USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 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 4 ASN : amide:sc= -0.406 K(o=-1.5,f=-9.2!) USER MOD Set 1.2: A 119 GLN : amide:sc= -1.07 K(o=-1.5,f=-5!) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.197! C(o=0.44!,f=-3.6!) USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.632 USER MOD Single : A 1 GLU N :NH3+ 159:sc= -0.961 (180deg=-2.09!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -140:sc= 0.489 USER MOD Single : A 10 TYR OH : rot -164:sc= 1.26 USER MOD Single : A 11 HIS : no HD1:sc=-0.00436 X(o=-0.0044,f=-0.19) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.32) USER MOD Single : A 18 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 28 SER OG : rot 60:sc= 0.863 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 37 SER OG : rot -107:sc= -0.98 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0151 (180deg=-0.378) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 44 SER OG : rot -138:sc= -1.68! USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0456) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= -0.0946 USER MOD Single : A 60 GLN : amide:sc= -1.01! K(o=-1!,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= -0.3 USER MOD Single : A 77 GLN : amide:sc= 0.753 K(o=0.75,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.546 K(o=-0.55,f=0) USER MOD Single : A 88 ASN : amide:sc= -3.18! K(o=-3.2!,f=-0.27) USER MOD Single : A 97 THR OG1 : rot -69:sc= 0.702 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 101 LYS NZ :NH3+ 141:sc= -0.132 (180deg=-0.949) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -6.58! K(o=-6.6!,f=-1.7) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.394! C(o=-0.39!,f=-5!) USER MOD Single : A 115 ASN : amide:sc= -4.06! K(o=-4.1!,f=-1.6) USER MOD Single : A 117 ASN : amide:sc= -0.308 K(o=-0.31,f=-7.1!) USER MOD Single : A 118 TYR OH : rot 3:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.764 14.070 1.316 1.00 0.00 N ATOM 2 CA GLU A 1 2.463 14.027 -0.152 1.00 0.00 C ATOM 3 C GLU A 1 3.677 13.592 -0.996 1.00 0.00 C ATOM 4 O GLU A 1 3.547 12.863 -1.963 1.00 0.00 O ATOM 5 CB GLU A 1 1.967 15.437 -0.579 1.00 0.00 C ATOM 6 CG GLU A 1 2.810 16.583 0.112 1.00 0.00 C ATOM 7 CD GLU A 1 2.417 17.929 -0.499 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.987 18.227 -1.529 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.569 18.545 0.117 1.00 0.00 O ATOM 0 H1 GLU A 1 2.074 14.685 1.794 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.704 13.110 1.711 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.723 14.445 1.463 1.00 0.00 H new ATOM 0 HA GLU A 1 1.694 13.276 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.037 15.536 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.915 15.549 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.626 16.590 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.876 16.403 -0.028 1.00 0.00 H new ATOM 18 N GLN A 2 4.829 14.062 -0.609 1.00 0.00 N ATOM 19 CA GLN A 2 6.078 13.718 -1.337 1.00 0.00 C ATOM 20 C GLN A 2 7.154 13.141 -0.373 1.00 0.00 C ATOM 21 O GLN A 2 7.749 13.900 0.368 1.00 0.00 O ATOM 22 CB GLN A 2 6.423 15.049 -1.997 1.00 0.00 C ATOM 23 CG GLN A 2 7.254 14.873 -3.255 1.00 0.00 C ATOM 24 CD GLN A 2 7.420 16.247 -3.879 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.348 16.968 -3.597 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.546 16.683 -4.725 1.00 0.00 N ATOM 0 H GLN A 2 4.958 14.679 0.193 1.00 0.00 H new ATOM 0 HA GLN A 2 5.994 12.919 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.503 15.578 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.969 15.672 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.225 14.439 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.762 14.192 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.751 16.099 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.651 17.612 -5.134 1.00 0.00 H new ATOM 35 N ALA A 3 7.376 11.848 -0.386 1.00 0.00 N ATOM 36 CA ALA A 3 8.411 11.256 0.530 1.00 0.00 C ATOM 37 C ALA A 3 9.481 10.571 -0.338 1.00 0.00 C ATOM 38 O ALA A 3 9.156 9.931 -1.326 1.00 0.00 O ATOM 39 CB ALA A 3 7.698 10.258 1.447 1.00 0.00 C ATOM 0 H ALA A 3 6.891 11.179 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 3 8.902 12.009 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.421 9.808 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.932 10.777 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.233 9.478 0.844 1.00 0.00 H new ATOM 45 N ASN A 4 10.724 10.712 0.046 1.00 0.00 N ATOM 46 CA ASN A 4 11.799 10.068 -0.776 1.00 0.00 C ATOM 47 C ASN A 4 12.641 9.120 0.095 1.00 0.00 C ATOM 48 O ASN A 4 12.570 9.171 1.307 1.00 0.00 O ATOM 49 CB ASN A 4 12.669 11.212 -1.407 1.00 0.00 C ATOM 50 CG ASN A 4 11.861 12.490 -1.706 1.00 0.00 C ATOM 51 OD1 ASN A 4 10.674 12.519 -1.941 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.454 13.634 -1.719 1.00 0.00 N ATOM 0 H ASN A 4 11.038 11.229 0.868 1.00 0.00 H new ATOM 0 HA ASN A 4 11.369 9.461 -1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.486 11.456 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.120 10.850 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.923 14.482 -1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.455 13.692 -1.530 1.00 0.00 H new ATOM 59 N ASP A 5 13.409 8.298 -0.559 1.00 0.00 N ATOM 60 CA ASP A 5 14.318 7.278 0.041 1.00 0.00 C ATOM 61 C ASP A 5 13.736 6.728 1.362 1.00 0.00 C ATOM 62 O ASP A 5 14.250 6.906 2.448 1.00 0.00 O ATOM 63 CB ASP A 5 15.661 8.056 0.129 1.00 0.00 C ATOM 64 CG ASP A 5 15.987 8.588 -1.282 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.427 9.617 -1.640 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.774 7.913 -1.920 1.00 0.00 O ATOM 0 H