USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 111 GLN : amide:sc= -0.351 K(o=-0.65,f=-1.2) USER MOD Set 1.2: A 113 HIS : no HE2:sc= -0.298! C(o=-0.65!,f=-5.4!) USER MOD Set 2.1: A 2 GLN : amide:sc= -3.85! C(o=-3.1!,f=-4.5!) USER MOD Set 2.2: A 4 ASN : amide:sc= 0.762 K(o=-3.1,f=-4.7) USER MOD Single : A 1 GLU N :NH3+ -148:sc= -0.419 (180deg=-2.39!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -19:sc= 0.976 USER MOD Single : A 17 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.66! C(o=-2.7!,f=-5.9!) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00382 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 37 SER OG : rot -89:sc= 0.0381 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= 1.04 (180deg=-0.224) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 44 SER OG : rot 9:sc= 0.749 USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= 1.2 (180deg=0.12) USER MOD Single : A 46 TYR OH : rot -162:sc= 0.645 USER MOD Single : A 49 THR OG1 : rot -170:sc=0.000688 USER MOD Single : A 60 GLN : amide:sc= -0.59 K(o=-0.59,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.54 K(o=0.54,f=-3.4!) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.488 USER MOD Single : A 77 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.77) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.503! C(o=-0.5!,f=-10!) USER MOD Single : A 97 THR OG1 : rot 157:sc= -2.01! USER MOD Single : A 100 THR OG1 : rot 90:sc= -1.51 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 105 ASN : amide:sc= -1.99 K(o=-2,f=-16!) USER MOD Single : A 109 TYR OH : rot 30:sc= 1.08 USER MOD Single : A 110 GLN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 115 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.1!) USER MOD Single : A 117 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.5!) USER MOD Single : A 118 TYR OH : rot 15:sc= -0.08 USER MOD Single : A 119 GLN : amide:sc= -4.98! C(o=-5!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.028 16.590 -0.869 1.00 0.00 N ATOM 2 CA GLU A 1 3.473 15.807 -2.027 1.00 0.00 C ATOM 3 C GLU A 1 4.419 14.729 -2.622 1.00 0.00 C ATOM 4 O GLU A 1 3.963 13.830 -3.312 1.00 0.00 O ATOM 5 CB GLU A 1 3.073 16.818 -3.089 1.00 0.00 C ATOM 6 CG GLU A 1 2.060 17.827 -2.443 1.00 0.00 C ATOM 7 CD GLU A 1 1.867 18.986 -3.404 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.774 19.795 -3.395 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.846 18.952 -4.062 1.00 0.00 O ATOM 0 H1 GLU A 1 3.255 16.852 -0.225 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.723 16.009 -0.358 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.491 17.452 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 1 2.628 15.226 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.951 17.346 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.618 16.315 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.108 17.335 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.439 18.186 -1.486 1.00 0.00 H new ATOM 18 N GLN A 2 5.695 14.867 -2.344 1.00 0.00 N ATOM 19 CA GLN A 2 6.735 13.914 -2.834 1.00 0.00 C ATOM 20 C GLN A 2 7.498 13.301 -1.646 1.00 0.00 C ATOM 21 O GLN A 2 7.775 13.985 -0.675 1.00 0.00 O ATOM 22 CB GLN A 2 7.689 14.720 -3.762 1.00 0.00 C ATOM 23 CG GLN A 2 8.959 13.909 -4.161 1.00 0.00 C ATOM 24 CD GLN A 2 9.938 13.861 -2.999 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.433 12.831 -2.620 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.270 14.936 -2.378 1.00 0.00 N ATOM 0 H GLN A 2 6.067 15.629 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 2 6.285 13.087 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.151 15.014 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.991 15.638 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.677 12.897 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.435 14.367 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.876 15.832 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.928 14.893 -1.599 1.00 0.00 H new ATOM 35 N ALA A 3 7.803 12.032 -1.769 1.00 0.00 N ATOM 36 CA ALA A 3 8.559 11.338 -0.677 1.00 0.00 C ATOM 37 C ALA A 3 9.659 10.407 -1.258 1.00 0.00 C ATOM 38 O ALA A 3 9.392 9.669 -2.193 1.00 0.00 O ATOM 39 CB ALA A 3 7.544 10.544 0.136 1.00 0.00 C ATOM 0 H ALA A 3 7.564 11.450 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 3 9.071 12.065 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.055 10.021 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.802 11.223 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.049 9.818 -0.509 1.00 0.00 H new ATOM 45 N ASN A 4 10.839 10.478 -0.693 1.00 0.00 N ATOM 46 CA ASN A 4 12.004 9.642 -1.129 1.00 0.00 C ATOM 47 C ASN A 4 12.480 8.756 0.043 1.00 0.00 C ATOM 48 O ASN A 4 11.962 8.852 1.137 1.00 0.00 O ATOM 49 CB ASN A 4 13.146 10.592 -1.600 1.00 0.00 C ATOM 50 CG ASN A 4 13.513 11.630 -0.535 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.783 12.560 -0.259 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.637 11.526 0.103 1.00 0.00 N ATOM 0 H ASN A 4 11.051 11.106 0.083 1.00 0.00 H new ATOM 0 HA ASN A 4 11.714 8.989 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.028 10.002 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.838 11.103 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.886 12.214 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.272 10.756 -0.106 1.00 0.00 H new ATOM 59 N ASP A 5 13.450 7.919 -0.234 1.00 0.00 N ATOM 60 CA ASP A 5 14.058 6.977 0.769 1.00 0.00 C ATOM 61 C ASP A 5 13.045 6.327 1.747 1.00 0.00 C ATOM 62 O ASP A 5 13.214 6.354 2.953 1.00 0.00 O ATOM 63 CB ASP A 5 15.161 7.764 1.581 1.00 0.00 C ATOM 64 CG ASP A 5 16.356 8.136 0.721 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.166 9.061 -0.056 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.351 7.453 0.923 1.00 0.00 O ATOM 0 H ASP A 5 13.868 7.845 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 5 14.481 6.146 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.723 8.669 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.496 7.154 2.420 1.00 0.00 H new ATOM 71 N VAL A 6 12.007 5.742 1.217 1.00 0.00 N ATOM 72 CA VAL A 6 11.006 5.099 2.124 1.00 0.00 C ATOM 73 C VAL A 6 11.239 3.596 1.941 1.00 0.00 C ATOM 74 O VAL A 6 11.393 3.121 0.826 1.00 0.00 O ATOM 75 CB VAL A 6 9.562 5.527 1.692 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.518 4.895 2.649 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.410 7.068 1.797 1.00 0.00 C ATOM 0 H VAL A 6 11.808 5.679 0.219 1.00 0.00 H new ATOM 0 HA VAL A 6 11.111 5.389 3.169 1.00 0.00 H new ATOM 0 HB VAL A 6 9.401 5.194 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.516 5.196 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.599 3.809 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.705 5.236 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.403 7.356 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.583 7.381 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.137 7.551 1.144 1.00 0.00 H new ATOM 87 N ARG A 7 11.268 2.886 3.038 1.00 0.00 N ATOM 88 CA ARG A 7 11.491 1.411 2.961 1.00 0.00 C ATOM 89 C ARG A 7 10.148 0.709 2.666 1.00 0.00 C ATOM 90 O ARG A 7 9.252 0.621 3.485 1.00 0.00 O ATOM 91 CB ARG A 7 12.134 0.968 4.323 1.00 0.00 C ATOM 92 CG ARG A 7 11.192 1.140 5.546 1.00 0.00 C ATOM 93 CD ARG A 7 12.027 1.047 6.830 1.00 0.00 C ATOM 94 NE ARG A 7 11.113 0.573 7.922 1.00 0.00 N ATOM 95 CZ ARG A 7 11.486 -0.329 8.751 1.00 0.00 C ATOM 96 NH1 ARG A 7 11.335 -1.558 8.468 1.00 0.00 N ATOM 97 NH2 ARG A 7 11.998 0.083 9.832 1.00 0.00 N ATOM 0 H ARG A 7 11.148 3.260 3.979 1.00 0.00 H new ATOM 0 HA ARG A 7 12.168 1.133 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.432 -0.078 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.042 1.547 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.681 2.102 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.421 0.369 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.859 0.356 6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.455 2.017 7.081 1.00 0.00 H new ATOM 0 HE ARG A 7 10.180 0.976 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.916 -1.829 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.633 -2.274 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.094 1.084 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.315 -0.586 10.534 1.00 0.00 H new ATOM 111 N ALA A 8 10.061 0.225 1.458 1.00 0.00 N ATOM 112 CA ALA A 8 8.821 -0.481 1.014 1.00 0.00 C ATOM 113 C ALA A 8 9.057 -1.992 1.112 1.00 0.00 C ATOM 114 O ALA A 8 10.172 -2.459 1.066 1.00 0.00 O ATOM 115 CB ALA A 8 8.506 -0.079 -0.449 1.00 0.00 C ATOM 0 H ALA A 8 10.797 0.287 0.755 1.00 0.00 H new ATOM 0 HA ALA A 8 7.976 -0.206 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.602 -0.590 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.355 0.999 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.339 -0.362 -1.092 1.00 0.00 H new ATOM 121 N THR A 9 7.997 -2.716 1.251 1.00 0.00 N ATOM 122 CA THR A 9 8.049 -4.224 1.358 1.00 0.00 C ATOM 123 C THR A 9 6.771 -4.721 0.653 1.00 0.00 C ATOM 124 O THR A 9 6.001 -3.877 0.251 1.00 0.00 O ATOM 125 CB THR A 9 8.032 -4.653 2.852 1.00 0.00 C ATOM 126 OG1 THR A 9 6.724 -4.345 3.295 1.00 0.00 O ATOM 127 CG2 THR A 9 8.801 -3.695 3.766 1.00 0.00 C ATOM 0 H THR A 9 7.054 -2.330 1.299 1.00 0.00 H new ATOM 0 HA THR A 9 8.953 -4.636 0.910 1.00 0.00 H new ATOM 0 HB THR A 9 8.408 -5.675 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.632 -4.591 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.749 -4.053 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.843 -3.648 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.359 -2.701 3.705 1.00 0.00 H new ATOM 135 N TYR A 10 6.518 -5.991 0.497 1.00 0.00 N ATOM 136 CA TYR A 10 5.240 -6.439 -0.195 1.00 0.00 C ATOM 137 C TYR A 10 4.529 -7.512 0.677 1.00 0.00 C ATOM 138 O TYR A 10 5.215 -8.197 1.403 1.00 0.00 O ATOM 139 CB TYR A 10 5.619 -7.025 -1.594 1.00 0.00 C ATOM 140 CG TYR A 10 6.735 -8.054 -1.381 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.449 -9.377 -1.108 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.050 -7.648 -1.417 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.469 -10.279 -0.865 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.058 -8.550 -1.175 1.00 0.00 C ATOM 145 CZ TYR A 10 8.775 -9.860 -0.896 1.00 0.00 C ATOM 146 OH TYR A 10 9.809 -10.722 -0.622 1.00 0.00 O ATOM 0 H TYR A 10 7.127 -6.747 0.811 1.00 0.00 H new ATOM 0 HA TYR A 10 4.558 -5.599 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.752 -7.492 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.953 -6.232 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.422 -9.710 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.290 -6.618 -1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.238 -11.312 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.086 -8.221 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 10 10.661 -10.244 -0.695 1.00 0.00 H new ATOM 156 N HIS A 11 3.228 -7.678 0.649 1.00 0.00 N ATOM 157 CA HIS A 11 2.598 -8.754 1.516 1.00 0.00 C ATOM 158 C HIS A 11 1.328 -9.262 0.818 1.00 0.00 C ATOM 159 O HIS A 11 0.514 -8.444 0.449 1.00 0.00 O ATOM 160 CB HIS A 11 2.218 -8.184 2.907 1.00 0.00 C ATOM 161 CG HIS A 11 1.726 -9.357 3.762 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.491 -10.246 4.296 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.452 -9.742 4.138 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.776 -11.112 4.947 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.500 -10.834 4.873 1.00 0.00 N ATOM 0 H HIS A 11 2.578 -7.134 0.081 1.00 0.00 H new ATOM 0 HA HIS A 11 3.313 -9.565 1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.078 -7.703 3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.441 -7.425 2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.454 -9.221 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.184 -11.956 5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.279 -11.345 5.289 1.00 0.00 H new ATOM 173 N TYR A 12 1.140 -10.542 0.649 1.00 0.00 N ATOM 174 CA TYR A 12 -0.111 -11.004 -0.045 1.00 0.00 C ATOM 175 C TYR A 12 -1.031 -11.909 0.794 1.00 0.00 C ATOM 176 O TYR A 12 -0.588 -12.829 1.447 1.00 0.00 O ATOM 177 CB TYR A 12 0.360 -11.709 -1.348 1.00 0.00 C ATOM 178 CG TYR A 12 1.470 -12.716 -1.008 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.172 -14.003 -0.599 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.794 -12.329 -1.097 1.00 0.00 C ATOM 181 CE1 TYR A 12 2.184 -14.886 -0.284 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.797 -13.218 -0.780 1.00 0.00 C ATOM 183 CZ TYR A 12 3.490 -14.492 -0.375 1.00 0.00 C ATOM 184 OH TYR A 12 4.486 -15.382 -0.061 1.00 0.00 O ATOM 0 H TYR A 12 1.778 -11.278 0.951 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.744 -10.139 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.478 -12.220 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.728 -10.972 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.142 -14.318 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.042 -11.327 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.944 -15.890 0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.830 -12.911 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 12 5.358 -14.951 -0.177 1.00 0.00 H new ATOM 194 N TYR A 13 -2.296 -11.596 0.740 1.00 0.00 N ATOM 195 CA TYR A 13 -3.340 -12.370 1.486 1.00 0.00 C ATOM 196 C TYR A 13 -4.291 -12.978 0.451 1.00 0.00 C ATOM 197 O TYR A 13 -4.196 -14.140 0.117 1.00 0.00 O ATOM 198 CB TYR A 13 -4.068 -11.377 2.474 1.00 0.00 C ATOM 199 CG TYR A 13 -4.238 -9.957 1.881 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.126 -9.135 1.789 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.456 -9.470 1.429 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.226 -7.861 1.259 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.542 -8.202 0.904 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.437 -7.401 0.818 1.00 0.00 C ATOM 205 OH TYR A 13 -4.604 -6.153 0.273 1.00 0.00 O ATOM 0 H TYR A 13 -2.663 -10.815 0.196 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.922 -13.182 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.049 -11.779 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.499 -11.313 3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.168 -9.494 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.339 -10.089 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.351 -7.231 1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.495 -7.834 0.555 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.851 -5.581 0.529 1.00 0.00 H new ATOM 215 N ARG A 14 -5.191 -12.190 -0.056 1.00 0.00 N ATOM 216 CA ARG A 14 -6.166 -12.685 -1.084 1.00 0.00 C ATOM 217 C ARG A 14 -6.159 -11.672 -2.256 1.00 0.00 C ATOM 218 O ARG A 14 -7.002 -10.803 -2.291 1.00 0.00 O ATOM 219 CB ARG A 14 -7.557 -12.807 -0.391 1.00 0.00 C ATOM 220 CG ARG A 14 -7.581 -14.044 0.561 1.00 0.00 C ATOM 221 CD ARG A 14 -8.873 -13.991 1.398 1.00 0.00 C ATOM 222 NE ARG A 14 -9.207 -15.370 1.919 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.413 -16.043 2.657 1.00 0.00 C ATOM 224 NH1 ARG A 14 -8.411 -15.809 3.906 1.00 0.00 N ATOM 225 NH2 ARG A 14 -7.684 -16.903 2.080 1.00 0.00 N ATOM 0 H ARG A 14 -5.301 -11.208 0.196 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.908 -13.664 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.770 -11.900 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.339 -12.904 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.541 -14.967 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.707 -14.038 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.749 -13.299 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.695 -13.614 0.790 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.107 -15.781 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.033 -15.099 4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.787 -16.331 4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.749 -17.031 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.032 -17.467 2.625 1.00 0.00 H new ATOM 239 N PRO A 15 -5.197 -11.792 -3.155 1.00 0.00 N ATOM 240 CA PRO A 15 -5.125 -10.982 -4.416 1.00 0.00 C ATOM 241 C PRO A 15 -6.009 -11.504 -5.565 1.00 0.00 C ATOM 242 O PRO A 15 -6.947 -12.237 -5.319 1.00 0.00 O ATOM 243 CB PRO A 15 -3.636 -10.981 -4.796 1.00 0.00 C ATOM 244 CG PRO A 15 -2.930 -12.022 -3.859 1.00 0.00 C ATOM 245 CD PRO A 15 -4.033 -12.716 -3.026 1.00 0.00 C ATOM 0 HA PRO A 15 -5.521 -9.981 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.504 -11.252 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.204 -9.989 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.375 -12.753 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.211 -11.526 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.263 -13.709 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.732 -12.841 -1.986 1.00 0.00 H new ATOM 253 N ALA A 16 -5.689 -11.088 -6.778 1.00 0.00 N ATOM 254 CA ALA A 16 -6.413 -11.481 -8.039 1.00 0.00 C ATOM 255 C ALA A 16 -7.056 -12.891 -7.987 1.00 0.00 C ATOM 256 O ALA A 16 -8.014 -13.156 -8.680 1.00 0.00 O ATOM 257 CB ALA A 16 -5.390 -11.330 -9.181 1.00 0.00 C ATOM 0 H ALA A 16 -4.908 -10.455 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.275 -10.831 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.858 -11.602 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.049 -10.296 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.539 -11.985 -8.996 1.00 0.00 H new ATOM 263 N GLN A 17 -6.488 -13.748 -7.177 1.00 0.00 N ATOM 264 CA GLN A 17 -6.988 -15.151 -6.971 1.00 0.00 C ATOM 265 C GLN A 17 -8.515 -15.076 -6.700 1.00 0.00 C ATOM 266 O GLN A 17 -9.294 -15.836 -7.231 1.00 0.00 O ATOM 267 CB GLN A 17 -6.253 -15.754 -5.757 1.00 0.00 C ATOM 268 CG GLN A 17 -4.772 -16.068 -6.108 1.00 0.00 C ATOM 269 CD GLN A 17 -4.724 -17.156 -7.176 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.203 -18.248 -6.990 1.00 0.00 O ATOM 271 NE2 GLN A 17 -4.165 -16.931 -8.318 1.00 0.00 N ATOM 0 H GLN A 17 -5.661 -13.525 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.803 -15.776 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.293 -15.058 -4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.757 -16.666 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.273 -15.168 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.237 -16.394 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.749 -16.020 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.139 -17.664 -9.026 1.00 0.00 H new ATOM 280 N ASN A 18 -8.898 -14.135 -5.870 1.00 0.00 N ATOM 281 CA ASN A 18 -10.333 -13.907 -5.497 1.00 0.00 C ATOM 282 C ASN A 18 -10.628 -12.561 -6.233 1.00 0.00 C ATOM 283 O ASN A 18 -11.252 -11.651 -5.719 1.00 0.00 O ATOM 284 CB ASN A 18 -10.400 -13.754 -3.959 1.00 0.00 C ATOM 285 CG ASN A 18 -11.717 -14.265 -3.363 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.014 -15.437 -3.366 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.566 -13.461 -2.823 1.00 0.00 N ATOM 0 H ASN A 18 -8.249 -13.491 -5.418 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.038 -14.694 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.569 -14.297 -3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.273 -12.703 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.433 -13.825 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.371 -12.460 -2.790 1.00 0.00 H new ATOM 294 N ASN A 19 -10.130 -12.504 -7.451 1.00 0.00 N ATOM 295 CA ASN A 19 -10.276 -11.313 -8.353 1.00 0.00 C ATOM 296 C ASN A 19 -9.973 -10.071 -7.487 1.00 0.00 C ATOM 297 O ASN A 19 -10.590 -9.044 -7.704 1.00 0.00 O ATOM 298 CB ASN A 19 -11.721 -11.419 -8.842 1.00 0.00 C ATOM 299 CG ASN A 19 -12.180 -10.419 -9.876 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.715 -9.318 -10.057 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.164 -10.772 -10.627 1.00 0.00 N ATOM 0 H ASN A 19 -9.605 -13.271 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.610 -11.253 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.865 -12.418 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.377 -11.333 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.518 -10.132 -11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.589 -11.692 -10.511 1.00 0.00 H new ATOM 308 N TRP A 20 -9.044 -10.238 -6.558 1.00 0.00 N ATOM 309 CA TRP A 20 -8.584 -9.205 -5.578 1.00 0.00 C ATOM 310 C TRP A 20 -9.702 -8.203 -5.224 1.00 0.00 C ATOM 311 O TRP A 20 -9.491 -7.043 -4.939 1.00 0.00 O ATOM 312 CB TRP A 20 -7.325 -8.452 -6.113 1.00 0.00 C ATOM 313 CG TRP A 20 -7.222 -7.763 -7.495 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.212 -7.383 -8.348 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.026 -7.368 -8.008 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.558 -6.776 -9.324 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.255 -6.725 -9.191 1.00 0.00 C ATOM 318 CE3 TRP A 20 -4.712 -7.485 -7.573 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.248 -6.204 -9.932 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -3.679 -6.955 -8.337 1.00 0.00 C ATOM 321 CH2 TRP A 20 -3.952 -6.314 -9.517 1.00 0.00 C ATOM 0 H TRP A 20 -8.556 -11.126 -6.443 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.315 -9.731 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -7.103 -7.680 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.508 -9.172 -6.076 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.276 -7.540 -8.251 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.037 -6.373 -10.129 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.493 -7.987 -6.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.472 -5.697 -10.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.657 -7.049 -7.999 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.151 -5.901 -10.112 1.00 0.00 H new ATOM 332 N ASP A 21 -10.912 -8.697 -5.228 1.00 0.00 N ATOM 333 CA ASP A 21 -12.036 -7.794 -4.904 1.00 0.00 C ATOM 334 C ASP A 21 -11.905 -7.073 -3.549 1.00 0.00 C ATOM 335 O ASP A 21 -11.914 -7.660 -2.484 1.00 0.00 O ATOM 336 CB ASP A 21 -13.350 -8.629 -4.968 1.00 0.00 C ATOM 337 CG ASP A 21 -14.479 -7.815 -4.339 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.558 -6.636 -4.652 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.184 -8.433 -3.572 1.00 0.00 O ATOM 0 H ASP A 21 -11.160 -9.664 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.039 -6.989 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.592 -8.874 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.224 -9.573 -4.438 1.00 0.00 H new ATOM 344 N LEU A 22 -11.792 -5.778 -3.641 1.00 0.00 N ATOM 345 CA LEU A 22 -11.666 -4.927 -2.435 1.00 0.00 C ATOM 346 C LEU A 22 -12.935 -4.991 -1.575 1.00 0.00 C ATOM 347 O LEU A 22 -12.960 -4.407 -0.509 1.00 0.00 O ATOM 348 CB LEU A 22 -11.409 -3.536 -2.920 1.00 0.00 C ATOM 349 CG LEU A 22 -10.167 -3.481 -3.799 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.118 -2.055 -4.283 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.910 -3.782 -3.011 1.00 0.00 C ATOM 0 H LEU A 22 -11.782 -5.266 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.851 -5.273 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.272 -3.179 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.285 -2.868 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.216 -4.217 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.250 -1.919 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.025 -1.830 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.043 -1.383 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.045 -3.733 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.797 -3.049 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.981 -4.781 -2.580 1.00 0.00 H new ATOM 363 N GLY A 23 -13.916 -5.686 -2.101 1.00 0.00 N ATOM 364 CA GLY A 23 -15.247 -5.910 -1.449 1.00 0.00 C ATOM 365 C GLY A 23 -15.182 -7.231 -0.654 1.00 0.00 C ATOM 366 O GLY A 23 -15.984 -7.458 0.227 1.00 0.00 O ATOM 0 H GLY A 23 -13.840 -6.134 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.489 -5.080 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.035 -5.958 -2.201 1.00 0.00 H new ATOM 370 N ALA A 24 -14.236 -8.079 -0.977 1.00 0.00 N ATOM 371 CA ALA A 24 -14.069 -9.389 -0.273 1.00 0.00 C ATOM 372 C ALA A 24 -14.043 -9.228 1.304 1.00 0.00 C ATOM 373 O ALA A 24 -13.331 -8.400 1.858 1.00 0.00 O ATOM 374 CB ALA A 24 -12.750 -10.020 -0.854 1.00 0.00 C ATOM 0 H ALA A 24 -13.555 -7.913 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.919 -10.048 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.568 -10.984 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.857 -10.159 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.910 -9.354 -0.656 1.00 0.00 H new ATOM 380 N PRO A 25 -14.839 -10.041 1.974 1.00 0.00 N ATOM 381 CA PRO A 25 -15.251 -9.821 3.396 1.00 0.00 C ATOM 382 C PRO A 25 -14.205 -9.197 4.347 1.00 0.00 C ATOM 383 O PRO A 25 -14.464 -8.210 5.005 1.00 0.00 O ATOM 384 CB PRO A 25 -15.719 -11.217 3.894 1.00 0.00 C ATOM 385 CG PRO A 25 -15.541 -12.186 2.691 1.00 0.00 C ATOM 386 CD PRO A 25 -15.430 -11.297 1.437 1.00 0.00 C ATOM 0 HA PRO A 25 -16.027 -9.056 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.127 -11.544 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.759 -11.186 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.648 -12.799 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.388 -12.868 2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.795 -11.749 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.403 -11.122 0.978 1.00 0.00 H new ATOM 394 N ALA A 26 -13.042 -9.793 4.392 1.00 0.00 N ATOM 395 CA ALA A 26 -11.943 -9.294 5.284 1.00 0.00 C ATOM 396 C ALA A 26 -10.986 -8.241 4.653 1.00 0.00 C ATOM 397 O ALA A 26 -9.828 -8.174 5.019 1.00 0.00 O ATOM 398 CB ALA A 26 -11.171 -10.578 5.756 1.00 0.00 C ATOM 0 H ALA A 26 -12.800 -10.617 3.842 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.384 -8.735 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.351 -10.289 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.853 -11.235 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.772 -11.102 4.888 1.00 0.00 H new ATOM 404 N VAL A 27 -11.487 -7.463 3.729 1.00 0.00 N ATOM 405 CA VAL A 27 -10.638 -6.413 3.069 1.00 0.00 C ATOM 406 C VAL A 27 -11.246 -5.009 3.207 1.00 0.00 C ATOM 407 O VAL A 27 -10.691 -4.098 3.787 1.00 0.00 O ATOM 408 CB VAL A 27 -10.508 -6.712 1.560 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.386 -5.859 0.975 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.145 -8.173 1.311 1.00 0.00 C ATOM 0 H VAL A 27 -12.451 -7.506 3.398 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.668 -6.437 3.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.468 -6.491 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.289 -6.066 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.618 -4.804 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.448 -6.097 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.061 -8.349 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.193 -8.398 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.921 -8.816 1.725 1.00 0.00 H new ATOM 420 N SER A 28 -12.416 -4.976 2.623 1.00 0.00 N ATOM 421 CA SER A 28 -13.285 -3.764 2.549 1.00 0.00 C ATOM 422 C SER A 28 -12.533 -2.400 2.513 1.00 0.00 C ATOM 423 O SER A 28 -12.493 -1.616 3.443 1.00 0.00 O ATOM 424 CB SER A 28 -14.322 -3.803 3.752 1.00 0.00 C ATOM 425 OG SER A 28 -13.664 -4.258 4.933 1.00 0.00 O ATOM 0 H SER A 28 -12.826 -5.792 2.168 1.00 0.00 H new ATOM 0 HA SER A 28 -13.792 -3.812 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.742 -2.811 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.153 -4.465 3.508 1.00 0.00 H new ATOM 0 HG SER A 28 -14.303 -4.280 5.676 1.00 0.00 H new ATOM 431 N ALA A 29 -11.961 -2.164 1.359 1.00 0.00 N ATOM 432 CA ALA A 29 -11.179 -0.896 1.136 1.00 0.00 C ATOM 433 C ALA A 29 -11.948 0.337 0.595 1.00 0.00 C ATOM 434 O ALA A 29 -12.833 0.228 -0.230 1.00 0.00 O ATOM 435 CB ALA A 29 -10.044 -1.225 0.174 1.00 0.00 C ATOM 0 H ALA A 29 -11.999 -2.792 0.556 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.857 -0.583 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.453 -0.328 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.408 -1.994 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.458 -1.589 -0.766 1.00 0.00 H new ATOM 441 N TYR A 30 -11.569 1.496 1.073 1.00 0.00 N ATOM 442 CA TYR A 30 -12.220 2.791 0.638 1.00 0.00 C ATOM 443 C TYR A 30 -12.856 2.886 -0.756 1.00 0.00 C ATOM 444 O TYR A 30 -14.059 3.036 -0.865 1.00 0.00 O ATOM 445 CB TYR A 30 -11.196 3.956 0.744 1.00 0.00 C ATOM 446 CG TYR A 30 -11.708 5.030 1.715 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.953 5.603 1.489 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.961 5.460 2.789 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.436 6.593 2.325 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.450 6.451 3.619 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.682 7.019 3.393 1.00 