB ASP A 33 3.223 -4.967 9.541 1.00 0.00 C ATOM 468 CG ASP A 33 4.227 -4.645 10.630 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.440 -4.655 10.342 1.00 0.00 O ATOM 470 OD2 ASP A 33 3.800 -4.400 11.779 1.00 0.00 O ATOM 0 H ASP A 33 3.318 -6.707 7.211 1.00 0.00 H new ATOM 0 HA ASP A 33 3.654 -6.943 10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.499 -4.450 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.238 -4.601 9.829 1.00 0.00 H new ATOM 474 N ASP A 34 1.052 -7.046 10.367 1.00 0.00 N ATOM 475 CA ASP A 34 -0.337 -7.494 10.410 1.00 0.00 C ATOM 476 C ASP A 34 -1.232 -6.518 9.646 1.00 0.00 C ATOM 477 O ASP A 34 -2.045 -6.909 8.809 1.00 0.00 O ATOM 478 CB ASP A 34 -0.815 -7.607 11.860 1.00 0.00 C ATOM 479 CG ASP A 34 -1.597 -8.882 12.114 1.00 0.00 C ATOM 480 OD1 ASP A 34 -1.678 -9.721 11.193 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.126 -9.039 13.234 1.00 0.00 O ATOM 0 H ASP A 34 1.446 -6.799 11.275 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.397 -8.475 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.046 -7.573 12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.439 -6.747 12.102 1.00 0.00 H new ATOM 485 N ASP A 35 -1.053 -5.239 9.959 1.00 0.00 N ATOM 486 CA ASP A 35 -1.887 -4.171 9.410 1.00 0.00 C ATOM 487 C ASP A 35 -1.405 -3.585 8.084 1.00 0.00 C ATOM 488 O ASP A 35 -2.223 -3.263 7.221 1.00 0.00 O ATOM 489 CB ASP A 35 -1.993 -3.041 10.435 1.00 0.00 C ATOM 490 CG ASP A 35 -0.642 -2.628 10.986 1.00 0.00 C ATOM 491 OD1 ASP A 35 0.386 -3.036 10.406 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.612 -1.898 11.999 1.00 0.00 O ATOM 0 H ASP A 35 -0.328 -4.912 10.598 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.851 -4.634 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.472 -2.178 9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.635 -3.359 11.256 1.00 0.00 H new ATOM 496 N TRP A 36 -0.099 -3.443 7.907 1.00 0.00 N ATOM 497 CA TRP A 36 0.419 -2.966 6.628 1.00 0.00 C ATOM 498 C TRP A 36 1.240 -4.052 5.973 1.00 0.00 C ATOM 499 O TRP A 36 2.259 -4.465 6.524 1.00 0.00 O ATOM 500 CB TRP A 36 1.293 -1.725 6.793 1.00 0.00 C ATOM 501 CG TRP A 36 0.525 -0.513 7.170 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.176 -0.355 8.308 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.364 0.697 6.418 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.755 0.882 8.345 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.446 1.549 7.190 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.825 1.147 5.175 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.808 2.820 6.767 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.463 2.413 4.749 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.349 3.235 5.545 1.00 0.00 C ATOM 0 H TRP A 36 0.609 -3.645 8.613 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.438 -2.704 6.008 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.048 -1.920 7.554 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.823 -1.535 5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.268 -1.101 9.083 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.324 1.248 9.108 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.451 0.518 4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.429 3.458 7.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.810 2.773 3.792 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.618 4.217 5.186 1.00 0.00 H new ATOM 519 N TRP A 37 0.831 -4.534 4.806 1.00 0.00 N ATOM 520 CA TRP A 37 1.552 -5.552 4.077 1.00 0.00 C ATOM 521 C TRP A 37 2.439 -4.856 3.075 1.00 0.00 C ATOM 522 O TRP A 37 2.307 -3.651 2.864 1.00 0.00 O ATOM 523 CB TRP A 37 0.554 -6.475 3.370 1.00 0.00 C ATOM 524 CG TRP A 37 -0.526 -7.035 4.232 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.428 -7.480 5.517 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.884 -7.222 3.839 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.654 -7.932 5.949 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.565 -7.781 4.932 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.589 -6.963 2.661 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -3.921 -8.089 4.881 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.932 -7.265 2.610 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.588 -7.824 3.714 1.00 0.00 C ATOM 0 H TRP A 37 -0.021 -4.221 4.340 1.00 0.00 H new ATOM 0 HA TRP A 37 2.159 -6.160 4.748 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.092 -5.923 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.105 -7.303 2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.476 -7.478 6.107 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.853 -8.316 6.873 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.090 -6.533 1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.429 -8.521 5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.487 -7.068 1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.642 -8.051 3.644 1.00 0.00 H new ATOM 542 N LEU A 38 3.339 -5.587 2.452 1.00 0.00 N ATOM 543 CA LEU A 38 4.219 -4.996 1.483 1.00 0.00 C ATOM 544 C LEU A 38 3.790 -5.422 0.102 1.00 0.00 C ATOM 545 O LEU A 38 3.183 -6.468 -0.065 1.00 0.00 O ATOM 546 CB LEU A 38 5.672 -5.386 1.808 1.00 