ASP A 5 13.444 8.295 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 5 14.454 6.357 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.581 8.879 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.458 7.404 0.486 1.00 0.00 H new ATOM 71 N VAL A 6 12.639 6.035 1.193 1.00 0.00 N ATOM 72 CA VAL A 6 11.892 5.413 2.340 1.00 0.00 C ATOM 73 C VAL A 6 12.049 3.882 2.293 1.00 0.00 C ATOM 74 O VAL A 6 12.056 3.291 1.228 1.00 0.00 O ATOM 75 CB VAL A 6 10.395 5.779 2.225 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.637 5.396 3.525 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.214 7.292 1.958 1.00 0.00 C ATOM 0 H VAL A 6 12.214 5.867 0.281 1.00 0.00 H new ATOM 0 HA VAL A 6 12.294 5.786 3.282 1.00 0.00 H new ATOM 0 HB VAL A 6 9.983 5.218 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.585 5.662 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.726 4.323 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.068 5.934 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.152 7.523 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.651 7.861 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.712 7.559 1.026 1.00 0.00 H new ATOM 87 N ARG A 7 12.166 3.284 3.448 1.00 0.00 N ATOM 88 CA ARG A 7 12.329 1.795 3.578 1.00 0.00 C ATOM 89 C ARG A 7 10.951 1.178 3.267 1.00 0.00 C ATOM 90 O ARG A 7 10.150 0.969 4.153 1.00 0.00 O ATOM 91 CB ARG A 7 12.804 1.492 5.045 1.00 0.00 C ATOM 92 CG ARG A 7 13.893 2.513 5.519 1.00 0.00 C ATOM 93 CD ARG A 7 13.256 3.665 6.353 1.00 0.00 C ATOM 94 NE ARG A 7 14.284 4.757 6.426 1.00 0.00 N ATOM 95 CZ ARG A 7 14.174 5.808 5.703 1.00 0.00 C ATOM 96 NH1 ARG A 7 13.370 6.724 6.059 1.00 0.00 N ATOM 97 NH2 ARG A 7 14.883 5.853 4.656 1.00 0.00 N ATOM 0 H ARG A 7 12.156 3.778 4.340 1.00 0.00 H new ATOM 0 HA ARG A 7 13.069 1.375 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.949 1.531 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.206 0.480 5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.643 1.997 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.408 2.929 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.341 4.024 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.987 3.319 7.351 1.00 0.00 H new ATOM 0 HE ARG A 7 15.078 4.661 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.821 6.618 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.273 7.566 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.502 5.076 4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.836 6.667 4.043 1.00 0.00 H new ATOM 111 N ALA A 8 10.693 0.898 2.020 1.00 0.00 N ATOM 112 CA ALA A 8 9.365 0.318 1.669 1.00 0.00 C ATOM 113 C ALA A 8 9.272 -1.203 1.874 1.00 0.00 C ATOM 114 O ALA A 8 10.106 -1.992 1.473 1.00 0.00 O ATOM 115 CB ALA A 8 9.081 0.711 0.184 1.00 0.00 C ATOM 0 H ALA A 8 11.333 1.042 1.239 1.00 0.00 H new ATOM 0 HA ALA A 8 8.612 0.723 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.115 0.307 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.066 1.797 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.863 0.303 -0.456 1.00 0.00 H new ATOM 121 N THR A 9 8.206 -1.588 2.520 1.00 0.00 N ATOM 122 CA THR A 9 7.992 -3.042 2.776 1.00 0.00 C ATOM 123 C THR A 9 7.245 -3.535 1.526 1.00 0.00 C ATOM 124 O THR A 9 6.862 -2.733 0.696 1.00 0.00 O ATOM 125 CB THR A 9 7.146 -3.212 4.115 1.00 0.00 C ATOM 126 OG1 THR A 9 6.425 -2.014 4.409 1.00 0.00 O ATOM 127 CG2 THR A 9 8.096 -3.300 5.307 1.00 0.00 C ATOM 0 H THR A 9 7.480 -0.967 2.879 1.00 0.00 H new ATOM 0 HA THR A 9 8.907 -3.615 2.927 1.00 0.00 H new ATOM 0 HB THR A 9 6.508 -4.084 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.452 -1.844 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.519 -3.416 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.757 -4.158 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.691 -2.389 5.366 1.00 0.00 H new ATOM 135 N TYR A 10 7.074 -4.820 1.389 1.00 0.00 N ATOM 136 CA TYR A 10 6.345 -5.302 0.168 1.00 0.00 C ATOM 137 C TYR A 10 5.114 -6.191 0.425 1.00 0.00 C ATOM 138 O TYR A 10 5.035 -7.328 -0.007 1.00 0.00 O ATOM 139 CB TYR A 10 7.436 -6.007 -0.722 1.00 0.00 C ATOM 140 CG TYR A 10 7.703 -7.506 -0.465 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.781 -8.080 0.790 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.894 -8.315 -1.565 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.048 -9.432 0.931 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.159 -9.654 -1.415 1.00 0.00 C ATOM 145 CZ TYR A 10 8.239 -10.222 -0.174 1.00 0.00 C ATOM 146 OH TYR A 10 8.515 -11.564 -0.054 1.00 0.00 O ATOM 0 H TYR A 10 7.391 -5.539 2.039 1.00 0.00 H new ATOM 0 HA TYR A 10 5.886 -4.450 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.145 -5.891 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.376 -5.470 -0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.633 -7.469 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.834 -7.891 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.106 -9.867 1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.307 -10.268 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 10 8.871 -11.902 -0.902 1.00 0.00 H new ATOM 156 N HIS A 11 4.165 -5.627 1.125 1.00 0.00 N ATOM 157 CA HIS A 11 2.952 -6.428 1.397 1.00 0.00 C ATOM 158 C HIS A 11 1.989 -5.775 0.403 1.00 0.00 C ATOM 159 O HIS A 11 1.659 -4.598 0.409 1.00 0.00 O ATOM 160 CB HIS A 11 2.395 -6.257 2.819 1.00 0.00 C ATOM 161 CG HIS A 11 1.792 -7.579 3.235 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.480 -8.616 3.568 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.479 -7.968 3.353 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.670 -9.583 3.876 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.416 -9.222 3.754 1.00 0.00 N ATOM 0 H HIS A 11 4.179 -4.681 1.505 1.00 