0.00 C ATOM 452 OH TYR A 30 -13.146 8.005 4.235 1.00 0.00 O ATOM 0 H TYR A 30 -10.823 1.611 1.759 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.062 2.847 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.235 3.574 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.031 4.395 -0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.550 5.272 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.993 5.023 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.405 7.032 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.856 6.784 4.457 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.481 8.177 4.934 1.00 0.00 H new ATOM 462 N CYS A 31 -12.054 2.786 -1.785 1.00 0.00 N ATOM 463 CA CYS A 31 -12.686 2.887 -3.134 1.00 0.00 C ATOM 464 C CYS A 31 -13.118 1.522 -3.697 1.00 0.00 C ATOM 465 O CYS A 31 -13.175 1.299 -4.892 1.00 0.00 O ATOM 466 CB CYS A 31 -11.670 3.618 -4.054 1.00 0.00 C ATOM 467 SG CYS A 31 -12.451 4.946 -5.006 1.00 0.00 S ATOM 0 H CYS A 31 -11.044 2.646 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.616 3.452 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.864 4.032 -3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.218 2.900 -4.738 1.00 0.00 H new ATOM 472 N ALA A 32 -13.443 0.611 -2.814 1.00 0.00 N ATOM 473 CA ALA A 32 -13.884 -0.739 -3.282 1.00 0.00 C ATOM 474 C ALA A 32 -15.223 -0.548 -4.006 1.00 0.00 C ATOM 475 O ALA A 32 -15.418 -1.090 -5.076 1.00 0.00 O ATOM 476 CB ALA A 32 -14.039 -1.664 -2.058 1.00 0.00 C ATOM 0 H ALA A 32 -13.423 0.740 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.161 -1.195 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.361 -2.652 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.083 -1.747 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.783 -1.248 -1.379 1.00 0.00 H new ATOM 482 N THR A 33 -16.071 0.219 -3.371 1.00 0.00 N ATOM 483 CA THR A 33 -17.444 0.551 -3.893 1.00 0.00 C ATOM 484 C THR A 33 -17.450 1.150 -5.308 1.00 0.00 C ATOM 485 O THR A 33 -18.443 1.074 -6.009 1.00 0.00 O ATOM 486 CB THR A 33 -18.109 1.551 -2.938 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.064 0.873 -1.695 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.610 1.663 -3.153 1.00 0.00 C ATOM 0 H THR A 33 -15.863 0.651 -2.471 1.00 0.00 H new ATOM 0 HA THR A 33 -17.989 -0.392 -3.948 1.00 0.00 H new ATOM 0 HB THR A 33 -17.628 2.524 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.469 1.434 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.025 2.384 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.808 1.995 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.074 0.690 -2.992 1.00 0.00 H new ATOM 496 N TRP A 34 -16.332 1.728 -5.670 1.00 0.00 N ATOM 497 CA TRP A 34 -16.169 2.373 -7.018 1.00 0.00 C ATOM 498 C TRP A 34 -15.142 1.754 -7.982 1.00 0.00 C ATOM 499 O TRP A 34 -15.301 1.928 -9.178 1.00 0.00 O ATOM 500 CB TRP A 34 -15.881 3.852 -6.701 1.00 0.00 C ATOM 501 CG TRP A 34 -17.158 4.378 -6.021 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.432 4.304 -6.518 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.197 4.966 -4.819 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.150 4.859 -5.559 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.490 5.288 -4.494 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.160 5.252 -3.962 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.750 5.901 -3.291 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.416 5.869 -2.752 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.719 6.193 -2.419 1.00 0.00 C ATOM 0 H TRP A 34 -15.504 1.783 -5.077 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.078 2.216 -7.598 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.016 3.952 -6.045 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.659 4.413 -7.609 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -18.766 3.894 -7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.163 4.953 -5.635 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.147 4.995 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.766 6.156 -3.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.607 6.096 -2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.931 6.675 -1.476 1.00 0.00 H new ATOM 520 N ASP A 35 -14.125 1.085 -7.504 1.00 0.00 N ATOM 521 CA ASP A 35 -13.113 0.449 -8.402 1.00 0.00 C ATOM 522 C ASP A 35 -13.256 -1.076 -8.468 1.00 0.00 C ATOM 523 O ASP A 35 -12.974 -1.648 -9.504 1.00 0.00 O ATOM 524 CB ASP A 35 -11.701 0.863 -7.902 1.00 0.00 C ATOM 525 CG ASP A 35 -11.138 2.006 -8.736 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.761 2.386 -9.710 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.076 2.421 -8.334 1.00 0.00 O ATOM 0 H ASP A 35 -13.949 0.950 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.273 0.800 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.756 1.165 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.029 0.007 -7.952 1.00 0.00 H new ATOM 532 N ALA A 36 -13.696 -1.720 -7.406 1.00 0.00 N ATOM 533 CA ALA A 36 -13.851 -3.217 -7.450 1.00 0.00 C ATOM 534 C ALA A 36 -14.905 -3.588 -8.533 1.00 0.00 C ATOM 535 O ALA A 36 -15.054 -4.717 -8.961 1.00 0.00 O ATOM 536 CB ALA A 36 -14.303 -3.680 -6.078 1.00 0.00 C ATOM 0 H ALA A 36 -13.952 -1.281 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.910 -3.703 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.424 -4.763 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.556 -3.400 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.255 -3.210 -5.831 1.00 0.00 H new ATOM 542 N SER A 37 -15.606 -2.561 -8.951 1.00 0.00 N ATOM 543 CA SER A 37 -16.681 -2.658 -9.994 1.00 0.00 C ATOM 544 C SER A 37 -16.084 -2.507 -11.402 1.00 0.00 C ATOM 545 O SER A 37 -16.764 -2.776 -12.374 1.00 0.00 O ATOM 546 CB SER A 37 -17.730 -1.538 -9.789 1.00 0.00 C ATOM 547 OG SER A 37 -17.113 -0.350 -10.286 1.00 0.00 O ATOM 0 H SER A 37 -15.470 -1.615 -8.595 1.00 0.00 H new ATOM 0 HA SER A 37 -17.152 -3.636 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.651 -1.758 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.994 -1.434 -8.737 1.00 0.00 H new ATOM 0 HG SER A 37 -16.613 0.085 -9.564 1.00 0.00 H new ATOM 553 N LYS A 38 -14.846 -2.085 -11.512 1.00 0.00 N ATOM 554 CA LYS A 38 -14.247 -1.937 -12.869 1.00 0.00 C ATOM 555 C LYS A 38 -13.822 -3.359 -13.280 1.00 0.00 C ATOM 556 O LYS A 38 -13.512 -4.199 -12.447 1.00 0.00 O ATOM 557 CB LYS A 38 -13.002 -0.974 -12.804 1.00 0.00 C ATOM 558 CG LYS A 38 -13.359 0.523 -13.085 1.00 0.00 C ATOM 559 CD LYS A 38 -14.564 0.923 -12.205 1.00 0.00 C ATOM 560 CE LYS A 38 -14.803 2.421 -12.120 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.809 2.969 -11.156 1.00 0.00 N ATOM 0 H LYS A 38 -14.236 -1.841 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.944 -1.505 -13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.543 -1.052 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.258 -1.305 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.504 1.162 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.599 0.662 -14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.461 0.445 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.410 0.533 -11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.687 2.886 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.819 2.631 -11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.575 3.948 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.211 2.954 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.946 2.388 -11.179 1.00 0.00 H new ATOM 575 N PRO A 39 -13.824 -3.606 -14.570 1.00 0.00 N ATOM 576 CA PRO A 39 -13.458 -4.944 -15.119 1.00 0.00 C ATOM 577 C PRO A 39 -12.061 -5.441 -14.679 1.00 0.00 C ATOM 578 O PRO A 39 -11.412 -4.874 -13.816 1.00 0.00 O ATOM 579 CB PRO A 39 -13.633 -4.749 -16.655 1.00 0.00 C ATOM 580 CG PRO A 39 -13.442 -3.224 -16.857 1.00 0.00 C ATOM 581 CD PRO A 39 -14.173 -2.631 -15.648 1.00 0.00 C ATOM 0 HA PRO A 39 -14.085 -5.749 -14.736 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.897 -5.323 -17.218 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.617 -5.077 -16.991 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.388 -2.946 -16.870 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.873 -2.883 -17.798 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.828 -1.624 -15.415 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.249 -2.570 -15.811 1.00 0.00 H new ATOM 589 N LEU A 40 -11.616 -6.511 -15.278 1.00 0.00 N ATOM 590 CA LEU A 40 -10.282 -7.025 -14.889 1.00 0.00 C ATOM 591 C LEU A 40 -9.172 -6.225 -15.579 1.00 0.00 C ATOM 592 O LEU A 40 -8.325 -5.697 -14.892 1.00 0.00 O ATOM 593 CB LEU A 40 -10.270 -8.517 -15.260 1.00 0.00 C ATOM 594 CG LEU A 40 -10.746 -9.439 -14.089 1.00 0.00 C ATOM 595 CD1 LEU A 40 -9.827 -9.292 -12.849 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.183 -9.104 -13.676 1.00 0.00 C ATOM 0 H LEU A 40 -12.106 -7.037 -16.001 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.094 -6.912 -13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.913 -8.676 -16.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.261 -8.805 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.700 -10.465 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.184 -9.945 -12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.808 -9.570 -13.117 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.843 -8.258 -12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.489 -9.759 -12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.234 -8.066 -13.347 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.849 -9.248 -14.527 1.00 0.00 H new ATOM 608 N SER A 41 -9.193 -6.142 -16.889 1.00 0.00 N ATOM 609 CA SER A 41 -8.135 -5.370 -17.647 1.00 0.00 C ATOM 610 C SER A 41 -7.646 -4.142 -16.869 1.00 0.00 C ATOM 611 O SER A 41 -6.579 -4.165 -16.286 1.00 0.00 O ATOM 612 CB SER A 41 -8.719 -4.927 -19.016 1.00 0.00 C ATOM 613 OG SER A 41 -7.792 -3.937 -19.462 1.00 0.00 O ATOM 0 H SER A 41 -9.902 -6.578 -17.478 1.00 0.00 H new ATOM 0 HA SER A 41 -7.275 -6.024 -17.791 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.784 -5.761 -19.715 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.724 -4.519 -18.912 1.00 0.00 H new ATOM 0 HG SER A 41 -8.077 -3.591 -20.334 1.00 0.00 H new ATOM 619 N TRP A 42 -8.483 -3.139 -16.900 1.00 0.00 N ATOM 620 CA TRP A 42 -8.203 -1.842 -16.203 1.00 0.00 C ATOM 621 C TRP A 42 -7.552 -2.084 -14.833 1.00 0.00 C ATOM 622 O TRP A 42 -6.465 -1.620 -14.542 1.00 0.00 O ATOM 623 CB TRP A 42 -9.538 -1.091 -16.048 1.00 0.00 C ATOM 624 CG TRP A 42 -9.289 0.272 -15.399 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.832 1.343 -16.092 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.469 0.621 -14.097 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.764 2.276 -15.172 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.119 1.947 -13.954 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.919 -0.066 -12.983 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.201 2.588 -12.752 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.009 0.571 -11.759 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.645 1.901 -11.655 1.00 0.00 C ATOM 0 H TRP A 42 -9.376 -3.163 -17.393 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.503 -1.247 -16.789 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.008 -0.960 -17.023 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.227 -1.675 -15.438 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.585 1.412 -17.141 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.448 3.220 -15.396 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.201 -1.105 -13.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.918 3.627 -12.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.361 0.034 -10.891 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.712 2.402 -10.700 1.00 0.00 H new ATOM 643 N ARG A 43 -8.266 -2.835 -14.038 1.00 0.00 N ATOM 644 CA ARG A 43 -7.751 -3.148 -12.673 1.00 0.00 C ATOM 645 C ARG A 43 -6.357 -3.767 -12.687 1.00 0.00 C ATOM 646 O ARG A 43 -5.517 -3.347 -11.919 1.00 0.00 O ATOM 647 CB ARG A 43 -8.739 -4.098 -11.963 1.00 0.00 C ATOM 648 CG ARG A 43 -9.967 -3.261 -11.562 1.00 0.00 C ATOM 649 CD ARG A 43 -10.775 -3.939 -10.470 1.00 0.00 C ATOM 650 NE ARG A 43 -11.456 -5.136 -11.055 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.928 -6.018 -10.259 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.197 -6.946 -9.812 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.141 -5.877 -9.959 1.00 0.00 N ATOM 0 H ARG A 43 -9.172 -3.241 -14.270 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.668 -2.205 -12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.029 -4.915 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.276 -4.548 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.642 -2.279 -11.218 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.599 -3.100 -12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.125 -4.238 -9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.511 -3.248 -10.059 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.542 -5.246 -12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.216 -6.999 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.588 -7.642 -9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.675 -5.099 -10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.591 -6.541 -9.329 1.00 0.00 H new ATOM 667 N SER A 44 -6.122 -4.744 -13.517 1.00 0.00 N ATOM 668 CA SER A 44 -4.752 -5.372 -13.563 1.00 0.00 C ATOM 669 C SER A 44 -3.751 -4.486 -14.352 1.00 0.00 C ATOM 670 O SER A 44 -2.556 -4.615 -14.193 1.00 0.00 O ATOM 671 CB SER A 44 -4.902 -6.790 -14.202 1.00 0.00 C ATOM 672 OG SER A 44 -5.639 -6.665 -15.420 1.00 0.00 O ATOM 0 H SER A 44 -6.805 -5.139 -14.163 1.00 0.00 H new ATOM 0 HA SER A 44 -4.344 -5.463 -12.556 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.921 -7.223 -14.396 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.417 -7.462 -13.515 1.00 0.00 H new ATOM 0 HG SER A 44 -5.746 -5.716 -15.642 1.00 0.00 H new ATOM 678 N LYS A 45 -4.290 -3.612 -15.170 1.00 0.00 N ATOM 679 CA LYS A 45 -3.522 -2.639 -16.043 1.00 0.00 C ATOM 680 C LYS A 45 -2.885 -1.538 -15.175 1.00 0.00 C ATOM 681 O LYS A 45 -1.710 -1.234 -15.264 1.00 0.00 O ATOM 682 CB LYS A 45 -4.503 -1.999 -17.044 1.00 0.00 C ATOM 683 CG LYS A 45 -3.741 -1.111 -18.059 1.00 0.00 C ATOM 684 CD LYS A 45 -4.752 -0.167 -18.778 1.00 0.00 C ATOM 685 CE LYS A 45 -4.797 1.226 -18.112 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.816 2.040 -18.850 1.00 0.00 N ATOM 0 H LYS A 45 -5.300 -3.524 -15.279 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.731 -3.169 -16.574 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.051 -2.778 -17.574 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.239 -1.399 -16.