0.00 C ATOM 547 CG LEU A 38 6.351 -6.347 0.820 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.630 -5.629 -0.490 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.634 -6.908 1.415 1.00 0.00 C ATOM 0 H LEU A 38 3.475 -6.587 2.602 1.00 0.00 H new ATOM 0 HA LEU A 38 4.165 -3.908 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.267 -4.475 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.692 -5.841 2.798 1.00 0.00 H new ATOM 0 HG LEU A 38 5.680 -7.183 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.111 -6.316 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.692 -5.276 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.287 -4.779 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.100 -7.586 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.319 -6.090 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.403 -7.450 2.332 1.00 0.00 H new ATOM 560 N GLY A 39 4.099 -4.590 -0.871 1.00 0.00 N ATOM 561 CA GLY A 39 3.662 -4.942 -2.201 1.00 0.00 C ATOM 562 C GLY A 39 4.667 -4.847 -3.321 1.00 0.00 C ATOM 563 O GLY A 39 5.877 -4.719 -3.135 1.00 0.00 O ATOM 0 H GLY A 39 4.619 -3.717 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.290 -5.966 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.816 -4.303 -2.455 1.00 0.00 H new ATOM 567 N GLU A 40 4.070 -4.922 -4.499 1.00 0.00 N ATOM 568 CA GLU A 40 4.719 -4.808 -5.793 1.00 0.00 C ATOM 569 C GLU A 40 3.585 -4.552 -6.773 1.00 0.00 C ATOM 570 O GLU A 40 2.747 -5.421 -6.948 1.00 0.00 O ATOM 571 CB GLU A 40 5.488 -6.067 -6.176 1.00 0.00 C ATOM 572 CG GLU A 40 6.742 -5.767 -6.969 1.00 0.00 C ATOM 573 CD GLU A 40 7.865 -6.742 -6.680 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.589 -7.811 -6.097 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.022 -6.437 -7.038 1.00 0.00 O ATOM 0 H GLU A 40 3.065 -5.072 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 40 5.463 -4.012 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.757 -6.613 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.840 -6.720 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.509 -5.793 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.077 -4.755 -6.741 1.00 0.00 H new ATOM 580 N LEU A 41 3.547 -3.418 -7.439 1.00 0.00 N ATOM 581 CA LEU A 41 2.415 -3.185 -8.327 1.00 0.00 C ATOM 582 C LEU A 41 2.539 -3.949 -9.624 1.00 0.00 C ATOM 583 O LEU A 41 3.517 -3.841 -10.336 1.00 0.00 O ATOM 584 CB LEU A 41 2.155 -1.698 -8.576 1.00 0.00 C ATOM 585 CG LEU A 41 2.101 -0.828 -7.320 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.039 0.645 -7.693 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.905 -1.211 -6.461 1.00 0.00 C ATOM 0 H LEU A 41 4.244 -2.674 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 41 1.541 -3.573 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.936 -1.314 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.211 -1.595 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 41 3.010 -0.998 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.001 1.249 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.925 0.912 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.147 0.832 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.880 -0.583 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.013 -1.068 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.990 -2.257 -6.165 1.00 0.00 H new ATOM 598 N GLU A 42 1.563 -4.789 -9.895 1.00 0.00 N ATOM 599 CA GLU A 42 1.568 -5.556 -11.119 1.00 0.00 C ATOM 600 C GLU A 42 1.615 -4.608 -12.312 1.00 0.00 C ATOM 601 O GLU A 42 2.256 -4.894 -13.324 1.00 0.00 O ATOM 602 CB GLU A 42 0.326 -6.460 -11.169 1.00 0.00 C ATOM 603 CG GLU A 42 -0.206 -6.752 -12.565 1.00 0.00 C ATOM 604 CD GLU A 42 -1.147 -7.941 -12.597 1.00 0.00 C ATOM 605 OE1 GLU A 42 -0.673 -9.080 -12.403 1.00 0.00 O ATOM 606 OE2 GLU A 42 -2.360 -7.732 -12.814 1.00 0.00 O ATOM 0 H GLU A 42 0.761 -4.957 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 42 2.451 -6.194 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.565 -7.406 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.467 -5.993 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.727 -5.872 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.632 -6.939 -13.237 1.00 0.00 H new ATOM 611 N LYS A 43 0.927 -3.477 -12.180 1.00 0.00 N ATOM 612 CA LYS A 43 0.856 -2.525 -13.272 1.00 0.00 C ATOM 613 C LYS A 43 2.188 -1.797 -13.526 1.00 0.00 C ATOM 614 O LYS A 43 2.577 -1.622 -14.682 1.00 0.00 O ATOM 615 CB LYS A 43 -0.320 -1.550 -13.081 1.00 0.00 C ATOM 616 CG LYS A 43 0.030 -0.216 -12.431 1.00 0.00 C ATOM 617 CD LYS A 43 -0.934 0.122 -11.307 1.00 0.00 C ATOM 618 CE LYS A 43 -0.223 0.188 -9.965 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.525 1.452 -9.237 1.00 0.00 N ATOM 0 H LYS A 43 0.419 -3.204 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 43 0.664 -3.098 -14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.767 -1.353 -14.055 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.081 -2.041 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.047 -0.255 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.007 0.574 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.414 1.079 -11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.724 -0.628 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.522 -0.663 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.853 0.107 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.319 2.060 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.306 1.948 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.799 1.232 -8.258 1.00 0.00 H new ATOM 629 N ASP A 44 2.892 -1.369 -12.475 1.00 0.00 N ATOM 630 CA ASP A 44 4.153 -0.623 -12.667 1.00 0.00 C ATOM 631 C ASP A 44 5.346 -1.217 -11.910 1.00 0.00 C ATOM 632 O ASP A 44 6.485 -0.790 -12.097 1.00 0.00 O ATOM 633 CB ASP A 44 3.970 0.836 -12.250 1.00 0.00 C ATOM 634 CG ASP A 44 5.071 1.732 -12.779 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.684 1.375 -13.807 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.323 2.790 -12.167 1.00 0.00 O ATOM 0 H ASP A 44 2.625 -1.518 -11.502 1.00 0.00 H new ATOM 0 HA ASP A 44 4.384 -0.697 -13.730 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.007 1.196 -12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.945 0.899 -11.162 1.00 0.00 H new ATOM 640 N GLY A 45 5.078 -2.192 -11.065 1.00 0.00 N ATOM 641 CA GLY A 45 6.148 -2.816 -10.300 1.00 0.00 C ATOM 642 C GLY A 45 6.601 -2.016 -9.091 1.00 0.00 C ATOM 643 O GLY A 45 7.759 -2.114 -8.685 1.00 0.00 O ATOM 0 H GLY A 45 4.146 -2.567 -10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.815 -3.799 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.003 -2.975 -10.957 1.00 0.00 H new ATOM 647 N SER A 46 5.708 -1.223 -8.509 1.00 0.00 N ATOM 648 CA SER A 46 6.067 -0.427 -7.338 1.00 0.00 C ATOM 649 C SER A 46 5.859 -1.231 -6.064 1.00 0.00 C ATOM 650 O SER A 46 4.846 -1.907 -5.908 1.00 0.00 O ATOM 651 CB SER A 46 5.238 0.858 -7.289 1.00 0.00 C ATOM 652 OG SER A 46 6.041 1.992 -7.566 1.00 0.00 O ATOM 0 H SER A 46 4.743 -1.114 -8.822 1.00 0.00 H new ATOM 0 HA SER A 46 7.121 -0.160 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.425 0.798 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.781 0.963 -6.305 1.00 0.00 H new ATOM 0 HG SER A 46 5.488 2.801 -7.531 1.00 0.00 H new ATOM 657 N LYS A 47 6.803 -1.113 -5.133 1.00 0.00 N ATOM 658 CA LYS A 47 6.723 -1.841 -3.872 1.00 0.00 C ATOM 659 C LYS A 47 6.692 -0.889 -2.690 1.00 0.00 C ATOM 660 O LYS A 47 7.317 0.170 -2.714 1.00 0.00 O ATOM 661 CB LYS A 47 7.905 -2.793 -3.699 1.00 0.00 C ATOM 662 CG LYS A 47 8.239 -3.569 -4.962 1.00 0.00 C ATOM 663 CD LYS A 47 9.740 -3.692 -5.164 1.00 0.00 C ATOM 664 CE LYS A 47 10.146 -3.274 -6.568 1.00 0.00 C ATOM 665 NZ LYS A 47 11.621 -3.334 -6.762 1.00 0.00 N ATOM 0 H LYS A 47 7.629 -0.522 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 47 5.798 -2.417 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.780 -2.222 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.682 -3.496 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.796 -4.564 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.795 -3.071 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.259 -3.072 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.050 -4.722 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.658 -3.923 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.796 -2.260 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.856 -3.041 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.086 -2.696 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.953 -4.307 -6.604 1.00 0.00 H new ATOM 675 N GLY A 48 5.959 -1.272 -1.655 1.00 0.00 N ATOM 676 CA GLY A 48 5.874 -0.457 -0.461 1.00 0.00 C ATOM 677 C GLY A 48 4.808 -0.940 0.498 1.00 0.00 C ATOM 678 O GLY A 48 3.883 -1.649 0.101 1.00 0.00 O ATOM 0 H GLY A 48 5.419 -2.137 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.840 -0.458 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.663 0.574 -0.744 1.00 0.00 H new ATOM 682 N LEU A 49 4.931 -0.563 1.764 1.00 0.00 N ATOM 683 CA LEU A 49 3.958 -0.979 2.758 1.00 0.00 C ATOM 684 C LEU A 49 2.673 -0.195 2.533 1.00 0.00 C ATOM 685 O LEU A 49 2.719 0.988 2.214 1.00 0.00 O ATOM 686 CB LEU A 49 4.501 -0.754 4.171 1.00 0.00 C ATOM 687 CG LEU A 49 5.740 -1.571 4.530 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.798 -0.682 5.164 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.368 -2.711 5.464 1.00 0.00 C ATOM 0 H LEU A 49 5.686 0.023 2.121 1.00 0.00 H new ATOM 0 HA LEU A 49 3.755 -2.045 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.737 0.304 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.713 -0.986 4.887 1.00 0.00 H new ATOM 0 HG LEU A 49 6.154 -1.996 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.674 -1.280 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.082 0.102 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.397 -0.230 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.261 -3.285 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.932 -2.306 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.643 -3.361 4.974 1.00 0.00 H new ATOM 700 N PHE A 50 1.525 -0.834 2.701 1.00 0.00 N ATOM 701 CA PHE A 50 0.236 -0.202 2.457 1.00 0.00 C ATOM 702 C PHE A 50 -0.752 -0.612 3.519 1.00 0.00 C ATOM 703 O PHE A 50 -0.601 -1.676 4.115 1.00 0.00 O ATOM 704 CB PHE A 50 -0.285 -0.618 1.074 1.00 0.00 C ATOM 705 