0.00 H new ATOM 0 HA HIS A 11 3.122 -7.501 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.187 -5.964 3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.643 -5.468 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.375 -7.339 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.990 -10.564 4.194 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.418 -9.783 3.929 1.00 0.00 H new ATOM 173 N TYR A 12 1.610 -6.672 -0.447 1.00 0.00 N ATOM 174 CA TYR A 12 0.684 -6.429 -1.567 1.00 0.00 C ATOM 175 C TYR A 12 -0.653 -7.092 -1.192 1.00 0.00 C ATOM 176 O TYR A 12 -0.919 -8.225 -1.545 1.00 0.00 O ATOM 177 CB TYR A 12 1.400 -7.034 -2.812 1.00 0.00 C ATOM 178 CG TYR A 12 2.107 -8.364 -2.494 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.453 -9.575 -2.562 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.438 -8.346 -2.126 1.00 0.00 C ATOM 181 CE1 TYR A 12 2.119 -10.751 -2.267 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.104 -9.518 -1.832 1.00 0.00 C ATOM 183 CZ TYR A 12 3.446 -10.721 -1.903 1.00 0.00 C ATOM 184 OH TYR A 12 4.119 -11.884 -1.610 1.00 0.00 O ATOM 0 H TYR A 12 1.934 -7.638 -0.402 1.00 0.00 H new ATOM 0 HA TYR A 12 0.452 -5.386 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.670 -7.194 -3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.130 -6.319 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.412 -9.606 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.963 -7.404 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.597 -11.695 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.145 -9.489 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 12 5.047 -11.674 -1.374 1.00 0.00 H new ATOM 194 N TYR A 13 -1.450 -6.353 -0.442 1.00 0.00 N ATOM 195 CA TYR A 13 -2.792 -6.836 0.011 1.00 0.00 C ATOM 196 C TYR A 13 -3.426 -7.626 -1.175 1.00 0.00 C ATOM 197 O TYR A 13 -3.424 -7.074 -2.275 1.00 0.00 O ATOM 198 CB TYR A 13 -3.650 -5.590 0.431 1.00 0.00 C ATOM 199 CG TYR A 13 -4.577 -6.015 1.540 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.069 -6.282 2.792 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.919 -6.158 1.283 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.914 -6.701 3.790 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.764 -6.579 2.287 1.00 0.00 C ATOM 204 CZ TYR A 13 -6.255 -6.851 3.540 1.00 0.00 C ATOM 205 OH TYR A 13 -7.056 -7.290 4.569 1.00 0.00 O ATOM 0 H TYR A 13 -1.214 -5.414 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.731 -7.498 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.004 -4.778 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.220 -5.216 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.014 -6.163 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.310 -5.942 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.522 -6.913 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.820 -6.695 2.094 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.983 -7.352 4.258 1.00 0.00 H new ATOM 215 N ARG A 14 -3.840 -8.811 -0.701 1.00 0.00 N ATOM 216 CA ARG A 14 -4.522 -10.068 -1.258 1.00 0.00 C ATOM 217 C ARG A 14 -3.846 -10.887 -2.398 1.00 0.00 C ATOM 218 O ARG A 14 -3.268 -11.896 -2.038 1.00 0.00 O ATOM 219 CB ARG A 14 -5.987 -9.661 -1.622 1.00 0.00 C ATOM 220 CG ARG A 14 -6.942 -10.233 -0.523 1.00 0.00 C ATOM 221 CD ARG A 14 -7.180 -11.735 -0.797 1.00 0.00 C ATOM 222 NE ARG A 14 -8.270 -12.193 0.134 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.539 -13.427 0.363 1.00 0.00 C ATOM 224 NH1 ARG A 14 -8.545 -14.252 -0.610 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.768 -13.767 1.566 1.00 0.00 N ATOM 0 H ARG A 14 -3.683 -8.973 0.294 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.444 -10.804 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.077 -8.576 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.258 -10.053 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.504 -10.095 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.889 -9.694 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.470 -11.895 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.267 -12.306 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.826 -11.483 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.338 -13.928 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.757 -15.236 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.734 -13.069 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.986 -14.738 1.789 1.00 0.00 H new ATOM 239 N PRO A 15 -3.842 -10.590 -3.671 1.00 0.00 N ATOM 240 CA PRO A 15 -4.788 -9.793 -4.487 1.00 0.00 C ATOM 241 C PRO A 15 -5.669 -10.627 -5.424 1.00 0.00 C ATOM 242 O PRO A 15 -6.687 -11.161 -5.038 1.00 0.00 O ATOM 243 CB PRO A 15 -3.865 -8.942 -5.149 1.00 0.00 C ATOM 244 CG PRO A 15 -2.619 -9.867 -5.493 1.00 0.00 C ATOM 245 CD PRO A 15 -2.720 -11.049 -4.525 1.00 0.00 C ATOM 0 HA PRO A 15 -5.558 -9.273 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.301 -8.516 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.572 -8.107 -4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.651 -10.203 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.680 -9.329 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.941 -11.987 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.802 -11.203 -3.959 1.00 0.00 H new ATOM 253 N ALA A 16 -5.265 -10.724 -6.661 1.00 0.00 N ATOM 254 CA ALA A 16 -6.000 -11.500 -7.697 1.00 0.00 C ATOM 255 C ALA A 16 -6.317 -12.966 -7.235 1.00 0.00 C ATOM 256 O ALA A 16 -7.002 -13.690 -7.920 1.00 0.00 O ATOM 257 CB ALA A 16 -5.100 -11.358 -8.959 1.00 0.00 C ATOM 0 H ALA A 16 -4.417 -10.276 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.004 -11.129 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.552 -11.898 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.003 -10.304 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.114 -11.773 -8.751 1.00 0.00 H new ATOM 263 N GLN A 17 -5.799 -13.357 -6.093 1.00 0.00 N ATOM 264 CA GLN A 17 -6.021 -14.725 -5.493 1.00 0.00 C ATOM 265 C GLN A 17 -7.544 -15.029 -5.581 1.00 0.00 C ATOM 266 O GLN A 17 -7.971 -16.091 -5.984 1.00 0.00 O ATOM 267 CB GLN A 17 -5.532 -14.683 -4.020 1.00 0.00 C ATOM 268 CG GLN A 17 -5.283 -16.135 -3.520 1.00 0.00 C ATOM 269 CD GLN A 17 -4.121 -16.773 -4.286 1.00 0.00 C ATOM 270 OE1 GLN A 17 -4.211 -17.852 -4.824 1.00 0.00 O ATOM 271 NE2 GLN A 17 -2.990 -16.150 -4.372 1.00 0.00 N ATOM 0 H GLN A 17 -5.203 -12.757 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.473 -15.507 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.615 -14.098 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.275 -14.192 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.061 -16.126 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.185 -16.732 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.876 -15.237 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.213 -16.572 -4.881 1.00 0.00 H new ATOM 280 N ASN A 18 -8.322 -14.049 -5.179 1.00 0.00 N ATOM 281 CA ASN A 18 -9.827 -14.140 -5.206 1.00 0.00 C ATOM 282 C ASN A 18 -10.151 -13.079 -6.285 1.00 0.00 C ATOM 283 O ASN A 18 -11.023 -12.259 -6.098 1.00 0.00 O ATOM 284 CB ASN A 18 -10.404 -13.706 -3.830 1.00 0.00 C ATOM 285 CG ASN A 18 -11.894 -14.076 -3.642 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.364 -14.139 -2.530 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.680 -14.330 -4.636 1.00 0.00 N ATOM 0 H ASN A 18 -7.968 -13.162 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.231 -15.132 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.819 -14.171 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.289 -12.628 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.656 -14.572 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.324 -14.288 -5.591 1.00 0.00 H new ATOM 294 N ASN A 19 -9.409 -13.147 -7.374 1.00 0.00 N ATOM 295 CA ASN A 19 -9.527 -12.207 -8.563 1.00 0.00 C ATOM 296 C ASN A 19 -9.782 -10.818 -7.923 1.00 0.00 C ATOM 297 O ASN A 19 -10.606 -10.048 -8.362 1.00 0.00 O ATOM 298 CB ASN A 19 -10.710 -12.729 -9.409 1.00 0.00 C ATOM 299 CG ASN A 19 -10.786 -12.171 -10.835 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.832 -11.800 -11.307 1.00 0.00 O ATOM 301 ND2 ASN A 19 -9.772 -12.075 -11.630 1.00 0.00 N ATOM 0 H ASN A 19 -8.685 -13.854 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.660 -12.146 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.646 -13.816 -9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.639 -12.490 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.897 -11.708 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.847 -12.366 -11.314 1.00 0.00 H new ATOM 308 N TRP A 20 -9.020 -10.629 -6.861 1.00 0.00 N ATOM 309 CA TRP A 20 -8.974 -9.441 -5.949 1.00 0.00 C ATOM 310 C TRP A 20 -10.297 -8.699 -5.815 1.00 0.00 C ATOM 311 O TRP A 20 -10.343 -7.510 -5.587 1.00 0.00 O ATOM 312 CB TRP A 20 -7.828 -8.467 -6.394 1.00 0.00 C ATOM 313 CG TRP A 20 -7.723 -7.862 -7.792 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.590 -7.922 -8.831 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.628 -7.158 -8.179 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.960 -7.258 -9.774 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.777 -6.763 -9.479 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.472 -6.767 -7.515 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.796 -6.021 -10.086 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.517 -6.015 -8.154 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.674 -5.642 -9.439 1.00 0.00 C ATOM 0 H TRP A 20 -8.355 -11.344 -6.568 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.765 -9.832 -4.953 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -7.854 -7.628 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.892 -8.997 -6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.559 -8.398 -8.874 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.372 -7.131 -10.698 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.323 -7.057 -6.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.926 -5.730 -11.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.627 -5.718 -7.619 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.920 -5.053 -9.940 1.00 0.00 H new ATOM 332 N ASP A 21 -11.354 -9.449 -5.936 1.00 0.00 N ATOM 333 CA ASP A 21 -12.689 -8.838 -5.842 1.00 0.00 C ATOM 334 C ASP A 21 -12.922 -7.868 -4.645 1.00 0.00 C ATOM 335 O ASP A 21 -13.253 -8.268 -3.543 1.00 0.00 O ATOM 336 CB ASP A 21 -13.677 -10.016 -5.844 1.00 0.00 C ATOM 337 CG ASP A 21 -15.011 -9.432 -6.264 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.541 -8.702 -5.443 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.392 -9.737 -7.381 1.00 0.00 O ATOM 0 H ASP A 21 -11.343 -10.456 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.828 -8.165 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.356 -10.795 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.743 -10.473 -4.857 1.00 0.00 H new ATOM 344 N LEU A 22 -12.733 -6.588 -4.882 1.00 0.00 N ATOM 345 CA LEU A 22 -12.934 -5.554 -3.825 1.00 0.00 C ATOM 346 C LEU A 22 -14.310 -5.654 -3.126 1.00 0.00 C ATOM 347 O LEU A 22 -14.532 -4.915 -2.185 1.00 0.00 O ATOM 348 CB LEU A 22 -12.800 -4.137 -4.446 1.00 0.00 C ATOM 349 CG LEU A 22 -11.470 -3.923 -5.195 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.460 -2.496 -5.767 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.294 -4.022 -4.255 1.00 0.00 C ATOM 0 H LEU A 22 -12.442 -6.214 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.166 -5.732 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.628 -3.970 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.888 -3.392 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.389 -4.685 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.526 -2.325 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.298 -2.373 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.549 -1.777 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.370 -3.867 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.383 -3.261 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.279 -5.010 -3.794 1.00 0.00 H new ATOM 363 N GLY A 23 -15.188 -6.531 -3.572 1.00 0.00 N ATOM 364 CA GLY A 23 -16.529 -6.655 -2.915 1.00 0.00 C ATOM 365 C GLY A 23 -16.388 -7.602 -1.724 1.00 0.00 C ATOM 366 O GLY A 23 -17.112 -7.507 -0.757 1.00 0.00 O ATOM 0 H GLY A 23 -15.031 -7.161 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.883 -5.678 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.265 -7.039 -3.621 1.00 0.00 H new ATOM 370 N ALA A 24 -15.443 -8.508 -1.850 1.00 0.00 N ATOM 371 CA ALA A 24 -15.155 -9.513 -0.773 1.00 0.00 C ATOM 372 C ALA A 24 -15.080 -8.728 0.578 1.00 0.00 C ATOM 373 O ALA A 24 -14.180 -7.917 0.733 1.00 0.00 O ATOM 374 CB ALA A 24 -13.793 -10.209 -1.096 1.00 0.00 C ATOM 0 H ALA A 24 -14.847 -8.594 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.925 -10.282 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.567 -10.943 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.860 -10.708 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.001 -9.461 -1.128 1.00 0.00 H new ATOM 380 N PRO A 25 -15.995 -8.938 1.505 1.00 0.00 N ATOM 381 CA PRO A 25 -16.090 -8.121 2.765 1.00 0.00 C ATOM 382 C PRO A 25 -14.693 -7.698 3.276 1.00 0.00 C ATOM 383 O PRO A 25 -14.385 -6.548 3.491 1.00 0.00 O ATOM 384 CB PRO A 25 -16.851 -9.018 3.754 1.00 0.00 C ATOM 385 CG PRO A 25 -17.170 -10.344 2.975 1.00 0.00 C ATOM 386 CD PRO A 25 -17.028 -10.004 1.479 1.00 0.00 C ATOM 0 HA PRO A 25 -16.612 -7.176 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.249 -9.221 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.767 -8.535 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.482 -11.139 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.176 -10.697 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.711 -10.866 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.966 -9.653 1.049 1.00 0.00 H new ATOM 394 N ALA A 26 -13.894 -8.719 3.450 1.00 0.00 N ATOM 395 CA ALA A 26 -12.466 -8.651 3.943 1.00 0.00 C ATOM 396 C ALA A 26 -11.586 -7.519 3.353 1.00 0.00 C ATOM 397 O ALA A 26 -10.515 -7.219 3.857 1.00 0.00 O ATOM 398 CB ALA A 26 -11.852 -10.027 3.647 1.00 0.00 C ATOM 0 H ALA A 26 -14.193 -9.675 3.256 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.493 -8.402 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.815 -10.042 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.415 -10.798 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.890 -10.219 2.575 1.00 0.00 H new ATOM 404 N VAL A 27 -12.070 -6.957 2.287 1.00 0.00 N ATOM 405 CA VAL A 27 -11.373 -5.853 1.581 1.00 0.00 C ATOM 406 C VAL A 27 -12.211 -4.567 1.599 1.00 0.00 C ATOM 407 O VAL A 27 -11.853 -3.554 2.166 1.00 0.00 O ATOM 408 CB VAL A 27 -11.144 -6.212 0.093 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.138 -5.227 -0.485 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.612 -7.638 -0.091 1.00 0.00 C ATOM 0 H VAL A 27 -12.955 -7.229 1.860 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.426 -5.702 2.099 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.103 -6.155 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.961 -5.461 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.531 -4.214 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.200 -5.299 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.469 -7.839 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.660 -7.741 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.329 -8.349 0.319 1.00 0.00 H new ATOM 420 N SER A 28 -13.334 -4.730 0.944 1.00 0.00 N ATOM 421 CA SER A 28 -14.367 -3.662 0.744 1.00 0.00 C ATOM 422 C SER A 28 -13.675 -2.278 0.665 1.00 0.00 C ATOM 423 O SER A 28 -13.948 -1.336 1.384 1.00 0.00 O ATOM 424 CB SER A 28 -15.411 -3.691 1.923 1.00 0.00 C ATOM 425 OG SER A 28 -14.751 -3.167 3.067 1.00 0.00 O ATOM 0 H SER A 28 -13.591 -5.618 0.513 1.00 0.00 H new ATOM 0 HA SER A 28 -14.898 -3.845 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.290 -3.095 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.757 -4.708 2.108 1.00 0.00 H new ATOM 0 HG SER A 28 -14.452 -2.252 2.882 1.00 0.00 H new ATOM 431 N ALA A 29 -12.773 -2.236 -0.272 1.00 0.00 N ATOM 432 CA ALA A 29 -11.948 -1.006 -0.548 1.00 0.00 C ATOM 433 C ALA A 29 -12.677 0.297 -1.014 1.00 0.00 C ATOM 434 O ALA A 29 -13.549 0.248 -1.850 1.00 0.00 O ATOM 435 CB ALA A 29 -10.925 -1.454 -1.586 1.00 0.00 C ATOM 0 H ALA A 29 -12.559 -3.024 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.537 -0.674 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.279 -0.615 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.321 -2.264 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.442 -1.804 -2.479 1.00 0.00 H new ATOM 441 N TYR A 30 -12.298 1.445 -0.490 1.00 0.00 N ATOM 442 CA TYR A 30 -12.959 2.746 -0.901 1.00 0.00 C ATOM 443 C TYR A 30 -13.737 2.961 -2.226 1.00 0.00 C ATOM 444 O TYR A 30 -14.931 3.187 -2.236 1.00 0.00 O ATOM 445 CB TYR A 30 -11.890 3.870 -0.839 1.00 0.00 C ATOM 446 CG TYR A 30 -12.329 4.946 0.151 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.380 5.744 -0.255 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.739 5.171 1.372 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.843 6.758 0.547 1.00 0.00 C ATOM 450 CE2 TYR A 30 -12.206 6.195 