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.979 -0.524 -17.546 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.225 -1.734 -18.789 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.471 -0.062 -19.826 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.746 -0.614 -18.758 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.064 1.140 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.819 1.704 -18.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.386 2.582 -18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.334 2.695 -19.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.436 1.408 -19.395 1.00 0.00 H new ATOM 700 N TYR A 46 -3.714 -0.961 -14.355 1.00 0.00 N ATOM 701 CA TYR A 46 -3.322 0.126 -13.407 1.00 0.00 C ATOM 702 C TYR A 46 -3.330 -0.424 -12.000 1.00 0.00 C ATOM 703 O TYR A 46 -4.391 -0.729 -11.494 1.00 0.00 O ATOM 704 CB TYR A 46 -4.315 1.358 -13.429 1.00 0.00 C ATOM 705 CG TYR A 46 -3.611 2.672 -13.828 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.410 2.969 -13.210 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.121 3.575 -14.748 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.734 4.132 -13.501 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.432 4.753 -15.037 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.233 5.028 -14.410 1.00 0.00 C ATOM 711 OH TYR A 46 -1.514 6.172 -14.684 1.00 0.00 O ATOM 0 H TYR A 46 -4.701 -1.211 -14.299 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.336 0.471 -13.719 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.126 1.156 -14.129 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.767 1.475 -12.444 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.997 2.279 -12.489 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.057 3.365 -15.244 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.797 4.341 -13.006 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.838 5.452 -15.753 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.099 6.831 -15.113 1.00 0.00 H new ATOM 721 N GLY A 47 -2.164 -0.542 -11.415 1.00 0.00 N ATOM 722 CA GLY A 47 -2.068 -1.074 -10.002 1.00 0.00 C ATOM 723 C GLY A 47 -3.004 -0.306 -9.055 1.00 0.00 C ATOM 724 O GLY A 47 -3.611 0.661 -9.447 1.00 0.00 O ATOM 0 H GLY A 47 -1.272 -0.296 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.324 -2.133 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.040 -0.991 -9.648 1.00 0.00 H new ATOM 728 N TRP A 48 -3.098 -0.721 -7.824 1.00 0.00 N ATOM 729 CA TRP A 48 -4.005 -0.036 -6.804 1.00 0.00 C ATOM 730 C TRP A 48 -3.652 -0.267 -5.319 1.00 0.00 C ATOM 731 O TRP A 48 -4.308 -0.978 -4.593 1.00 0.00 O ATOM 732 CB TRP A 48 -5.474 -0.495 -7.170 1.00 0.00 C ATOM 733 CG TRP A 48 -5.669 -1.989 -6.897 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.621 -2.789 -6.640 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.812 -2.709 -6.842 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.166 -3.957 -6.436 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.472 -4.002 -6.535 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.147 -2.416 -7.027 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.407 -4.965 -6.407 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.107 -3.409 -6.901 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.730 -4.699 -6.586 1.00 0.00 C ATOM 0 H TRP A 48 -2.583 -1.520 -7.455 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.876 1.044 -6.880 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.194 0.081 -6.588 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.673 -0.285 -8.221 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.574 -2.527 -6.609 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.610 -4.783 -6.213 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.447 -1.408 -7.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.100 -5.970 -6.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.150 -3.173 -7.049 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.469 -5.480 -6.484 1.00 0.00 H new ATOM 752 N THR A 49 -2.605 0.383 -4.904 1.00 0.00 N ATOM 753 CA THR A 49 -2.142 0.245 -3.491 1.00 0.00 C ATOM 754 C THR A 49 -2.860 1.245 -2.555 1.00 0.00 C ATOM 755 O THR A 49 -4.006 1.618 -2.742 1.00 0.00 O ATOM 756 CB THR A 49 -0.597 0.466 -3.445 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.396 1.776 -3.948 1.00 0.00 O ATOM 758 CG2 THR A 49 0.177 -0.366 -4.465 1.00 0.00 C ATOM 0 H THR A 49 -2.044 1.008 -5.483 1.00 0.00 H new ATOM 0 HA THR A 49 -2.387 -0.756 -3.137 1.00 0.00 H new ATOM 0 HB THR A 49 -0.269 0.237 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.561 1.926 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.243 -0.157 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.003 -1.425 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.156 -0.110 -5.471 1.00 0.00 H new ATOM 766 N ALA A 50 -2.181 1.691 -1.538 1.00 0.00 N ATOM 767 CA ALA A 50 -2.803 2.643 -0.583 1.00 0.00 C ATOM 768 C ALA A 50 -2.245 4.072 -0.549 1.00 0.00 C ATOM 769 O ALA A 50 -1.276 4.418 -1.202 1.00 0.00 O ATOM 770 CB ALA A 50 -2.669 1.943 0.754 1.00 0.00 C ATOM 0 H ALA A 50 -1.216 1.435 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.829 2.845 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.101 2.567 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.194 0.989 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.615 1.769 0.970 1.00 0.00 H new ATOM 776 N PHE A 51 -2.951 4.835 0.243 1.00 0.00 N ATOM 777 CA PHE A 51 -2.638 6.272 0.490 1.00 0.00 C ATOM 778 C PHE A 51 -2.003 6.243 1.882 1.00 0.00 C ATOM 779 O PHE A 51 -2.638 6.256 2.913 1.00 0.00 O ATOM 780 CB PHE A 51 -3.942 7.143 0.480 1.00 0.00 C ATOM 781 CG PHE A 51 -5.011 6.836 1.553 1.00 0.00 C ATOM 782 CD1 PHE A 51 -4.986 7.464 2.785 1.00 0.00 C ATOM 783 CD2 PHE A 51 -6.013 5.928 1.299 1.00 0.00 C ATOM 784 CE1 PHE A 51 -5.939 7.189 3.743 1.00 0.00 C ATOM 785 CE2 PHE A 51 -6.972 5.641 2.248 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.937 6.273 3.475 1.00 0.00 C ATOM 0 H PHE A 51 -3.770 4.502 0.752 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.992 6.712 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.650 8.188 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.409 7.039 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.208 8.181 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.049 5.432 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.905 7.688 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.749 4.923 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.686 6.052 4.221 1.00 0.00 H new ATOM 796 N CYS A 52 -0.707 6.166 1.879 1.00 0.00 N ATOM 797 CA CYS A 52 0.056 6.124 3.164 1.00 0.00 C ATOM 798 C CYS A 52 1.449 6.749 2.972 1.00 0.00 C ATOM 799 O CYS A 52 1.640 7.599 2.124 1.00 0.00 O ATOM 800 CB CYS A 52 0.129 4.646 3.585 1.00 0.00 C ATOM 801 SG CYS A 52 0.831 4.243 5.204 1.00 0.00 S ATOM 0 H CYS A 52 -0.133 6.130 1.037 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.432 6.704 3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.883 4.242 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.709 4.115 2.831 1.00 0.00 H new ATOM 806 N GLY A 53 2.375 6.304 3.772 1.00 0.00 N ATOM 807 CA GLY A 53 3.777 6.819 3.699 1.00 0.00 C ATOM 808 C GLY A 53 4.008 7.804 4.844 1.00 0.00 C ATOM 809 O GLY A 53 3.063 8.275 5.446 1.00 0.00 O ATOM 0 H GLY A 53 2.221 5.593 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.485 5.993 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.948 7.309 2.741 1.00 0.00 H new ATOM 813 N PRO A 54 5.248 8.119 5.132 1.00 0.00 N ATOM 814 CA PRO A 54 5.557 9.161 6.154 1.00 0.00 C ATOM 815 C PRO A 54 4.988 10.540 5.742 1.00 0.00 C ATOM 816 O PRO A 54 4.697 11.377 6.572 1.00 0.00 O ATOM 817 CB PRO A 54 7.094 9.092 6.260 1.00 0.00 C ATOM 818 CG PRO A 54 7.527 8.613 4.839 1.00 0.00 C ATOM 819 CD PRO A 54 6.478 7.533 4.513 1.00 0.00 C ATOM 0 HA PRO A 54 5.092 8.998 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.525 10.062 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.414 8.395 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.509 9.427 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.539 8.208 4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.365 7.381 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.735 6.567 4.946 1.00 0.00 H new ATOM 827 N ALA A 55 4.858 10.710 4.453 1.00 0.00 N ATOM 828 CA ALA A 55 4.329 11.980 3.850 1.00 0.00 C ATOM 829 C ALA A 55 3.199 11.776 2.793 1.00 0.00 C ATOM 830 O ALA A 55 3.353 12.157 1.647 1.00 0.00 O ATOM 831 CB ALA A 55 5.551 12.691 3.244 1.00 0.00 C ATOM 0 H ALA A 55 5.104 9.998 3.766 1.00 0.00 H new ATOM 0 HA ALA A 55 3.841 12.573 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.236 13.628 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.278 12.897 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.006 12.052 2.487 1.00 0.00 H new ATOM 837 N GLY A 56 2.104 11.179 3.178 1.00 0.00 N ATOM 838 CA GLY A 56 0.985 10.964 2.187 1.00 0.00 C ATOM 839 C GLY A 56 -0.435 11.147 2.715 1.00 0.00 C ATOM 840 O GLY A 56 -1.221 10.227 2.587 1.00 0.00 O ATOM 0 H GLY A 56 1.927 10.831 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.130 11.651 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.073 9.954 1.787 1.00 0.00 H new ATOM 844 N PRO A 57 -0.793 12.281 3.287 1.00 0.00 N ATOM 845 CA PRO A 57 -2.210 12.438 3.728 1.00 0.00 C ATOM 846 C PRO A 57 -3.077 12.635 2.458 1.00 0.00 C ATOM 847 O PRO A 57 -3.168 13.702 1.879 1.00 0.00 O ATOM 848 CB PRO A 57 -2.134 13.651 4.670 1.00 0.00 C ATOM 849 CG PRO A 57 -1.056 14.527 3.966 1.00 0.00 C ATOM 850 CD PRO A 57 0.038 13.491 3.570 1.00 0.00 C ATOM 0 HA PRO A 57 -2.666 11.596 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.091 14.166 4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.836 13.368 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.460 15.040 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.662 15.294 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.610 13.810 2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.753 13.320 4.375 1.00 0.00 H new ATOM 858 N ARG A 58 -3.706 11.567 2.047 1.00 0.00 N ATOM 859 CA ARG A 58 -4.579 11.604 0.842 1.00 0.00 C ATOM 860 C ARG A 58 -5.651 10.480 0.892 1.00 0.00 C ATOM 861 O ARG A 58 -5.445 9.440 0.305 1.00 0.00 O ATOM 862 CB ARG A 58 -3.594 11.473 -0.297 1.00 0.00 C ATOM 863 CG ARG A 58 -4.127 12.075 -1.614 1.00 0.00 C ATOM 864 CD ARG A 58 -3.840 13.575 -1.636 1.00 0.00 C ATOM 865 NE ARG A 58 -3.949 13.937 -3.083 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.959 14.454 -3.695 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.877 13.796 -3.728 1.00 0.00 N ATOM 868 NH2 ARG A 58 -3.114 15.597 -4.223 1.00 0.00 N ATOM 0 H ARG A 58 -3.650 10.657 2.504 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.175 12.512 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.662 11.969 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.361 10.420 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.653 11.590 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.199 11.897 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.557 14.129 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.849 13.799 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.822 13.769 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.820 12.884 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.062 14.178 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.012 16.075 -4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.340 16.038 -4.720 1.00 0.00 H new ATOM 882 N GLY A 59 -6.752 10.675 1.573 1.00 0.00 N ATOM 883 CA GLY A 59 -7.801 9.580 1.621 1.00 0.00 C ATOM 884 C GLY A 59 -9.075 10.007 0.899 1.00 0.00 C ATOM 885 O GLY A 59 -9.271 9.666 -0.249 1.00 0.00 O ATOM 0 H GLY A 59 -6.979 11.523 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.406 8.674 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.031 9.338 2.659 1.00 0.00 H new ATOM 889 N GLN A 60 -9.906 10.752 1.584 1.00 0.00 N ATOM 890 CA GLN A 60 -11.202 11.248 0.991 1.00 0.00 C ATOM 891 C GLN A 60 -11.037 11.743 -0.474 1.00 0.00 C ATOM 892 O GLN A 60 -11.749 11.349 -1.374 1.00 0.00 O ATOM 893 CB GLN A 60 -11.748 12.397 1.898 1.00 0.00 C ATOM 894 CG GLN A 60 -11.888 11.903 3.388 1.00 0.00 C ATOM 895 CD GLN A 60 -12.635 12.914 4.274 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.403 13.046 5.455 1.00 0.00 O ATOM 897 NE2 GLN A 60 -13.561 13.665 3.780 1.00 0.00 N ATOM 0 H GLN A 60 -9.744 11.046 2.547 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.907 10.417 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.076 13.254 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.717 12.732 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.417 10.950 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.896 11.724 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.799 13.597 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.055 14.327 4.379 1.00 0.00 H new ATOM 906 N ALA A 61 -10.082 12.614 -0.673 1.00 0.00 N ATOM 907 CA ALA A 61 -9.792 13.187 -2.039 1.00 0.00 C ATOM 908 C ALA A 61 -8.748 12.347 -2.851 1.00 0.00 C ATOM 909 O ALA A 61 -8.043 12.838 -3.719 1.00 0.00 O ATOM 910 CB ALA A 61 -9.311 14.637 -1.799 1.00 0.00 C ATOM 0 H ALA A 61 -9.473 12.965 0.066 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.689 13.162 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.084 15.108 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.095 15.201 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.415 14.625 -1.179 1.00 0.00 H new ATOM 916 N ALA A 62 -8.701 11.085 -2.520 1.00 0.00 N ATOM 917 CA ALA A 62 -7.773 10.119 -3.177 1.00 0.00 C ATOM 918 C ALA A 62 -8.491 8.881 -3.790 1.00 0.00 C ATOM 919 O ALA A 62 -7.830 7.990 -4.278 1.00 0.00 O ATOM 920 CB ALA A 62 -6.799 9.705 -2.106 1.00 0.00 C ATOM 0 H ALA A 62 -9.288 10.670 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.283 10.593 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.085 8.993 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.266 10.583 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.340 9.239 -1.282 1.00 0.00 H new ATOM 926 N CYS A 63 -9.802 8.851 -3.777 1.00 0.00 N ATOM 927 CA CYS A 63 -10.574 7.677 -4.347 1.00 0.00 C ATOM 928 C CYS A 63 -10.604 7.620 -5.908 1.00 0.00 C ATOM 929 