CG PHE A 50 -0.377 -2.118 0.873 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.707 -2.852 0.394 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.557 -2.795 1.157 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.608 -4.227 0.208 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.652 -4.166 0.968 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.571 -4.876 0.496 1.00 0.00 C ATOM 0 H PHE A 50 1.460 -1.804 3.010 1.00 0.00 H new ATOM 0 HA PHE A 50 0.357 0.881 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.272 -0.181 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.370 -0.199 0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.634 -2.348 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.410 -2.247 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.456 -4.785 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.576 -4.678 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.648 -5.944 0.352 1.00 0.00 H new ATOM 719 N PRO A 51 -1.790 0.196 3.790 1.00 0.00 N ATOM 720 CA PRO A 51 -2.726 -0.200 4.808 1.00 0.00 C ATOM 721 C PRO A 51 -3.741 -1.111 4.167 1.00 0.00 C ATOM 722 O PRO A 51 -4.625 -0.697 3.438 1.00 0.00 O ATOM 723 CB PRO A 51 -3.301 1.146 5.245 1.00 0.00 C ATOM 724 CG PRO A 51 -3.133 2.070 4.067 1.00 0.00 C ATOM 725 CD PRO A 51 -2.143 1.439 3.120 1.00 0.00 C ATOM 0 HA PRO A 51 -2.326 -0.754 5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.351 1.051 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.776 1.529 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.089 2.230 3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.777 3.046 4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.583 1.257 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.271 2.075 2.965 1.00 0.00 H new ATOM 730 N SER A 52 -3.482 -2.371 4.413 1.00 0.00 N ATOM 731 CA SER A 52 -4.298 -3.450 3.856 1.00 0.00 C ATOM 732 C SER A 52 -5.805 -3.118 3.708 1.00 0.00 C ATOM 733 O SER A 52 -6.494 -3.712 2.878 1.00 0.00 O ATOM 734 CB SER A 52 -4.118 -4.721 4.691 1.00 0.00 C ATOM 735 OG SER A 52 -5.308 -5.494 4.721 1.00 0.00 O ATOM 0 H SER A 52 -2.709 -2.688 4.998 1.00 0.00 H new ATOM 0 HA SER A 52 -3.935 -3.599 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.305 -5.318 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.831 -4.453 5.708 1.00 0.00 H new ATOM 0 HG SER A 52 -5.083 -6.444 4.637 1.00 0.00 H new ATOM 740 N ASN A 53 -6.307 -2.164 4.517 1.00 0.00 N ATOM 741 CA ASN A 53 -7.715 -1.772 4.460 1.00 0.00 C ATOM 742 C ASN A 53 -8.010 -0.844 3.271 1.00 0.00 C ATOM 743 O ASN A 53 -9.167 -0.631 2.907 1.00 0.00 O ATOM 744 CB ASN A 53 -8.135 -1.106 5.776 1.00 0.00 C ATOM 745 CG ASN A 53 -7.643 0.326 5.898 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.616 0.691 5.325 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.375 1.145 6.647 1.00 0.00 N ATOM 0 H ASN A 53 -5.756 -1.658 5.211 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.301 -2.680 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.222 -1.119 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.749 -1.690 6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.092 2.118 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.219 0.800 7.104 1.00 0.00 H new ATOM 753 N TYR A 54 -6.946 -0.298 2.675 1.00 0.00 N ATOM 754 CA TYR A 54 -7.064 0.569 1.505 1.00 0.00 C ATOM 755 C TYR A 54 -7.095 -0.283 0.228 1.00 0.00 C ATOM 756 O TYR A 54 -7.271 0.235 -0.874 1.00 0.00 O ATOM 757 CB TYR A 54 -5.885 1.547 1.415 1.00 0.00 C ATOM 758 CG TYR A 54 -6.232 2.987 1.640 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.338 3.482 2.924 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.396 3.860 0.577 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.610 4.814 3.144 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.656 5.195 0.785 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.765 5.670 2.067 1.00 0.00 C ATOM 764 OH TYR A 54 -7.015 7.008 2.275 1.00 0.00 O ATOM 0 H TYR A 54 -5.987 -0.445 2.989 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.988 1.139 1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.133 1.253 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.427 1.450 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.206 2.818 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.318 3.486 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.702 5.189 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.773 5.864 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.940 7.125 2.577 1.00 0.00 H new ATOM 773 N VAL A 55 -6.922 -1.604 0.398 1.00 0.00 N ATOM 774 CA VAL A 55 -6.873 -2.531 -0.722 1.00 0.00 C ATOM 775 C VAL A 55 -7.554 -3.860 -0.403 1.00 0.00 C ATOM 776 O VAL A 55 -7.650 -4.258 0.757 1.00 0.00 O ATOM 777 CB VAL A 55 -5.409 -2.868 -1.092 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.612 -1.597 -1.333 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.751 -3.724 -0.009 1.00 0.00 C ATOM 0 H VAL A 55 -6.814 -2.047 1.311 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.390 -2.032 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.419 -3.447 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.585 -1.855 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.062 -1.035 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.616 -0.988 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.723 -3.946 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.755 -3.181 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.305 -4.656 0.105 1.00 0.00 H new ATOM 789 N SER A 56 -8.022 -4.533 -1.437 1.00 0.00 N ATOM 790 CA SER A 56 -8.643 -5.837 -1.290 1.00 0.00 C ATOM 791 C SER A 56 -7.698 -6.915 -1.823 1.00 0.00 C ATOM 792 O SER A 56 -7.191 -6.802 -2.938 1.00 0.00 O ATOM 793 CB SER A 56 -9.959 -5.873 -2.053 1.00 0.00 C ATOM 794 OG SER A 56 -10.896 -6.729 -1.425 1.00 0.00 O ATOM 0 H SER A 56 -7.983 -4.194 -2.398 1.00 0.00 H new ATOM 0 HA SER A 56 -8.843 -6.025 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.371 -4.866 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.781 -6.212 -3.073 1.00 0.00 H new ATOM 0 HG SER A 56 -11.732 -6.730 -1.937 1.00 0.00 H new ATOM 799 N LEU A 57 -7.490 -7.973 -1.038 1.00 0.00 N ATOM 800 CA LEU A 57 -6.581 -9.033 -1.469 1.00 0.00 C ATOM 801 C LEU A 57 -7.229 -9.913 -2.519 1.00 0.00 C ATOM 802 O LEU A 57 -8.345 -10.404 -2.347 1.00 0.00 O ATOM 803 CB LEU A 57 -6.115 -9.903 -0.299 1.00 0.00 C ATOM 804 CG LEU A 57 -5.230 -9.198 0.730 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.944 -10.110 1.918 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.928 -8.747 0.087 1.00 0.00 C ATOM 0 H LEU A 57 -7.925 -8.117 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.710 -8.538 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.994 -10.297 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.569 -10.757 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.765 -8.321 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.313 -9.586 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.883 -10.389 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.432 -11.008 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.309 -8.247 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.396 -9.614 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.145 -8.056 -0.728 1.00 0.00 H new ATOM 817 N GLY A 58 -6.506 -10.098 -3.607 1.00 0.00 N ATOM 818 CA GLY A 58 -6.995 -10.910 -4.695 1.00 0.00 C ATOM 819 C GLY A 58 -6.803 -12.395 -4.434 1.00 0.00 C ATOM 820 O GLY A 58 -7.176 -13.225 -5.264 1.00 0.00 O ATOM 0 H GLY A 58 -5.581 -9.696 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.054 -10.704 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.477 -10.634 -5.613 1.00 0.00 H new ATOM 824 N ASN A 59 -6.231 -12.731 -3.274 1.00 0.00 N ATOM 825 CA ASN A 59 -5.969 -14.121 -2.914 1.00 0.00 C ATOM 826 C ASN A 59 -5.215 -14.202 -1.590 1.00 0.00 C ATOM 827 O ASN A 59 -5.610 -14.944 -0.694 1.00 0.00 O ATOM 828 CB ASN A 59 -5.167 -14.827 -4.011 1.00 0.00 C ATOM 829 CG ASN A 59 -3.805 -14.201 -4.237 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.566 -13.052 -3.866 1.00 0.00 O ATOM 831 ND2 ASN A 59 -2.903 -14.958 -4.852 1.00 0.00 N ATOM 0 H ASN A 59 -5.941 -12.054 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.930 -14.623 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.040 -15.876 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.733 -14.801 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.969 -14.592 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.145 -15.905 -5.142 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -6.417 16.071 1.776 1.00 0.00 N ATOM 839 CA ALA B 7 -7.844 15.704 1.964 1.00 0.00 C ATOM 840 C ALA B 7 -8.032 14.184 1.803 1.00 0.00 C ATOM 841 O ALA B 7 -7.196 13.426 2.284 1.00 0.00 O ATOM 842 CB ALA B 7 -8.707 16.512 1.002 1.00 0.00 C ATOM 0 HA ALA B 7 -8.164 15.950 2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -9.754 16.243 1.139 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -8.576 17.576 1.201 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -8.408 16.296 -0.024 1.00 0.00 H new ATOM 850 N LYS B 6 -9.139 13.780 1.125 1.00 0.00 N ATOM 851 CA LYS B 6 -9.529 12.356 0.945 1.00 0.00 C ATOM 852 C LYS B 6 -10.940 12.154 1.494 1.00 0.00 C ATOM 853 O LYS B 6 -11.092 12.019 2.710 1.00 0.00 O ATOM 854 CB LYS B 6 -8.688 11.368 1.779 1.00 0.00 C ATOM 855 CG LYS B 6 -8.948 9.901 1.437 1.00 0.00 C ATOM 856 CD LYS B 6 -10.083 9.302 2.269 1.00 0.00 C ATOM 857 CE LYS B 6 -9.708 9.212 3.740 1.00 0.00 C ATOM 858 NZ LYS B 6 -10.630 10.007 4.596 1.00 0.00 N ATOM 0 H LYS B 6 -9.787 14.434 0.687 1.00 0.00 H new ATOM 0 HA LYS B 6 -9.408 12.163 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.631 11.586 1.627 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.898 11.528 2.837 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -9.193 9.815 0.378 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -8.037 9.325 1.602 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -10.979 9.913 2.158 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -10.326 8.308 1.893 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -9.727 8.169 4.057 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -8.687 9.568 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -10.132 10.305 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -10.951 10.847 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -11.452 