2.182 1.00 0.00 C ATOM 451 CZ TYR A 30 -13.256 6.992 1.767 1.00 0.00 C ATOM 452 OH TYR A 30 -13.704 8.021 2.560 1.00 0.00 O ATOM 0 H TYR A 30 -11.559 1.543 0.206 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.781 2.740 -0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.929 3.454 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.751 4.307 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.843 5.569 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.916 4.553 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.669 7.372 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.746 6.371 3.143 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.181 8.047 3.389 1.00 0.00 H new ATOM 462 N CYS A 31 -13.031 2.872 -3.312 1.00 0.00 N ATOM 463 CA CYS A 31 -13.642 3.074 -4.661 1.00 0.00 C ATOM 464 C CYS A 31 -14.137 1.769 -5.277 1.00 0.00 C ATOM 465 O CYS A 31 -14.444 1.738 -6.450 1.00 0.00 O ATOM 466 CB CYS A 31 -12.594 3.693 -5.621 1.00 0.00 C ATOM 467 SG CYS A 31 -11.450 5.012 -5.144 1.00 0.00 S ATOM 0 H CYS A 31 -12.033 2.663 -3.328 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.496 3.738 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.977 2.867 -5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.150 4.067 -6.481 1.00 0.00 H new ATOM 472 N ALA A 32 -14.215 0.717 -4.502 1.00 0.00 N ATOM 473 CA ALA A 32 -14.689 -0.593 -5.042 1.00 0.00 C ATOM 474 C ALA A 32 -15.930 -0.368 -5.921 1.00 0.00 C ATOM 475 O ALA A 32 -16.014 -0.791 -7.051 1.00 0.00 O ATOM 476 CB ALA A 32 -14.974 -1.497 -3.821 1.00 0.00 C ATOM 0 H ALA A 32 -13.969 0.710 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.948 -1.075 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.325 -2.471 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.060 -1.624 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.739 -1.035 -3.197 1.00 0.00 H new ATOM 482 N THR A 33 -16.848 0.325 -5.314 1.00 0.00 N ATOM 483 CA THR A 33 -18.178 0.715 -5.900 1.00 0.00 C ATOM 484 C THR A 33 -18.148 1.200 -7.365 1.00 0.00 C ATOM 485 O THR A 33 -19.122 1.123 -8.087 1.00 0.00 O ATOM 486 CB THR A 33 -18.736 1.806 -4.999 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.671 1.293 -3.679 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.225 1.971 -5.172 1.00 0.00 C ATOM 0 H THR A 33 -16.725 0.666 -4.361 1.00 0.00 H new ATOM 0 HA THR A 33 -18.799 -0.180 -5.938 1.00 0.00 H new ATOM 0 HB THR A 33 -18.191 2.726 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.019 1.960 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.583 2.760 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.444 2.237 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.726 1.035 -4.925 1.00 0.00 H new ATOM 496 N TRP A 34 -16.982 1.685 -7.693 1.00 0.00 N ATOM 497 CA TRP A 34 -16.578 2.256 -9.010 1.00 0.00 C ATOM 498 C TRP A 34 -15.533 1.377 -9.770 1.00 0.00 C ATOM 499 O TRP A 34 -15.760 0.967 -10.900 1.00 0.00 O ATOM 500 CB TRP A 34 -16.081 3.704 -8.611 1.00 0.00 C ATOM 501 CG TRP A 34 -17.300 4.484 -8.082 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.460 4.631 -8.779 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.427 5.100 -6.883 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.211 5.323 -7.949 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.679 5.649 -6.785 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.543 5.238 -5.838 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.065 6.331 -5.658 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.919 5.931 -4.679 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.190 6.474 -4.600 1.00 0.00 C ATOM 0 H TRP A 34 -16.215 1.707 -7.021 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.383 2.290 -9.744 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.303 3.646 -7.849 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.646 4.211 -9.473 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -18.703 4.270 -9.767 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.163 5.596 -8.194 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.554 4.810 -5.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.056 6.757 -5.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.226 6.040 -3.858 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.496 7.008 -3.713 1.00 0.00 H new ATOM 520 N ASP A 35 -14.424 1.060 -9.162 1.00 0.00 N ATOM 521 CA ASP A 35 -13.401 0.231 -9.877 1.00 0.00 C ATOM 522 C ASP A 35 -13.700 -1.298 -9.895 1.00 0.00 C ATOM 523 O ASP A 35 -13.358 -1.924 -10.884 1.00 0.00 O ATOM 524 CB ASP A 35 -12.039 0.522 -9.207 1.00 0.00 C ATOM 525 CG ASP A 35 -11.542 1.951 -9.487 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.226 2.843 -9.018 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.523 2.108 -10.137 1.00 0.00 O ATOM 0 H ASP A 35 -14.179 1.334 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.409 0.512 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.128 0.375 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.300 -0.194 -9.566 1.00 0.00 H new ATOM 532 N ALA A 36 -14.314 -1.840 -8.852 1.00 0.00 N ATOM 533 CA ALA A 36 -14.668 -3.320 -8.745 1.00 0.00 C ATOM 534 C ALA A 36 -15.140 -3.970 -10.064 1.00 0.00 C ATOM 535 O ALA A 36 -15.152 -5.167 -10.241 1.00 0.00 O ATOM 536 CB ALA A 36 -15.772 -3.488 -7.679 1.00 0.00 C ATOM 0 H ALA A 36 -14.597 -1.298 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.747 -3.835 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.036 -4.542 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.408 -3.124 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.652 -2.917 -7.974 1.00 0.00 H new ATOM 542 N SER A 37 -15.527 -3.131 -10.966 1.00 0.00 N ATOM 543 CA SER A 37 -16.018 -3.511 -12.314 1.00 0.00 C ATOM 544 C SER A 37 -14.853 -4.066 -13.178 1.00 0.00 C ATOM 545 O SER A 37 -14.986 -5.135 -13.737 1.00 0.00 O ATOM 546 CB SER A 37 -16.661 -2.223 -12.892 1.00 0.00 C ATOM 547 OG SER A 37 -15.620 -1.244 -12.843 1.00 0.00 O ATOM 0 H SER A 37 -15.523 -2.123 -10.813 1.00 0.00 H new ATOM 0 HA SER A 37 -16.753 -4.315 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.010 -2.379 -13.