O CYS A 63 -11.239 6.800 -6.539 1.00 0.00 O ATOM 930 CB CYS A 63 -11.990 7.788 -3.763 1.00 0.00 C ATOM 931 SG CYS A 63 -13.049 6.321 -3.646 1.00 0.00 S ATOM 0 H CYS A 63 -10.386 9.594 -3.393 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.078 6.747 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.893 8.197 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.527 8.527 -4.357 1.00 0.00 H new ATOM 936 N GLY A 64 -9.900 8.541 -6.504 1.00 0.00 N ATOM 937 CA GLY A 64 -9.815 8.623 -8.001 1.00 0.00 C ATOM 938 C GLY A 64 -8.500 9.262 -8.441 1.00 0.00 C ATOM 939 O GLY A 64 -8.477 9.988 -9.415 1.00 0.00 O ATOM 0 H GLY A 64 -9.367 9.258 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.899 7.624 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.653 9.205 -8.385 1.00 0.00 H new ATOM 943 N LYS A 65 -7.445 8.988 -7.713 1.00 0.00 N ATOM 944 CA LYS A 65 -6.082 9.542 -8.026 1.00 0.00 C ATOM 945 C LYS A 65 -5.094 8.377 -8.134 1.00 0.00 C ATOM 946 O LYS A 65 -5.326 7.275 -7.658 1.00 0.00 O ATOM 947 CB LYS A 65 -5.576 10.514 -6.891 1.00 0.00 C ATOM 948 CG LYS A 65 -5.962 12.005 -7.103 1.00 0.00 C ATOM 949 CD LYS A 65 -7.466 12.145 -7.388 1.00 0.00 C ATOM 950 CE LYS A 65 -7.892 13.608 -7.359 1.00 0.00 C ATOM 951 NZ LYS A 65 -9.315 13.664 -7.835 1.00 0.00 N ATOM 0 H LYS A 65 -7.469 8.386 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.147 10.101 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.980 10.179 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.491 10.439 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.700 12.583 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.390 12.419 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.697 11.714 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.034 11.582 -6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.807 14.014 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.248 14.209 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.644 14.650 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.373 13.285 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.915 13.095 -7.204 1.00 0.00 H new ATOM 965 N CYS A 66 -3.984 8.679 -8.757 1.00 0.00 N ATOM 966 CA CYS A 66 -2.905 7.668 -8.954 1.00 0.00 C ATOM 967 C CYS A 66 -1.578 8.070 -8.259 1.00 0.00 C ATOM 968 O CYS A 66 -1.326 9.197 -7.886 1.00 0.00 O ATOM 969 CB CYS A 66 -2.772 7.497 -10.490 1.00 0.00 C ATOM 970 SG CYS A 66 -4.031 6.418 -11.227 1.00 0.00 S ATOM 0 H CYS A 66 -3.778 9.600 -9.144 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.156 6.718 -8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.830 8.479 -10.960 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.785 7.093 -10.716 1.00 0.00 H new ATOM 975 N LEU A 67 -0.727 7.110 -8.085 1.00 0.00 N ATOM 976 CA LEU A 67 0.598 7.324 -7.423 1.00 0.00 C ATOM 977 C LEU A 67 1.773 6.827 -8.311 1.00 0.00 C ATOM 978 O LEU A 67 1.831 5.666 -8.666 1.00 0.00 O ATOM 979 CB LEU A 67 0.477 6.568 -6.064 1.00 0.00 C ATOM 980 CG LEU A 67 1.119 7.346 -4.914 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.843 6.627 -3.584 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.615 7.400 -5.147 1.00 0.00 C ATOM 0 H LEU A 67 -0.893 6.148 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 67 0.828 8.378 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.575 6.393 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.952 5.591 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 67 0.704 8.353 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.302 7.184 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.233 6.564 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.264 5.622 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.090 7.952 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.015 6.387 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.818 7.901 -6.094 1.00 0.00 H new ATOM 994 N ARG A 68 2.707 7.693 -8.633 1.00 0.00 N ATOM 995 CA ARG A 68 3.865 7.269 -9.494 1.00 0.00 C ATOM 996 C ARG A 68 4.978 6.851 -8.522 1.00 0.00 C ATOM 997 O ARG A 68 5.261 7.561 -7.571 1.00 0.00 O ATOM 998 CB ARG A 68 4.396 8.440 -10.357 1.00 0.00 C ATOM 999 CG ARG A 68 5.396 7.863 -11.414 1.00 0.00 C ATOM 1000 CD ARG A 68 6.255 8.948 -12.097 1.00 0.00 C ATOM 1001 NE ARG A 68 7.315 9.456 -11.143 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.327 10.720 -10.853 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.390 11.265 -10.185 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.289 11.443 -11.252 1.00 0.00 N ATOM 0 H ARG A 68 2.720 8.670 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 68 3.555 6.471 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.570 8.949 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.893 9.179 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.053 7.142 -10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.836 7.320 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.726 8.539 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.621 9.774 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 68 8.002 8.820 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.601 10.705 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.428 12.262 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.046 11.030 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.306 12.438 -11.028 1.00 0.00 H new ATOM 1018 N VAL A 69 5.576 5.730 -8.813 1.00 0.00 N ATOM 1019 CA VAL A 69 6.680 5.152 -7.986 1.00 0.00 C ATOM 1020 C VAL A 69 7.903 4.964 -8.894 1.00 0.00 C ATOM 1021 O VAL A 69 7.765 4.526 -10.024 1.00 0.00 O ATOM 1022 CB VAL A 69 6.205 3.790 -7.422 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.251 3.169 -6.473 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.885 3.969 -6.667 1.00 0.00 C ATOM 0 H VAL A 69 5.335 5.164 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 69 6.944 5.807 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 69 6.066 3.116 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.881 2.215 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.184 3.009 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.428 3.844 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.558 3.007 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.029 4.668 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.127 4.360 -7.346 1.00 0.00 H new ATOM 1034 N THR A 70 9.049 5.290 -8.347 1.00 0.00 N ATOM 1035 CA THR A 70 10.375 5.179 -9.074 1.00 0.00 C ATOM 1036 C THR A 70 11.386 4.328 -8.271 1.00 0.00 C ATOM 1037 O THR A 70 11.344 4.375 -7.054 1.00 0.00 O ATOM 1038 CB THR A 70 10.981 6.571 -9.259 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.039 7.344 -10.004 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.245 6.479 -10.140 1.00 0.00 C ATOM 0 H THR A 70 9.132 5.642 -7.393 1.00 0.00 H new ATOM 0 HA THR A 70 10.183 4.704 -10.036 1.00 0.00 H new ATOM 0 HB THR A 70 11.218 7.000 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.393 8.247 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.672 7.474 -10.268 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.977 5.829 -9.660 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.980 6.069 -11.115 1.00 0.00 H new ATOM 1048 N ASN A 71 12.265 3.591 -8.917 1.00 0.00 N ATOM 1049 CA ASN A 71 13.286 2.732 -8.196 1.00 0.00 C ATOM 1050 C ASN A 71 14.807 3.050 -8.440 1.00 0.00 C ATOM 1051 O ASN A 71 15.364 2.478 -9.366 1.00 0.00 O ATOM 1052 CB ASN A 71 12.959 1.266 -8.604 1.00 0.00 C ATOM 1053 CG ASN A 71 13.872 0.293 -7.851 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.539 0.658 -6.911 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.988 -0.952 -8.158 1.00 0.00 N ATOM 0 H ASN A 71 12.324 3.543 -9.934 1.00 0.00 H new ATOM 0 HA ASN A 71 13.186 2.939 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.915 1.043 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.090 1.142 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.611 -1.554 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.457 -1.336 -8.940 1.00 0.00 H new ATOM 1062 N PRO A 72 15.451 3.905 -7.652 1.00 0.00 N ATOM 1063 CA PRO A 72 16.820 4.429 -7.992 1.00 0.00 C ATOM 1064 C PRO A 72 17.712 3.285 -8.523 1.00 0.00 C ATOM 1065 O PRO A 72 18.391 3.411 -9.519 1.00 0.00 O ATOM 1066 CB PRO A 72 17.373 5.048 -6.698 1.00 0.00 C ATOM 1067 CG PRO A 72 16.267 4.854 -5.616 1.00 0.00 C ATOM 1068 CD PRO A 72 14.958 4.430 -6.344 1.00 0.00 C ATOM 0 HA PRO A 72 16.790 5.179 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.301 4.560 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.600 6.105 -6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.567 4.093 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.112 5.778 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.414 3.669 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.280 5.273 -6.478 1.00 0.00 H new ATOM 1076 N ALA A 73 17.650 2.200 -7.793 1.00 0.00 N ATOM 1077 CA ALA A 73 18.403 0.941 -8.080 1.00 0.00 C ATOM 1078 C ALA A 73 18.569 0.627 -9.587 1.00 0.00 C ATOM 1079 O ALA A 73 19.655 0.342 -10.053 1.00 0.00 O ATOM 1080 CB ALA A 73 17.646 -0.186 -7.356 1.00 0.00 C ATOM 0 H ALA A 73 17.070 2.136 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 73 19.427 1.048 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.153 -1.135 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.622 0.021 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.627 -0.243 -7.738 1.00 0.00 H new ATOM 1086 N THR A 74 17.468 0.689 -10.287 1.00 0.00 N ATOM 1087 CA THR A 74 17.483 0.400 -11.769 1.00 0.00 C ATOM 1088 C THR A 74 17.199 1.660 -12.574 1.00 0.00 C ATOM 1089 O THR A 74 17.689 1.859 -13.669 1.00 0.00 O ATOM 1090 CB THR A 74 16.399 -0.676 -12.123 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.139 -0.129 -11.731 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.517 -1.884 -11.195 1.00 0.00 C ATOM 0 H THR A 74 16.553 0.927 -9.905 1.00 0.00 H new ATOM 0 HA THR A 74 18.476 0.028 -12.022 1.00 0.00 H new ATOM 0 HB THR A 74 16.507 -0.941 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.532 -0.855 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.756 -2.619 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.506 -2.330 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.374 -1.565 -10.163 1.00 0.00 H new ATOM 1100 N GLY A 75 16.392 2.487 -11.975 1.00 0.00 N ATOM 1101 CA GLY A 75 15.980 3.775 -12.608 1.00 0.00 C ATOM 1102 C GLY A 75 14.585 3.533 -13.174 1.00 0.00 C ATOM 1103 O GLY A 75 13.983 4.425 -13.733 1.00 0.00 O ATOM 0 H GLY A 75 15.990 2.323 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.971 4.584 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.676 4.064 -13.395 1.00 0.00 H new ATOM 1107 N ALA A 76 14.099 2.328 -13.014 1.00 0.00 N ATOM 1108 CA ALA A 76 12.755 1.983 -13.535 1.00 0.00 C ATOM 1109 C ALA A 76 11.675 2.683 -12.694 1.00 0.00 C ATOM 1110 O ALA A 76 11.874 3.045 -11.551 1.00 0.00 O ATOM 1111 CB ALA A 76 12.662 0.440 -13.479 1.00 0.00 C ATOM 0 H ALA A 76 14.585 1.567 -12.540 1.00 0.00 H new ATOM 0 HA ALA A 76 12.597 2.322 -14.559 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.689 0.120 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.448 0.005 -14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.783 0.105 -12.449 1.00 0.00 H new ATOM 1117 N GLN A 77 10.549 2.864 -13.304 1.00 0.00 N ATOM 1118 CA GLN A 77 9.403 3.526 -12.630 1.00 0.00 C ATOM 1119 C GLN A 77 8.083 2.972 -13.169 1.00 0.00 C ATOM 1120 O GLN A 77 8.016 2.422 -14.253 1.00 0.00 O ATOM 1121 CB GLN A 77 9.549 5.068 -12.863 1.00 0.00 C ATOM 1122 CG GLN A 77 10.039 5.427 -14.311 1.00 0.00 C ATOM 1123 CD GLN A 77 9.040 4.973 -15.372 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.927 5.443 -15.440 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.378 4.063 -16.226 1.00 0.00 N ATOM 0 H GLN A 77 10.366 2.575 -14.265 1.00 0.00 H new ATOM 0 HA GLN A 77 9.401 3.328 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.588 5.550 -12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.252 5.475 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.188 6.504 -14.388 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.005 4.957 -14.496 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.310 3.651 -16.190 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.712 3.757 -16.936 1.00 0.00 H new ATOM 1134 N ILE A 78 7.069 3.128 -12.373 1.00 0.00 N ATOM 1135 CA ILE A 78 5.692 2.659 -12.719 1.00 0.00 C ATOM 1136 C ILE A 78 4.628 3.555 -12.023 1.00 0.00 C ATOM 1137 O ILE A 78 4.979 4.347 -11.170 1.00 0.00 O ATOM 1138 CB ILE A 78 5.654 1.204 -12.251 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.793 0.331 -13.190 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.147 1.090 -10.800 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.664 -0.129 -14.390 1.00 0.00 C ATOM 0 H ILE A 78 7.135 3.578 -11.460 1.00 0.00 H new ATOM 0 HA ILE A 78 5.463 2.726 -13.783 1.00 0.00 H new ATOM 0 HB ILE A 78 6.678 0.833 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.407 -0.534 -12.651 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.931 0.896 -13.545 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.133 0.042 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.810 1.648 -10.138 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.139 1.500 -10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.065 -0.746 -15.059 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.028 0.744 -14.931 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.511 -0.708 -14.024 1.00 0.00 H new ATOM 1153 N THR A 79 3.376 3.405 -12.378 1.00 0.00 N ATOM 1154 CA THR A 79 2.278 4.233 -11.741 1.00 0.00 C ATOM 1155 C THR A 79 1.160 3.314 -11.161 1.00 0.00 C ATOM 1156 O THR A 79 0.548 2.544 -11.874 1.00 0.00 O ATOM 1157 CB THR A 79 1.700 5.181 -12.810 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.796 6.015 -13.158 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.770 6.236 -12.179 1.00 0.00 C ATOM 0 H THR A 79 3.055 2.743 -13.085 1.00 0.00 H new ATOM 0 HA THR A 79 2.688 4.813 -10.914 1.00 0.00 H new ATOM 0 HB THR A 79 1.210 4.589 -13.583 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.514 6.656 -13.843 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.379 6.889 -12.959 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.057 5.737 -11.675 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.330 6.829 -11.456 1.00 0.00 H new ATOM 1167 N ALA A 80 0.896 3.416 -9.885 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.158 2.567 -9.217 1.00 0.00 C ATOM 1169 C ALA A 80 -1.402 3.397 -8.833 1.00 0.00 