9.425 4.854 1.00 0.00 H new ATOM 868 N LYS B 5 -11.979 12.140 0.672 1.00 0.00 N ATOM 869 CA LYS B 5 -13.319 11.979 1.230 1.00 0.00 C ATOM 870 C LYS B 5 -13.720 10.504 1.221 1.00 0.00 C ATOM 871 O LYS B 5 -13.378 9.771 2.146 1.00 0.00 O ATOM 872 CB LYS B 5 -14.349 12.848 0.504 1.00 0.00 C ATOM 873 CG LYS B 5 -14.135 14.340 0.696 1.00 0.00 C ATOM 874 CD LYS B 5 -14.930 15.150 -0.314 1.00 0.00 C ATOM 875 CE LYS B 5 -14.049 16.153 -1.038 1.00 0.00 C ATOM 876 NZ LYS B 5 -13.312 17.031 -0.089 1.00 0.00 N ATOM 0 H LYS B 5 -11.930 12.234 -0.343 1.00 0.00 H new ATOM 0 HA LYS B 5 -13.298 12.323 2.264 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.317 12.620 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.346 12.585 0.857 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -14.431 14.624 1.706 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -13.075 14.572 0.597 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -15.391 14.479 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.739 15.675 0.194 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -13.337 15.621 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.663 16.766 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -13.135 17.953 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -13.880 17.167 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -12.405 16.588 0.161 1.00 0.00 H new ATOM 886 N THR B 4 -14.460 10.076 0.203 1.00 0.00 N ATOM 887 CA THR B 4 -14.950 8.693 0.112 1.00 0.00 C ATOM 888 C THR B 4 -13.892 7.588 0.061 1.00 0.00 C ATOM 889 O THR B 4 -13.933 6.732 -0.822 1.00 0.00 O ATOM 890 CB THR B 4 -15.917 8.528 -1.076 1.00 0.00 C ATOM 891 OG1 THR B 4 -16.252 9.811 -1.618 1.00 0.00 O ATOM 892 CG2 THR B 4 -17.186 7.809 -0.643 1.00 0.00 C ATOM 0 H THR B 4 -14.739 10.668 -0.580 1.00 0.00 H new ATOM 0 HA THR B 4 -15.459 8.550 1.065 1.00 0.00 H new ATOM 0 HB THR B 4 -15.420 7.930 -1.840 1.00 0.00 H new ATOM 0 HG1 THR B 4 -16.866 9.697 -2.374 1.00 0.00 H new ATOM 0 HG21 THR B 4 -17.854 7.704 -1.498 1.00 0.00 H new ATOM 0 HG22 THR B 4 -16.931 6.822 -0.258 1.00 0.00 H new ATOM 0 HG23 THR B 4 -17.683 8.386 0.137 1.00 0.00 H new ATOM 900 N LYS B 3 -12.946 7.595 0.999 1.00 0.00 N ATOM 901 CA LYS B 3 -11.972 6.523 1.100 1.00 0.00 C ATOM 902 C LYS B 3 -11.531 6.377 2.555 1.00 0.00 C ATOM 903 O LYS B 3 -11.620 7.330 3.329 1.00 0.00 O ATOM 904 CB LYS B 3 -10.759 6.761 0.190 1.00 0.00 C ATOM 905 CG LYS B 3 -10.813 8.028 -0.649 1.00 0.00 C ATOM 906 CD LYS B 3 -9.664 8.068 -1.646 1.00 0.00 C ATOM 907 CE LYS B 3 -8.307 8.072 -0.963 1.00 0.00 C ATOM 908 NZ LYS B 3 -7.574 9.349 -1.195 1.00 0.00 N ATOM 0 H LYS B 3 -12.838 8.332 1.696 1.00 0.00 H new ATOM 0 HA LYS B 3 -12.444 5.600 0.764 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.862 6.793 0.809 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.654 5.907 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -11.763 8.077 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -10.766 8.902 0.001 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.732 7.206 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.757 8.958 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -8.439 7.918 0.108 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.711 7.238 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -7.132 9.662 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -6.838 9.201 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.240 10.076 -1.526 1.00 0.00 H new ATOM 918 N PRO B 2 -11.068 5.188 2.958 1.00 0.00 N ATOM 919 CA PRO B 2 -10.611 4.949 4.330 1.00 0.00 C ATOM 920 C PRO B 2 -9.390 5.797 4.658 1.00 0.00 C ATOM 921 O PRO B 2 -8.726 6.288 3.759 1.00 0.00 O ATOM 922 CB PRO B 2 -10.202 3.471 4.325 1.00 0.00 C ATOM 923 CG PRO B 2 -10.867 2.882 3.130 1.00 0.00 C ATOM 924 CD PRO B 2 -10.953 3.988 2.120 1.00 0.00 C ATOM 0 HA PRO B 2 -11.378 5.196 5.064 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.119 3.363 4.265 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.522 2.971 5.239 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.295 2.040 2.740 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.858 2.504 3.381 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.069 4.023 1.483 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -11.815 3.870 1.463 1.00 0.00 H new ATOM 929 N THR B 1 -9.117 6.002 5.937 1.00 0.00 N ATOM 930 CA THR B 1 -7.944 6.770 6.340 1.00 0.00 C ATOM 931 C THR B 1 -6.811 5.815 6.686 1.00 0.00 C ATOM 932 O THR B 1 -6.966 4.976 7.572 1.00 0.00 O ATOM 933 CB THR B 1 -8.247 7.669 7.555 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.274 8.612 7.224 1.00 0.00 O ATOM 935 CG2 THR B 1 -6.999 8.410 8.009 1.00 0.00 C ATOM 0 H THR B 1 -9.684 5.652 6.709 1.00 0.00 H new ATOM 0 HA THR B 1 -7.656 7.412 5.508 1.00 0.00 H new ATOM 0 HB THR B 1 -8.587 7.032 8.371 1.00 0.00 H new ATOM 0 HG1 THR B 1 -9.462 9.178 8.002 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.240 9.037 8.867 1.00 0.00 H new ATOM 0 HG22 THR B 1 -6.230 7.690 8.290 1.00 0.00 H new ATOM 0 HG23 THR B 1 -6.631 9.035 7.195 1.00 0.00 H new ATOM 943 N PRO B 0 -5.648 5.917 6.011 1.00 0.00 N ATOM 944 CA PRO B 0 -4.531 5.008 6.273 1.00 0.00 C ATOM 945 C PRO B 0 -4.280 4.861 7.767 1.00 0.00 C ATOM 946 O PRO B 0 -3.656 5.720 8.390 1.00 0.00 O ATOM 947 CB PRO B 0 -3.368 5.680 5.550 1.00 0.00 C ATOM 948 CG PRO B 0 -4.036 6.340 4.398 1.00 0.00 C ATOM 949 CD PRO B 0 -5.298 6.920 4.980 1.00 0.00 C ATOM 0 HA PRO B 0 -4.704 3.989 5.926 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -2.857 6.400 6.188 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.621 4.956 5.224 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.405 7.116 3.964 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.256 5.627 3.604 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -5.133 7.908 5.411 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -6.082 7.026 4.230 1.00 0.00 H new ATOM 954 N PRO B -1 -4.771 3.758 8.363 1.00 0.00 N ATOM 955 CA PRO B -1 -4.638 3.512 9.798 1.00 0.00 C ATOM 956 C PRO B -1 -3.201 3.584 10.277 1.00 0.00 C ATOM 957 O PRO B -1 -2.270 3.674 9.477 1.00 0.00 O ATOM 958 CB PRO B -1 -5.177 2.087 9.987 1.00 0.00 C ATOM 959 CG PRO B -1 -5.229 1.499 8.620 1.00 0.00 C ATOM 960 CD PRO B -1 -5.462 2.645 7.686 1.00 0.00 C ATOM 0 HA PRO B -1 -5.174 4.267 10.373 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.527 1.505 10.641 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.165 2.099 10.448 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.298 0.984 8.381 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -6.029 0.763 8.542 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -5.047 2.452 6.697 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.524 2.849 7.552 1.00 0.00 H new ATOM 965 N PRO B -2 -3.006 3.549 11.607 1.00 0.00 N ATOM 966 CA PRO B -2 -1.682 3.576 12.222 1.00 0.00 C ATOM 967 C PRO B -2 -0.672 2.767 11.420 1.00 0.00 C ATOM 968 O PRO B -2 -1.052 1.916 10.617 1.00 0.00 O ATOM 969 CB PRO B -2 -1.948 2.864 13.544 1.00 0.00 C ATOM 970 CG PRO B -2 -3.329 3.279 13.920 1.00 0.00 C ATOM 971 CD PRO B -2 -4.076 3.475 12.626 1.00 0.00 C ATOM 0 HA PRO B -2 -1.269 4.581 12.302 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -1.875 1.782 13.434 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.225 3.157 14.305 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -3.810 2.519 14.536 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.314 4.199 14.504 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.759 2.648 12.429 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.675 4.386 12.644 1.00 0.00 H new ATOM 976 N LYS B -3 0.604 3.015 11.639 1.00 0.00 N ATOM 977 CA LYS B -3 1.662 2.309 10.936 1.00 0.00 C ATOM 978 C LYS B -3 2.684 1.820 11.936 1.00 0.00 C ATOM 979 O LYS B -3 3.213 2.612 12.716 1.00 0.00 O ATOM 980 CB LYS B -3 2.342 3.231 9.923 1.00 0.00 C ATOM 981 CG LYS B -3 1.372 3.968 9.015 1.00 0.00 C ATOM 982 CD LYS B -3 1.671 5.461 8.968 1.00 0.00 C ATOM 983 CE LYS B -3 1.277 6.150 10.265 1.00 0.00 C ATOM 984 NZ LYS B -3 2.403 6.195 11.239 1.00 0.00 N ATOM 0 H LYS B -3 0.938 3.709 12.307 1.00 0.00 H new ATOM 0 HA LYS B -3 1.228 1.464 10.402 1.00 0.00 H new ATOM 0 HB2 LYS B -3 2.948 3.961 10.460 1.00 0.00 H new ATOM 0 HB3 LYS B -3 3.023 2.641 9.309 1.00 0.00 H new ATOM 0 HG2 LYS B -3 1.428 3.553 8.009 1.00 0.00 H new ATOM 0 HG3 LYS B -3 0.353 3.812 9.368 1.00 0.00 H new ATOM 0 HD2 LYS B -3 2.734 5.614 8.782 1.00 0.00 H new ATOM 0 HD3 LYS B -3 1.133 5.915 8.136 1.00 0.00 H new ATOM 0 HE2 LYS B -3 0.944 7.165 10.049 1.00 0.00 H new ATOM 0 HE3 LYS B -3 0.432 5.626 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 2.275 7.003 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 2.420 5.314 11.791 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 3.302 6.300 10.726 1.00 0.00 H new ATOM 994 N PRO B -4 2.995 0.517 11.948 1.00 0.00 N ATOM 995 CA PRO B -4 3.963 0.007 12.900 1.00 0.00 C ATOM 996 C PRO B -4 5.273 0.771 12.715 1.00 0.00 C ATOM 997 O PRO B -4 5.892 0.744 11.651 1.00 0.00 O ATOM 998 CB PRO B -4 4.035 -1.499 12.610 1.00 0.00 C ATOM 999 CG PRO B -4 2.866 -1.801 11.718 1.00 0.00 C ATOM 1000 CD PRO B -4 2.444 -0.514 11.068 1.00 0.00 C ATOM 0 HA PRO B -4 3.706 0.147 13.950 1.00 0.00 H new ATOM 0 HB2 PRO B -4 4.975 -1.759 12.124 1.00 0.00 H new ATOM 0 HB3 PRO B -4 3.983 -2.078 13.532 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.141 -2.538 10.964 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.044 -2.226 12.295 1.00 0.00 H new ATOM 0 HD2 PRO B -4 2.839 -0.429 10.056 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.359 -0.440 10.995 1.00 0.00 H new ATOM 1005 N SER B -5 5.674 1.451 13.784 1.00 0.00 N ATOM 1006 CA SER B -5 6.822 2.358 13.778 1.00 0.00 C ATOM 1007 C SER B -5 8.156 1.788 13.289 1.00 0.00 C ATOM 1008 O SER B -5 9.123 2.529 13.106 1.00 0.00 O ATOM 1009 CB SER B -5 6.943 3.035 15.143 1.00 0.00 C ATOM 1010 OG SER B -5 5.668 3.381 15.656 1.00 0.00 O ATOM 0 H SER B -5 5.208 1.389 14.689 1.00 0.00 H new ATOM 0 HA SER B -5 6.600 3.093 13.005 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.450 2.367 15.840 1.00 0.00 H new ATOM 0 HB3 SER B -5 7.558 3.930 15.055 1.00 0.00 H new ATOM 0 HG SER B -5 5.773 3.811 16.530 1.00 0.00 H new ATOM 1015 N HIS B -6 8.205 0.478 13.079 1.00 0.00 N ATOM 1016 CA HIS B -6 9.408 -0.171 12.570 1.00 0.00 C ATOM 1017 C HIS B -6 9.409 -0.193 11.033 1.00 0.00 C ATOM 