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.524 -1.913 -12.303 1.00 0.00 H new ATOM 0 HG SER A 37 -15.807 -0.603 -12.126 1.00 0.00 H new ATOM 553 N LYS A 38 -13.767 -3.330 -13.283 1.00 0.00 N ATOM 554 CA LYS A 38 -12.534 -3.728 -14.087 1.00 0.00 C ATOM 555 C LYS A 38 -11.392 -4.552 -13.353 1.00 0.00 C ATOM 556 O LYS A 38 -10.279 -4.067 -13.394 1.00 0.00 O ATOM 557 CB LYS A 38 -11.959 -2.392 -14.693 1.00 0.00 C ATOM 558 CG LYS A 38 -13.035 -1.590 -15.430 1.00 0.00 C ATOM 559 CD LYS A 38 -13.306 -0.362 -14.511 1.00 0.00 C ATOM 560 CE LYS A 38 -14.502 0.435 -14.967 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.289 0.820 -16.403 1.00 0.00 N ATOM 0 H LYS A 38 -13.672 -2.424 -12.825 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.872 -4.452 -14.829 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.536 -1.783 -13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.146 -2.626 -15.380 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.692 -1.279 -16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.938 -2.181 -15.579 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.467 -0.704 -13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.426 0.281 -14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.413 -0.154 -14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.624 1.325 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.913 1.616 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.298 1.102 -16.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.508 0.009 -17.016 1.00 0.00 H new ATOM 575 N PRO A 39 -11.591 -5.706 -12.725 1.00 0.00 N ATOM 576 CA PRO A 39 -10.493 -6.414 -11.960 1.00 0.00 C ATOM 577 C PRO A 39 -9.278 -6.606 -12.906 1.00 0.00 C ATOM 578 O PRO A 39 -8.247 -5.992 -12.706 1.00 0.00 O ATOM 579 CB PRO A 39 -11.160 -7.715 -11.485 1.00 0.00 C ATOM 580 CG PRO A 39 -12.318 -7.891 -12.498 1.00 0.00 C ATOM 581 CD PRO A 39 -12.848 -6.472 -12.701 1.00 0.00 C ATOM 0 HA PRO A 39 -10.092 -5.878 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.469 -8.557 -11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.526 -7.633 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.967 -8.324 -13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.091 -8.554 -12.110 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.411 -6.370 -13.629 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -13.507 -6.158 -11.892 1.00 0.00 H new ATOM 589 N LEU A 40 -9.386 -7.491 -13.878 1.00 0.00 N ATOM 590 CA LEU A 40 -8.230 -7.625 -14.793 1.00 0.00 C ATOM 591 C LEU A 40 -8.408 -6.646 -15.980 1.00 0.00 C ATOM 592 O LEU A 40 -7.441 -6.432 -16.683 1.00 0.00 O ATOM 593 CB LEU A 40 -8.062 -9.152 -15.199 1.00 0.00 C ATOM 594 CG LEU A 40 -6.591 -9.580 -14.696 1.00 0.00 C ATOM 595 CD1 LEU A 40 -6.190 -9.111 -13.239 1.00 0.00 C ATOM 596 CD2 LEU A 40 -6.437 -11.121 -14.710 1.00 0.00 C ATOM 0 H LEU A 40 -10.188 -8.093 -14.062 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.293 -7.342 -14.314 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.830 -9.768 -14.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.161 -9.283 -16.277 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.934 -9.071 -15.401 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.182 -9.456 -13.010 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.222 -8.023 -13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.890 -9.531 -12.516 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.438 -11.390 -14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.180 -11.567 -14.048 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.585 -11.492 -15.724 1.00 0.00 H new ATOM 608 N SER A 41 -9.537 -5.982 -16.297 1.00 0.00 N ATOM 609 CA SER A 41 -9.636 -5.038 -17.435 1.00 0.00 C ATOM 610 C SER A 41 -8.407 -4.306 -16.975 1.00 0.00 C ATOM 611 O SER A 41 -8.098 -4.255 -15.779 1.00 0.00 O ATOM 612 CB SER A 41 -10.989 -4.254 -17.369 1.00 0.00 C ATOM 613 OG SER A 41 -10.748 -3.064 -18.105 1.00 0.00 O ATOM 0 H SER A 41 -10.407 -6.083 -15.774 1.00 0.00 H new ATOM 0 HA SER A 41 -9.655 -5.365 -18.475 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.804 -4.832 -17.805 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.270 -4.033 -16.339 1.00 0.00 H new ATOM 0 HG SER A 41 -11.559 -2.514 -18.111 1.00 0.00 H new ATOM 619 N TRP A 42 -7.910 -3.603 -17.906 1.00 0.00 N ATOM 620 CA TRP A 42 -6.556 -2.852 -17.844 1.00 0.00 C ATOM 621 C TRP A 42 -6.177 -3.010 -16.340 1.00 0.00 C ATOM 622 O TRP A 42 -6.022 -2.138 -15.509 1.00 0.00 O ATOM 623 CB TRP A 42 -6.911 -1.563 -18.080 1.00 0.00 C ATOM 624 CG TRP A 42 -5.638 -0.756 -18.200 1.00 0.00 C ATOM 625 CD1 TRP A 42 -5.676 0.515 -18.624 1.00 0.00 C ATOM 626 CD2 TRP A 42 -4.319 -1.156 -17.951 1.00 0.00 C ATOM 627 NE1 TRP A 42 -4.414 0.865 -18.633 1.00 0.00 N ATOM 628 CE2 TRP A 42 -3.518 -0.046 -18.261 1.00 0.00 C ATOM 629 CE3 TRP A 42 -3.672 -2.363 -17.480 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -2.147 -0.106 -18.134 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -2.287 -2.366 -17.366 1.00 0.00 C ATOM 632 CH2 TRP A 42 -1.534 -1.256 -17.694 1.00 0.00 C ATOM 0 H TRP A 42 -8.386 -3.477 -18.799 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.760 -3.176 -18.514 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.500 -1.489 -18.994 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.532 -1.182 -17.269 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.538 1.107 -18.893 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -4.128 1.803 -18.915 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.251 -3.238 -17.