C ATOM 1170 O ALA A 80 -1.379 4.605 -8.960 1.00 0.00 O ATOM 1171 CB ALA A 80 0.498 1.944 -7.974 1.00 0.00 C ATOM 0 H ALA A 80 1.372 4.064 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.513 1.795 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.228 1.318 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.350 1.336 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.838 2.736 -7.306 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.452 2.772 -8.375 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.656 3.592 -8.004 1.00 0.00 C ATOM 1179 C ARG A 81 -3.793 3.732 -6.478 1.00 0.00 C ATOM 1180 O ARG A 81 -3.343 2.866 -5.750 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.878 2.894 -8.597 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.025 3.936 -8.758 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.344 3.223 -8.919 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.252 2.258 -10.074 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.242 0.997 -9.865 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -8.144 0.534 -9.122 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.354 0.250 -10.387 1.00 0.00 N ATOM 0 H ARG A 81 -2.536 1.764 -8.242 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.558 4.603 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.629 2.455 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.198 2.078 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.059 4.591 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.835 4.569 -9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.596 2.689 -8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.141 3.945 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.197 2.614 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.841 1.158 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.179 -0.466 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.633 0.655 -10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.363 -0.754 -10.208 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.380 4.815 -6.035 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.582 5.056 -4.558 1.00 0.00 C ATOM 1203 C ILE A 82 -5.943 4.457 -4.174 1.00 0.00 C ATOM 1204 O ILE A 82 -6.916 4.833 -4.798 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.581 6.560 -4.289 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.246 7.152 -4.786 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.727 6.737 -2.775 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.216 8.662 -4.541 1.00 0.00 C ATOM 0 H ILE A 82 -4.736 5.558 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.786 4.595 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.393 7.072 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.413 6.675 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.121 6.946 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.732 7.799 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.662 6.285 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.891 6.253 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.269 9.069 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.038 9.134 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.319 8.860 -3.474 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.048 3.575 -3.215 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.429 3.038 -2.914 1.00 0.00 C ATOM 1222 C VAL A 83 -7.827 2.868 -1.451 1.00 0.00 C ATOM 1223 O VAL A 83 -8.885 3.284 -1.004 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.529 1.677 -3.674 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.681 0.802 -3.164 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.781 1.923 -5.175 1.00 0.00 C ATOM 0 H VAL A 83 -5.284 3.211 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.140 3.796 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.582 1.165 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.705 -0.132 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.532 0.585 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.625 1.330 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.849 0.967 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.714 2.472 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.958 2.504 -5.592 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.905 2.214 -0.805 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.014 1.878 0.639 1.00 0.00 C ATOM 1238 C ASP A 84 -5.910 2.494 1.543 1.00 0.00 C ATOM 1239 O ASP A 84 -5.179 3.393 1.174 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.015 0.322 0.675 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.513 -0.207 2.017 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.441 0.397 2.538 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.915 -1.172 2.439 1.00 0.00 O ATOM 0 H ASP A 84 -6.043 1.885 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.919 2.314 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.648 -0.061 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.007 -0.048 0.489 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.840 1.956 2.732 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.864 2.361 3.794 1.00 0.00 C ATOM 1250 C GLN A 85 -3.628 1.393 3.903 1.00 0.00 C ATOM 1251 O GLN A 85 -3.387 0.554 3.057 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.706 2.411 5.091 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.103 0.955 5.539 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.131 0.896 6.681 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.706 -0.129 6.967 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.409 1.944 7.387 1.00 0.00 N ATOM 0 H GLN A 85 -6.461 1.203 3.028 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.402 3.322 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.139 2.901 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.604 3.006 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.505 0.421 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.202 0.426 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.950 2.832 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.087 1.882 8.146 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.867 1.549 4.955 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.648 0.680 5.173 1.00 0.00 C ATOM 1267 C CYS A 86 -1.708 -0.303 6.367 1.00 0.00 C ATOM 1268 O CYS A 86 -0.957 -0.221 7.321 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.445 1.625 5.318 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.700 3.251 6.064 1.00 0.00 S ATOM 0 H CYS A 86 -3.031 2.244 5.684 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.574 0.018 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.312 1.107 5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.025 1.780 4.324 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.624 -1.226 6.263 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.840 -2.276 7.320 1.00 0.00 C ATOM 1277 C ALA A 87 -1.532 -2.995 7.773 1.00 0.00 C ATOM 1278 O ALA A 87 -1.419 -3.538 8.851 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.860 -3.265 6.728 1.00 0.00 C ATOM 0 H ALA A 87 -3.256 -1.304 5.466 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.207 -1.810 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.061 -4.056 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.787 -2.739 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.456 -3.702 5.815 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.587 -2.955 6.892 1.00 0.00 N ATOM 1286 CA ASN A 88 0.776 -3.564 7.048 1.00 0.00 C ATOM 1287 C ASN A 88 1.864 -2.495 7.268 1.00 0.00 C ATOM 1288 O ASN A 88 2.851 -2.729 7.935 1.00 0.00 O ATOM 1289 CB ASN A 88 1.022 -4.362 5.766 1.00 0.00 C ATOM 1290 CG ASN A 88 0.942 -3.390 4.583 1.00 0.00 C ATOM 1291 OD1 ASN A 88 0.256 -2.383 4.598 1.00 0.00 O ATOM 1292 ND2 ASN A 88 1.618 -3.624 3.519 1.00 0.00 N ATOM 0 H ASN A 88 -0.706 -2.488 5.993 1.00 0.00 H new ATOM 0 HA ASN A 88 0.822 -4.202 7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.999 -4.844 5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.280 -5.153 5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.567 -2.979 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.206 -4.455 3.461 1.00 0.00 H new ATOM 1299 N GLY A 89 1.633 -1.356 6.680 1.00 0.00 N ATOM 1300 CA GLY A 89 2.586 -0.200 6.782 1.00 0.00 C ATOM 1301 C GLY A 89 3.076 0.295 5.425 1.00 0.00 C ATOM 1302 O GLY A 89 4.184 0.781 5.318 1.00 0.00 O ATOM 0 H GLY A 89 0.804 -1.167 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.097 0.621 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.444 -0.497 7.385 1.00 0.00 H new ATOM 1306 N GLY A 90 2.252 0.184 4.418 1.00 0.00 N ATOM 1307 CA GLY A 90 2.681 0.661 3.065 1.00 0.00 C ATOM 1308 C GLY A 90 2.156 -0.201 1.938 1.00 0.00 C ATOM 1309 O GLY A 90 1.523 -1.209 2.162 1.00 0.00 O ATOM 0 H GLY A 90 1.313 -0.210 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.337 1.685 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.770 0.681 3.022 1.00 0.00 H new ATOM 1313 N LEU A 91 2.443 0.259 0.757 1.00 0.00 N ATOM 1314 CA LEU A 91 2.009 -0.456 -0.502 1.00 0.00 C ATOM 1315 C LEU A 91 1.892 -1.995 -0.326 1.00 0.00 C ATOM 1316 O LEU A 91 2.874 -2.689 -0.129 1.00 0.00 O ATOM 1317 CB LEU A 91 3.013 -0.155 -1.648 1.00 0.00 C ATOM 1318 CG LEU A 91 3.510 1.311 -1.593 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.888 1.312 -0.916 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.626 1.886 -2.996 1.00 0.00 C ATOM 0 H LEU A 91 2.970 1.117 0.593 1.00 0.00 H new ATOM 0 HA LEU A 91 1.015 -0.081 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.864 -0.832 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.537 -0.343 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 91 2.804 1.925 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.266 2.333 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.799 0.904 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.579 0.700 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.976 2.917 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.334 1.293 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.650 1.861 -3.481 1.00 0.00 H new ATOM 1332 N ASP A 92 0.693 -2.493 -0.398 1.00 0.00 N ATOM 1333 CA ASP A 92 0.462 -3.953 -0.239 1.00 0.00 C ATOM 1334 C ASP A 92 -0.092 -4.707 -1.497 1.00 0.00 C ATOM 1335 O ASP A 92 0.355 -5.809 -1.753 1.00 0.00 O ATOM 1336 CB ASP A 92 -0.464 -4.016 1.019 1.00 0.00 C ATOM 1337 CG ASP A 92 -1.780 -3.341 0.691 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -1.740 -2.128 0.526 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -2.735 -4.099 0.620 1.00 0.00 O ATOM 0 H ASP A 92 -0.150 -1.942 -0.563 1.00 0.00 H new ATOM 0 HA ASP A 92 1.398 -4.498 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.634 -5.052 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.014 -3.521 1.864 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.007 -4.147 -2.265 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.575 -4.847 -3.478 1.00 0.00 C ATOM 1346 C LEU A 93 -0.616 -5.054 -4.675 1.00 0.00 C ATOM 1347 O LEU A 93 -1.018 -5.047 -5.827 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.824 -4.037 -3.961 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.940 -3.967 -2.889 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.840 -2.685 -2.052 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.291 -3.888 -3.587 1.00 0.00 C ATOM 0 H LEU A 93 -1.392 -3.217 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.811 -5.858 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.516 -3.026 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.223 -4.496 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.834 -4.848 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.639 -2.671 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.875 -2.655 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.935 -1.817 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.084 -3.838 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.326 -2.996 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.432 -4.773 -4.208 1.00 0.00 H new ATOM 1363 N ASP A 94 0.633 -5.243 -4.376 1.00 0.00 N ATOM 1364 CA ASP A 94 1.639 -5.452 -5.426 1.00 0.00 C ATOM 1365 C ASP A 94 1.819 -6.927 -5.784 1.00 0.00 C ATOM 1366 O ASP A 94 0.893 -7.614 -6.165 1.00 0.00 O ATOM 1367 CB ASP A 94 2.907 -4.718 -4.873 1.00 0.00 C ATOM 1368 CG ASP A 94 2.581 -3.220 -4.805 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.939 -2.728 -5.726 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.009 -2.647 -3.820 1.00 0.00 O ATOM 0 H ASP A 94 1.000 -5.260 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 94 1.357 -5.040 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.170 -5.098 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.765 -4.894 -5.521 1.00 0.00 H new ATOM 1375 N TRP A 95 3.036 -7.361 -5.653 1.00 0.00 N ATOM 1376 CA TRP A 95 3.480 -8.756 -5.945 1.00 0.00 C ATOM 1377 C TRP A 95 3.543 -8.998 -7.457 1.00 0.00 C ATOM 1378 O TRP A 95 4.402 -9.741 -7.881 1.00 0.00 O ATOM 1379 CB TRP A 95 2.544 -9.822 -5.372 1.00 0.00 C ATOM 1380 CG TRP A 95 3.430 -11.109 -5.513 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.458 -11.483 -4.684 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.366 -12.009 -6.516 1.00 0.00 C ATOM 1383 NE1 TRP A 95 4.939 -12.582 -5.248 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.343 -12.969 -6.359 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.525 -12.048 -7.605 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 4.482 -13.965 -7.291 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 2.663 -13.045 -8.544 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.644 -14.001 -8.387 1.00 0.00 C ATOM 0 H TRP A 95 3.797 -6.762 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 95 4.459 -8.846 -5.475 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.274 -9.619 -4.336 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.614 -9.899 -5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.796 -10.995 -3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.723 -13.097 -4.847 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.758 -11.297 -7.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.245 -14.719 -7.