1018 O HIS B -6 10.370 -0.650 10.415 1.00 0.00 O ATOM 1019 CB HIS B -6 9.517 -1.602 13.109 1.00 0.00 C ATOM 1020 CG HIS B -6 8.217 -2.347 13.145 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.272 -2.168 14.134 1.00 0.00 N ATOM 1022 CD2 HIS B -6 7.710 -3.283 12.308 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.240 -2.960 13.904 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.480 -3.646 12.802 1.00 0.00 N ATOM 0 H HIS B -6 7.425 -0.156 13.253 1.00 0.00 H new ATOM 0 HA HIS B -6 10.269 0.404 12.912 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.224 -2.157 12.493 1.00 0.00 H new ATOM 0 HB3 HIS B -6 9.931 -1.568 14.117 1.00 0.00 H new ATOM 0 HD1 HIS B -6 7.357 -1.524 14.921 1.00 0.00 H new ATOM 0 HD2 HIS B -6 8.184 -3.672 11.419 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.352 -3.034 14.514 1.00 0.00 H new ATOM 1032 N LEU B -7 8.324 0.303 10.424 1.00 0.00 N ATOM 1033 CA LEU B -7 8.246 0.302 8.962 1.00 0.00 C ATOM 1034 C LEU B -7 8.242 1.696 8.352 1.00 0.00 C ATOM 1035 O LEU B -7 7.462 1.985 7.445 1.00 0.00 O ATOM 1036 CB LEU B -7 7.046 -0.518 8.471 1.00 0.00 C ATOM 1037 CG LEU B -7 6.508 -1.594 9.412 1.00 0.00 C ATOM 1038 CD1 LEU B -7 4.993 -1.474 9.526 1.00 0.00 C ATOM 1039 CD2 LEU B -7 6.899 -2.972 8.900 1.00 0.00 C ATOM 0 H LEU B -7 7.515 0.697 10.903 1.00 0.00 H new ATOM 0 HA LEU B -7 9.162 -0.176 8.615 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.233 0.173 8.247 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.325 -0.998 7.533 1.00 0.00 H new ATOM 0 HG LEU B -7 6.942 -1.456 10.402 1.00 0.00 H new ATOM 0 HD11 LEU B -7 4.617 -2.245 10.199 1.00 0.00 H new ATOM 0 HD12 LEU B -7 4.734 -0.491 9.920 1.00 0.00 H new ATOM 0 HD13 LEU B -7 4.543 -1.600 8.541 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.512 -3.735 9.576 1.00 0.00 H new ATOM 0 HD22 LEU B -7 6.480 -3.123 7.905 1.00 0.00 H new ATOM 0 HD23 LEU B -7 7.985 -3.047 8.852 1.00 0.00 H new ATOM 1050 N LYS B -8 9.117 2.558 8.853 1.00 0.00 N ATOM 1051 CA LYS B -8 9.277 3.900 8.314 1.00 0.00 C ATOM 1052 C LYS B -8 10.637 3.983 7.630 1.00 0.00 C ATOM 1053 O LYS B -8 11.530 3.191 7.934 1.00 0.00 O ATOM 1054 CB LYS B -8 9.153 4.948 9.423 1.00 0.00 C ATOM 1055 CG LYS B -8 7.778 5.604 9.491 1.00 0.00 C ATOM 1056 CD LYS B -8 6.655 4.584 9.366 1.00 0.00 C ATOM 1057 CE LYS B -8 5.411 5.032 10.117 1.00 0.00 C ATOM 1058 NZ LYS B -8 5.367 4.477 11.499 1.00 0.00 N ATOM 0 H LYS B -8 9.732 2.348 9.639 1.00 0.00 H new ATOM 0 HA LYS B -8 8.490 4.106 7.589 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.370 4.478 10.382 1.00 0.00 H new ATOM 0 HB3 LYS B -8 9.907 5.719 9.269 1.00 0.00 H new ATOM 0 HG2 LYS B -8 7.678 6.140 10.435 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.688 6.342 8.694 1.00 0.00 H new ATOM 0 HD2 LYS B -8 6.412 4.435 8.314 1.00 0.00 H new ATOM 0 HD3 LYS B -8 6.990 3.623 9.755 1.00 0.00 H new ATOM 0 HE2 LYS B -8 5.386 6.121 10.162 1.00 0.00 H new ATOM 0 HE3 LYS B -8 4.523 4.715 9.570 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.439 4.677 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.518 3.449 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 6.113 4.918 12.074 1.00 0.00 H new ATOM 1068 N PRO B -9 10.831 4.928 6.702 1.00 0.00 N ATOM 1069 CA PRO B -9 12.099 5.032 5.979 1.00 0.00 C ATOM 1070 C PRO B -9 13.162 5.742 6.806 1.00 0.00 C ATOM 1071 O PRO B -9 12.979 6.895 7.196 1.00 0.00 O ATOM 1072 CB PRO B -9 11.692 5.832 4.746 1.00 0.00 C ATOM 1073 CG PRO B -9 10.553 6.690 5.185 1.00 0.00 C ATOM 1074 CD PRO B -9 9.855 5.951 6.297 1.00 0.00 C ATOM 0 HA PRO B -9 12.554 4.071 5.740 1.00 0.00 H new ATOM 0 HB2 PRO B -9 12.521 6.438 4.380 1.00 0.00 H new ATOM 0 HB3 PRO B -9 11.395 5.172 3.931 1.00 0.00 H new ATOM 0 HG2 PRO B -9 10.910 7.660 5.530 1.00 0.00 H new ATOM 0 HG3 PRO B -9 9.869 6.878 4.357 1.00 0.00 H new ATOM 0 HD2 PRO B -9 9.605 6.615 7.124 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.922 5.502 5.956 1.00 0.00 H new ATOM 1079 N LYS B -10 14.269 5.065 7.076 1.00 0.00 N ATOM 1080 CA LYS B -10 15.352 5.643 7.858 1.00 0.00 C ATOM 1081 C LYS B -10 14.885 5.978 9.272 1.00 0.00 C ATOM 1082 O LYS B -10 15.535 5.605 10.246 1.00 0.00 O ATOM 1083 CB LYS B -10 15.883 6.896 7.166 1.00 0.00 C ATOM 1084 CG LYS B -10 17.054 6.629 6.234 1.00 0.00 C ATOM 1085 CD LYS B -10 17.651 7.924 5.707 1.00 0.00 C ATOM 1086 CE LYS B -10 19.162 7.827 5.568 1.00 0.00 C ATOM 1087 NZ LYS B -10 19.566 6.695 4.691 1.00 0.00 N ATOM 0 H LYS B -10 14.441 4.110 6.763 1.00 0.00 H new ATOM 0 HA LYS B -10 16.154 4.909 7.931 1.00 0.00 H new ATOM 0 HB2 LYS B -10 15.075 7.356 6.597 1.00 0.00 H new ATOM 0 HB3 LYS B -10 16.190 7.617 7.924 1.00 0.00 H new ATOM 0 HG2 LYS B -10 17.820 6.062 6.763 1.00 0.00 H new ATOM 0 HG3 LYS B -10 16.722 6.013 5.398 1.00 0.00 H new ATOM 0 HD2 LYS B -10 17.210 8.161 4.739 1.00 0.00 H new ATOM 0 HD3 LYS B -10 17.399 8.743 6.381 1.00 0.00 H new ATOM 0 HE2 LYS B -10 19.550 8.760 5.159 1.00 0.00 H new ATOM 0 HE3 LYS B -10 19.610 7.701 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 20.589 6.743 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 19.338 5.795 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 19.053 6.755 3.788 1.00 0.00 H new TER 1097 LYS B -10