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.006 -13.078 -9.400 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.757 -14.781 -9.125 1.00 0.00 H new ATOM 1399 N ASP A 96 2.645 -8.418 -8.213 1.00 0.00 N ATOM 1400 CA ASP A 96 2.662 -8.604 -9.725 1.00 0.00 C ATOM 1401 C ASP A 96 2.694 -7.241 -10.510 1.00 0.00 C ATOM 1402 O ASP A 96 3.110 -7.119 -11.654 1.00 0.00 O ATOM 1403 CB ASP A 96 1.391 -9.477 -10.099 1.00 0.00 C ATOM 1404 CG ASP A 96 0.080 -8.829 -9.675 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.243 -7.884 -10.364 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.519 -9.290 -8.720 1.00 0.00 O ATOM 0 H ASP A 96 1.895 -7.821 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 96 3.579 -9.112 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.376 -9.644 -11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.477 -10.455 -9.626 1.00 0.00 H new ATOM 1411 N THR A 97 2.252 -6.248 -9.795 1.00 0.00 N ATOM 1412 CA THR A 97 2.141 -4.829 -10.256 1.00 0.00 C ATOM 1413 C THR A 97 3.410 -3.907 -10.218 1.00 0.00 C ATOM 1414 O THR A 97 4.004 -3.659 -11.251 1.00 0.00 O ATOM 1415 CB THR A 97 0.970 -4.182 -9.396 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.565 -3.922 -8.139 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.088 -5.215 -8.926 1.00 0.00 C ATOM 0 H THR A 97 1.938 -6.373 -8.833 1.00 0.00 H new ATOM 0 HA THR A 97 1.961 -4.886 -11.329 1.00 0.00 H new ATOM 0 HB THR A 97 0.538 -3.374 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.061 -3.219 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.858 -4.708 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.543 -5.691 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.393 -5.973 -8.308 1.00 0.00 H new ATOM 1425 N VAL A 98 3.800 -3.427 -9.059 1.00 0.00 N ATOM 1426 CA VAL A 98 4.974 -2.523 -8.882 1.00 0.00 C ATOM 1427 C VAL A 98 6.308 -3.232 -8.620 1.00 0.00 C ATOM 1428 O VAL A 98 7.141 -3.384 -9.499 1.00 0.00 O ATOM 1429 CB VAL A 98 4.580 -1.544 -7.710 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.649 -0.464 -7.464 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.238 -0.865 -8.009 1.00 0.00 C ATOM 0 H VAL A 98 3.321 -3.641 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 98 5.170 -1.997 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 98 4.500 -2.151 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.330 0.184 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.594 -0.940 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.781 0.130 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.980 -0.193 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.317 -0.296 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.462 -1.623 -8.114 1.00 0.00 H new ATOM 1441 N PHE A 99 6.437 -3.646 -7.383 1.00 0.00 N ATOM 1442 CA PHE A 99 7.678 -4.359 -6.901 1.00 0.00 C ATOM 1443 C PHE A 99 8.293 -5.231 -8.028 1.00 0.00 C ATOM 1444 O PHE A 99 9.318 -4.944 -8.617 1.00 0.00 O ATOM 1445 CB PHE A 99 7.254 -5.204 -5.651 1.00 0.00 C ATOM 1446 CG PHE A 99 8.447 -5.388 -4.700 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.909 -4.295 -3.990 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.076 -6.608 -4.532 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.983 -4.420 -3.128 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.145 -6.727 -3.671 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.602 -5.638 -2.968 1.00 0.00 C ATOM 0 H PHE A 99 5.722 -3.520 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 99 8.460 -3.652 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.437 -4.707 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.882 -6.177 -5.971 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.427 -3.336 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.728 -7.472 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.337 -3.560 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.628 -7.685 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.441 -5.738 -2.295 1.00 0.00 H new ATOM 1461 N THR A 100 7.568 -6.285 -8.285 1.00 0.00 N ATOM 1462 CA THR A 100 7.892 -7.320 -9.326 1.00 0.00 C ATOM 1463 C THR A 100 8.351 -6.843 -10.674 1.00 0.00 C ATOM 1464 O THR A 100 9.049 -7.557 -11.366 1.00 0.00 O ATOM 1465 CB THR A 100 6.669 -8.203 -9.591 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.643 -7.726 -8.751 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.879 -9.648 -9.196 1.00 0.00 C ATOM 0 H THR A 100 6.704 -6.487 -7.782 1.00 0.00 H new ATOM 0 HA THR A 100 8.740 -7.834 -8.873 1.00 0.00 H new ATOM 0 HB THR A 100 6.452 -8.161 -10.658 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.131 -7.035 -9.220 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.975 -10.219 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.713 -10.063 -9.763 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.101 -9.705 -8.130 1.00 0.00 H new ATOM 1475 N LYS A 101 7.953 -5.652 -11.013 1.00 0.00 N ATOM 1476 CA LYS A 101 8.363 -5.108 -12.328 1.00 0.00 C ATOM 1477 C LYS A 101 9.558 -4.155 -12.185 1.00 0.00 C ATOM 1478 O LYS A 101 10.405 -4.093 -13.055 1.00 0.00 O ATOM 1479 CB LYS A 101 7.184 -4.344 -12.966 1.00 0.00 C ATOM 1480 CG LYS A 101 5.998 -5.271 -13.251 1.00 0.00 C ATOM 1481 CD LYS A 101 5.049 -4.541 -14.242 1.00 0.00 C ATOM 1482 CE LYS A 101 3.740 -5.314 -14.356 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.958 -4.754 -15.512 1.00 0.00 N ATOM 0 H LYS A 101 7.369 -5.040 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 101 8.656 -5.945 -12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.867 -3.541 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.512 -3.877 -13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.344 -6.213 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.472 -5.513 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.855 -3.526 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.522 -4.459 -15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.938 -6.375 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.167 -5.228 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.060 -5.270 -15.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.763 -3.746 -15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.510 -4.858 -16.387 1.00 0.00 H new ATOM 1497 N ILE A 102 9.604 -3.428 -11.101 1.00 0.00 N ATOM 1498 CA ILE A 102 10.765 -2.484 -10.935 1.00 0.00 C ATOM 1499 C ILE A 102 12.038 -3.187 -10.360 1.00 0.00 C ATOM 1500 O ILE A 102 13.065 -2.544 -10.232 1.00 0.00 O ATOM 1501 CB ILE A 102 10.284 -1.282 -10.016 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.966 -1.764 -8.566 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.012 -0.639 -10.661 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.329 -0.631 -7.698 1.00 0.00 C ATOM 0 H ILE A 102 8.920 -3.438 -10.345 1.00 0.00 H new ATOM 0 HA ILE A 102 11.069 -2.110 -11.913 1.00 0.00 H new ATOM 0 HB ILE A 102 11.086 -0.547 -9.946 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.285 -2.614 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.883 -2.113 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.669 0.189 -10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.256 -0.270 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.223 -1.388 -10.735 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.124 -1.011 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.020 0.209 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.398 -0.300 -8.158 1.00 0.00 H new ATOM 1516 N ASP A 103 11.883 -4.457 -10.062 1.00 0.00 N ATOM 1517 CA ASP A 103 12.944 -5.368 -9.502 1.00 0.00 C ATOM 1518 C ASP A 103 13.614 -6.334 -10.543 1.00 0.00 C ATOM 1519 O ASP A 103 13.672 -7.538 -10.380 1.00 0.00 O ATOM 1520 CB ASP A 103 12.266 -6.177 -8.354 1.00 0.00 C ATOM 1521 CG ASP A 103 12.439 -5.496 -6.998 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.824 -4.453 -6.826 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.186 -6.077 -6.215 1.00 0.00 O ATOM 0 H ASP A 103 10.992 -4.935 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 103 13.773 -4.752 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.204 -6.292 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.694 -7.179 -8.314 1.00 0.00 H new ATOM 1528 N THR A 104 14.118 -5.762 -11.603 1.00 0.00 N ATOM 1529 CA THR A 104 14.811 -6.529 -12.722 1.00 0.00 C ATOM 1530 C THR A 104 15.750 -7.672 -12.287 1.00 0.00 C ATOM 1531 O THR A 104 15.822 -8.712 -12.912 1.00 0.00 O ATOM 1532 CB THR A 104 15.614 -5.522 -13.577 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.166 -4.642 -12.612 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.709 -4.623 -14.399 1.00 0.00 C ATOM 0 H THR A 104 14.084 -4.755 -11.760 1.00 0.00 H new ATOM 0 HA THR A 104 14.010 -7.021 -13.273 1.00 0.00 H new ATOM 0 HB THR A 104 16.303 -6.054 -14.233 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.703 -3.957 -13.063 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.316 -3.932 -14.984 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.104 -5.232 -15.071 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.056 -4.058 -13.734 1.00 0.00 H new ATOM 1542 N ASN A 105 16.459 -7.430 -11.222 1.00 0.00 N ATOM 1543 CA ASN A 105 17.408 -8.469 -10.701 1.00 0.00 C ATOM 1544 C ASN A 105 16.729 -9.430 -9.693 1.00 0.00 C ATOM 1545 O ASN A 105 16.975 -10.619 -9.754 1.00 0.00 O ATOM 1546 CB ASN A 105 18.624 -7.734 -10.039 1.00 0.00 C ATOM 1547 CG ASN A 105 18.154 -6.623 -9.108 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.252 -6.794 -8.320 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.714 -5.459 -9.134 1.00 0.00 N ATOM 0 H ASN A 105 16.428 -6.563 -10.686 1.00 0.00 H new ATOM 0 HA ASN A 105 17.746 -9.088 -11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.225 -8.451 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.266 -7.316 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.392 -4.724 -8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.478 -5.275 -9.784 1.00 0.00 H new ATOM 1556 N GLY A 106 15.915 -8.904 -8.813 1.00 0.00 N ATOM 1557 CA GLY A 106 15.196 -9.735 -7.779 1.00 0.00 C ATOM 1558 C GLY A 106 15.722 -9.471 -6.368 1.00 0.00 C ATOM 1559 O GLY A 106 15.237 -10.022 -5.396 1.00 0.00 O ATOM 0 H GLY A 106 15.709 -7.906 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.129 -9.516 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.313 -10.792 -8.018 1.00 0.00 H new ATOM 1563 N ILE A 107 16.721 -8.630 -6.294 1.00 0.00 N ATOM 1564 CA ILE A 107 17.368 -8.245 -5.000 1.00 0.00 C ATOM 1565 C ILE A 107 16.310 -8.009 -3.915 1.00 0.00 C ATOM 1566 O ILE A 107 16.441 -8.517 -2.817 1.00 0.00 O ATOM 1567 CB ILE A 107 18.224 -6.967 -5.244 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.407 -7.279 -6.226 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.774 -6.430 -3.894 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.522 -8.161 -5.595 1.00 0.00 C ATOM 0 H ILE A 107 17.131 -8.176 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 107 18.011 -9.051 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 107 17.591 -6.204 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.013 -7.782 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.845 -6.340 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.371 -5.536 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.942 -6.183 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.395 -7.193 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.307 -8.336 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.943 -7.650 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.098 -9.115 -5.282 1.00 0.00 H new ATOM 1582 N GLY A 108 15.285 -7.256 -4.249 1.00 0.00 N ATOM 1583 CA GLY A 108 14.207 -6.978 -3.249 1.00 0.00 C ATOM 1584 C GLY A 108 13.505 -8.285 -2.861 1.00 0.00 C ATOM 1585 O GLY A 108 13.592 -8.691 -1.722 1.00 0.00 O ATOM 0 H GLY A 108 15.151 -6.826 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.633 -6.507 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.484 -6.277 -3.666 1.00 0.00 H new ATOM 1589 N TYR A 109 12.846 -8.908 -3.802 1.00 0.00 N ATOM 1590 CA TYR A 109 12.111 -10.192 -3.556 1.00 0.00 C ATOM 1591 C TYR A 109 12.858 -11.235 -2.684 1.00 0.00 C ATOM 1592 O TYR A 109 12.253 -11.847 -1.823 1.00 0.00 O ATOM 1593 CB TYR A 109 11.777 -10.744 -4.939 1.00 0.00 C ATOM 1594 CG TYR A 109 10.603 -11.737 -4.805 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.727 -13.036 -4.333 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.354 -11.286 -5.165 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.605 -13.858 -4.228 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.255 -12.098 -5.058 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.357 -13.373 -4.597 1.00 0.00 C ATOM 1600 OH TYR A 109 7.169 -14.072 -4.541 1.00 0.00 O ATOM 0 H TYR A 109 12.783 -8.571 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 109 11.224 -9.982 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.510 -9.932 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.647 -11.243 -5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.697 -13.413 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.238 -10.279 -5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.706 -14.869 -3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.287 -11.717 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 109 7.208 -14.725 -3.812 1.00 0.00 H new ATOM 1610 N GLN A 110 14.135 -11.428 -2.932 1.00 0.00 N ATOM 1611 CA GLN A 110 14.870 -12.435 -2.083 1.00 0.00 C ATOM 1612 C GLN A 110 15.188 -11.823 -0.696 1.00 0.00 C ATOM 1613 O GLN A 110 15.261 -12.560 0.266 1.00 0.00 O ATOM 1614 CB GLN A 110 16.196 -12.873 -2.796 1.00 0.00 C ATOM 1615 CG GLN A 110 16.878 -14.032 -1.944 1.00 0.00 C ATOM 1616 CD GLN A 110 18.196 -14.552 -2.526 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.823 -15.437 -1.995 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.682 -14.056 -3.614 1.00 0.00 N ATOM 0 H GLN A 110 14.684 -10.957 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 110 14.238 -13.313 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.984 -13.222 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.873 -12.024 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.060 -13.665 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.179 -14.864 -1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.188 -13.307 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.560 -14.413 -3.990 1.00 0.00 H new ATOM 1627 N GLN A 111 15.366 -10.524 -0.620 1.00 0.00 N ATOM 1628 CA GLN A 111 15.675 -9.880 0.705 1.00 0.00 C ATOM 1629 C GLN A 111 14.388 -9.571 1.533 1.00 0.00 C ATOM 1630 O GLN A 111 14.329 -9.932 2.690 1.00 0.00 O ATOM 1631 CB GLN A 111 16.487 -8.596 0.403 1.00 0.00 C ATOM 1632 CG GLN A 111 16.938 -7.985 1.775 1.00 0.00 C ATOM 1633 CD GLN A 111 17.834 -6.753 1.660 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.416 -6.306 2.617 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.005 -6.139 0.541 1.00 0.00 N ATOM 0 H GLN A 111 15.312 -9.883 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 111 16.252 -10.564 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.354 -8.828 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.880 -7.881 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.050 -7.720 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.467 -8.751 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.537 -6.474 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.609 -5.318 0.497 1.00 0.00 H new ATOM 1644 N GLY A 112 13.404 -8.919 0.968 1.00 0.00 N ATOM 1645 CA GLY A 112 12.128 -8.599 1.707 1.00 0.00 C ATOM 1646 C GLY A 112 11.631 -7.172 1.574 1.00 0.00 C ATOM 1647 O GLY A 112 10.482 -6.921 1.273 1.00 0.00 O ATOM 0 H GLY A 112 13.425 -8.585 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.346 -9.271 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.279 -8.815 2.765 1.00 0.00 H new ATOM 1651 N HIS A 113 12.528 -6.267 1.804 1.00 0.00 N ATOM 1652 CA HIS A 113 12.187 -4.797 1.720 1.00 0.00 C ATOM 1653 C HIS A 113 13.069 -4.073 0.688 1.00 0.00 C ATOM 1654 O HIS A 113 14.097 -4.601 0.310 1.00 0.00 O ATOM 1655 CB HIS A 113 12.390 -4.187 3.114 1.00 0.00 C ATOM 1656 CG HIS A 113 13.852 -4.141 3.520 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.858 -4.544 2.826 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.412 -3.672 4.684 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.954 -4.349 3.493 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.722 -3.805 4.660 1.00 0.00 N ATOM 0 H HIS A 113 13.497 -6.467 2.050 1.00 0.00 H new ATOM 0 HA HIS A 113 11.153 -4.681 1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.980 -3.177 3.129 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.831 -4.769 3.847 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.802 -4.954 1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.853 -3.251 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.938 -4.605 3.129 1.00 0.00 H new ATOM 1668 N LEU A 114 12.679 -2.903 0.266 1.00 0.00 N ATOM 1669 CA LEU A 114 13.466 -2.118 -0.737 1.00 0.00 C ATOM 1670 C LEU A 114 13.409 -0.604 -0.454 1.00 0.00 C ATOM 1671 O LEU A 114 12.534 -0.162 0.265 1.00 0.00 O ATOM 1672 CB LEU A 114 12.868 -2.439 -2.121 1.00 0.00 C ATOM 1673 CG LEU A 114 13.713 -1.886 -3.277 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.076 -2.615 -3.263 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.966 -2.211 -4.582 1.00 0.00 C ATOM 0 H LEU A 114 11.825 -2.443 0.581 1.00 0.00 H new ATOM 0 HA LEU A 114 14.519 -2.395 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.775 -3.520 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.862 -2.025 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 114 13.872 -0.811 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.697 -2.240 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.576 -2.434 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.917 -3.686 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.536 -1.833 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.849 -3.291 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.983 -1.740 -4.566 1.00 0.00 H new ATOM 1687 N ASN A 115 14.317 0.152 -1.023 1.00 0.00 N ATOM 1688 CA ASN A 115 14.331 1.638 -0.813 1.00 0.00 C ATOM 1689 C ASN A 115 13.869 2.226 -2.174 1.00 0.00 C ATOM 1690 O ASN A 115 14.538 2.174 -3.194 1.00 0.00 O ATOM 1691 CB ASN A 115 15.774 2.067 -0.429 1.00 0.00 C ATOM 1692 CG ASN A 115 15.840 3.580 -0.206 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.570 4.353 -1.090 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.181 4.121 0.917 1.00 0.00 N ATOM 0 H ASN A 115 15.057 -0.199 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 115 13.682 1.988 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.086 1.546 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.468 1.779 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.207 5.137 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.424 3.532 1.714 1.00 0.00 H new ATOM 1701 N VAL A 116 12.678 2.764 -2.099 1.00 0.00 N ATOM 1702 CA VAL A 116 12.011 3.392 -3.294 1.00 0.00 C ATOM 1703 C VAL A 116 11.540 4.841 -3.006 1.00 0.00 C ATOM 1704 O VAL A 116 11.544 5.283 -1.868 1.00 0.00 O ATOM 1705 CB VAL A 116 10.782 2.504 -3.693 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.200 1.016 -3.902 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.766 2.511 -2.514 1.00 0.00 C ATOM 0 H VAL A 116 12.124 2.798 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 116 12.734 3.447 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 116 10.363 2.906 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.325 0.428 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.943 0.955 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.624 0.624 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.903 1.898 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.243 2.107 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.440 3.533 -2.321 1.00 0.00 H new ATOM 1717 N ASN A 117 11.139 5.519 -4.061 1.00 0.00 N ATOM 1718 CA ASN A 117 10.649 6.934 -3.934 1.00 0.00 C ATOM 1719 C ASN A 117 9.305 7.065 -4.694 1.00 0.00 C ATOM 1720 O ASN A 117 9.082 6.320 -5.635 1.00 0.00 O ATOM 1721 CB ASN A 117 11.681 7.888 -4.563 1.00 0.00 C ATOM 1722 CG ASN A 117 13.101 7.549 -4.143 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.479 7.550 -2.994 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.941 7.250 -5.084 1.00 0.00 N ATOM 0 H ASN A 117 11.130 5.149 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 117 10.511 7.188 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.603 7.841 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.452 8.913 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.907 7.020 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.636 7.245 -6.057 1.00 0.00 H new ATOM 1731 N TYR A 118 8.455 7.985 -4.302 1.00 0.00 N ATOM 1732 CA TYR A 118 7.142 8.153 -5.019 1.00 0.00 C ATOM 1733 C TYR A 118 6.556 9.608 -4.990 1.00 0.00 C ATOM 1734 O TYR A 118 6.910 10.435 -4.159 1.00 0.00 O ATOM 1735 CB TYR A 118 6.132 7.133 -4.397 1.00 0.00 C ATOM 1736 CG TYR A 118 5.958 7.411 -2.901 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.140 8.434 -2.465 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.641 6.654 -1.974 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.014 8.695 -1.113 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.515 6.915 -0.628 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.708 7.932 -0.197 1.00 0.00 C ATOM 1742 OH TYR A 118 5.610 8.213 1.145 1.00 0.00 O ATOM 0 H TYR A 118 8.609 8.625 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 118 7.316 7.959 -6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.170 7.208 -4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.493 6.115 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.597 9.032 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.280 5.849 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.373 9.495 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.055 6.315 0.090 1.00 0.00 H new ATOM 0 HH TYR A 118 4.846 8.807 1.300 1.00 0.00 H new ATOM 1752 N GLN A 119 5.671 9.851 -5.923 1.00 0.00 N ATOM 1753 CA GLN A 119 4.979 11.169 -6.082 1.00 0.00 C ATOM 1754 C GLN A 119 3.513 11.003 -6.494 1.00 0.00 C ATOM 1755 O GLN A 119 3.220 10.199 -7.359 1.00 0.00 O ATOM 1756 CB GLN A 119 5.724 12.005 -7.159 1.00 0.00 C ATOM 1757 CG GLN A 119 6.237 13.325 -6.536 1.00 0.00 C ATOM 1758 CD GLN A 119 5.108 14.329 -6.215 1.00 0.00 C ATOM 1759 OE1 GLN A 119 5.338 15.369 -5.650 1.00 0.00 O ATOM 1760 NE2 GLN A 119 3.866 14.148 -6.515 1.00 0.00 N ATOM 0 H GLN A 119 5.387 9.156 -6.613 1.00 0.00 H new ATOM 0 HA GLN A 119 4.996 11.677 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.560 11.433 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.055 12.221 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.783 13.098 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 119 6.944 13.791 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 119 3.576 13.296 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 119 3.174 14.857 -6.272 1.00 0.00 H new ATOM 1769 N PHE A 120 2.634 11.754 -5.880 1.00 0.00 N ATOM 1770 CA PHE A 120 1.189 11.617 -6.278 1.00 0.00 C ATOM 1771 C PHE A 120 1.048 12.062 -7.754 1.00 0.00 C ATOM 1772 O PHE A 120 1.716 12.990 -8.171 1.00 0.00 O ATOM 1773 CB PHE A 120 0.349 12.515 -5.379 1.00 0.00 C ATOM 1774 CG PHE A 120 0.216 11.916 -3.972 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.125 12.213 -2.980 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.835 11.073 -3.677 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.996 11.684 -1.711 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.967 10.543 -2.408 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.057 10.846 -1.424 1.00 0.00 C ATOM 0 H PHE A 120 2.837 12.433 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 120 0.851 10.586 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.806 13.502 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.641 12.649 -5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 120 1.953 12.871 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.558 10.826 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.719 11.927 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.794 9.884 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.167 10.430 -0.434 1.00 0.00 H new ATOM 1789 N VAL A 121 0.209 11.385 -8.486 1.00 0.00 N ATOM 1790 CA VAL A 121 -0.027 11.709 -9.930 1.00 0.00 C ATOM 1791 C VAL A 121 -1.521 11.497 -10.375 1.00 0.00 C ATOM 1792 O VAL A 121 -2.373 11.056 -9.620 1.00 0.00 O ATOM 1793 CB VAL A 121 1.025 10.800 -10.682 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.397 9.862 -11.692 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.089 11.651 -11.421 1.00 0.00 C ATOM 0 H VAL A 121 -0.340 10.599 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 121 0.117 12.764 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 121 1.489 10.205 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.176 9.268 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.305 9.199 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.133 10.442 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.795 10.992 -11.926 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.598 12.289 -12.156 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.623 12.271 -10.701 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.728 11.856 -11.619 1.00 0.00 N ATOM 1806 CA ASP A 122 -3.056 11.746 -12.305 1.00 0.00 C ATOM 1807 C ASP A 122 -3.125 10.351 -12.964 1.00 0.00 C ATOM 1808 O ASP A 122 -2.102 9.752 -13.222 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.169 12.858 -13.395 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.694 14.176 -12.836 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.122 14.645 -11.870 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.650 14.646 -13.433 1.00 0.00 O ATOM 0 H ASP A 122 -0.994 12.239 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.874 11.871 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.189 13.022 -13.844 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.831 12.516 -14.191 1.00 0.00 H new ATOM 1817 N CYS A 123 -4.297 9.851 -13.239 1.00 0.00 N ATOM 1818 CA CYS A 123 -4.350 8.502 -13.869 1.00 0.00 C ATOM 1819 C CYS A 123 -4.322 8.569 -15.384 1.00 0.00 C ATOM 1820 O CYS A 123 -3.506 7.885 -15.978 1.00 0.00 O ATOM 1821 CB CYS A 123 -5.618 7.805 -13.365 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.661 7.559 -11.570 1.00 0.00 S ATOM 0 H CYS A 123 -5.195 10.301 -13.062 1.00 0.00 H new ATOM 0 HA CYS A 123 -3.463 7.935 -13.586 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -6.486 8.394 -13.661 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.707 6.836 -13.856 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.211 9.393 -15.880 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.413 9.656 -17.346 1.00 0.00 C ATOM 1829 C ARG A 124 -5.634 8.306 -18.045 1.00 0.00 C ATOM 1830 O ARG A 124 -4.853 7.837 -18.847 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.152 10.426 -17.904 1.00 0.00 C ATOM 1832 CG ARG A 124 -4.288 12.002 -17.816 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.395 12.542 -18.760 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.145 14.026 -19.003 1.00 0.00 N ATOM 1835 CZ ARG A 124 -5.699 14.966 -18.322 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -6.925 14.864 -18.003 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.985 15.969 -17.996 1.00 0.00 N ATOM 0 H ARG A 124 -5.847 9.929 -15.289 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.286 10.282 -17.531 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.269 10.113 -17.347 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.991 10.140 -18.943 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.514 12.290 -16.789 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.335 12.463 -18.074 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.386 11.997 -19.704 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.378 12.392 -18.315 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.501 14.289 -19.749 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.459 14.043 -18.287 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.375 15.603 -17.463 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.005 16.009 -18.275 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.393 16.732 -17.456 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.748 7.749 -17.662 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.240 6.438 -18.154 1.00 0.00 C ATOM 1853 C ASP A 125 -7.931 6.589 -19.537 1.00 0.00 C ATOM 1854 O ASP A 125 -7.946 5.582 -20.223 1.00 0.00 O ATOM 1855 CB ASP A 125 -8.199 5.936 -17.054 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.500 4.458 -17.145 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.609 3.680 -17.452 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -9.639 4.151 -16.858 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.404 7.677 -19.842 1.00 0.00 O ATOM 0 H ASP A 125 -7.374 8.183 -16.983 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.436 5.721 -18.322 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.764 6.151 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.134 6.493 -17.116 1.00 0.00 H new