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.548 0.758 -18.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.788 -3.257 -17.013 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.458 -1.291 -17.605 1.00 0.00 H new ATOM 643 N ARG A 43 -5.848 -4.330 -16.371 1.00 0.00 N ATOM 644 CA ARG A 43 -5.460 -5.473 -15.382 1.00 0.00 C ATOM 645 C ARG A 43 -5.140 -5.290 -13.953 1.00 0.00 C ATOM 646 O ARG A 43 -4.510 -6.011 -13.201 1.00 0.00 O ATOM 647 CB ARG A 43 -4.251 -6.249 -15.937 1.00 0.00 C ATOM 648 CG ARG A 43 -4.268 -6.662 -17.433 1.00 0.00 C ATOM 649 CD ARG A 43 -2.838 -7.239 -17.654 1.00 0.00 C ATOM 650 NE ARG A 43 -2.620 -7.607 -19.102 1.00 0.00 N ATOM 651 CZ ARG A 43 -1.957 -6.819 -19.865 1.00 0.00 C ATOM 652 NH1 ARG A 43 -2.489 -5.686 -20.070 1.00 0.00 N ATOM 653 NH2 ARG A 43 -0.843 -7.186 -20.370 1.00 0.00 N ATOM 0 H ARG A 43 -5.837 -4.747 -17.302 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.447 -5.935 -15.348 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.361 -5.643 -15.769 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.136 -7.155 -15.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.039 -7.405 -17.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.465 -5.811 -18.084 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.094 -6.504 -17.346 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.696 -8.119 -17.026 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.999 -8.479 -19.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.384 -5.457 -19.638 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.021 -5.004 -20.667 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.472 -8.114 -20.167 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.324 -6.551 -20.976 1.00 0.00 H new ATOM 667 N SER A 44 -5.694 -4.158 -13.814 1.00 0.00 N ATOM 668 CA SER A 44 -5.741 -3.369 -12.566 1.00 0.00 C ATOM 669 C SER A 44 -6.514 -2.102 -12.983 1.00 0.00 C ATOM 670 O SER A 44 -6.045 -1.208 -12.329 1.00 0.00 O ATOM 671 CB SER A 44 -4.314 -3.232 -12.245 1.00 0.00 C ATOM 672 OG SER A 44 -3.719 -2.595 -13.389 1.00 0.00 O ATOM 0 H SER A 44 -6.167 -3.692 -14.588 1.00 0.00 H new ATOM 0 HA SER A 44 -6.240 -3.748 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.170 -2.634 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.859 -4.205 -12.058 1.00 0.00 H new ATOM 0 HG SER A 44 -2.860 -3.022 -13.591 1.00 0.00 H new ATOM 678 N LYS A 45 -7.499 -1.926 -13.856 1.00 0.00 N ATOM 679 CA LYS A 45 -8.069 -0.576 -14.224 1.00 0.00 C ATOM 680 C LYS A 45 -7.779 0.583 -13.299 1.00 0.00 C ATOM 681 O LYS A 45 -8.605 1.246 -12.715 1.00 0.00 O ATOM 682 CB LYS A 45 -9.482 -0.810 -14.464 1.00 0.00 C ATOM 683 CG LYS A 45 -9.927 0.186 -15.660 1.00 0.00 C ATOM 684 CD LYS A 45 -9.267 1.630 -15.564 1.00 0.00 C ATOM 685 CE LYS A 45 -9.440 2.457 -16.808 1.00 0.00 C ATOM 686 NZ LYS A 45 -10.906 2.752 -16.932 1.00 0.00 N ATOM 0 H LYS A 45 -7.947 -2.700 -14.347 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.551 -0.207 -15.109 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.660 -1.849 -14.741 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.064 -0.616 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.658 -0.264 -16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.012 0.290 -15.650 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.703 2.164 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.203 1.520 -15.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.864 3.380 -16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.079 1.918 -17.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.059 3.434 -17.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.421 1.873 -17.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.256 3.154 -16.039 1.00 0.00 H new ATOM 700 N TYR A 46 -6.485 0.758 -13.321 1.00 0.00 N ATOM 701 CA TYR A 46 -5.784 1.818 -12.466 1.00 0.00 C ATOM 702 C TYR A 46 -6.564 2.018 -11.160 1.00 0.00 C ATOM 703 O TYR A 46 -6.925 0.957 -10.708 1.00 0.00 O ATOM 704 CB TYR A 46 -5.540 3.174 -13.226 1.00 0.00 C ATOM 705 CG TYR A 46 -4.079 3.145 -13.750 1.00 0.00 C ATOM 706 CD1 TYR A 46 -3.677 2.239 -14.691 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.115 4.028 -13.246 1.00 0.00 C ATOM 708 CE1 TYR A 46 -2.361 2.197 -15.115 1.00 0.00 C ATOM 709 CE2 TYR A 46 -1.805 3.994 -13.668 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.415 3.069 -14.609 1.00 0.00 C ATOM 711 OH TYR A 46 -0.101 2.993 -15.030 1.00 0.00 O ATOM 0 H TYR A 46 -5.852 0.208 -13.902 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.786 1.449 -12.232 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.243 3.285 -14.051 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.694 4.023 -12.559 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.395 1.548 -15.108 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.408 4.757 -12.505 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.067 1.469 -15.856 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.086 4.691 -13.262 1.00 0.00 H new ATOM 0 HH TYR A 46 0.429 3.680 -14.574 1.00 0.00 H new ATOM 721 N GLY A 47 -6.801 3.161 -10.570 1.00 0.00 N ATOM 722 CA GLY A 47 -7.593 3.309 -9.248 1.00 0.00 C ATOM 723 C GLY A 47 -7.477 1.933 -8.541 1.00 0.00 C ATOM 724 O GLY A 47 -8.434 1.202 -8.444 1.00 0.00 O ATOM 0 H GLY A 47 -6.475 4.052 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.179 4.105 -8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.635 3.565 -9.441 1.00 0.00 H new ATOM 728 N TRP A 48 -6.317 1.589 -8.026 1.00 0.00 N ATOM 729 CA TRP A 48 -6.178 0.266 -7.393 1.00 0.00 C ATOM 730 C TRP A 48 -4.847 0.008 -6.771 1.00 0.00 C ATOM 731 O TRP A 48 -3.904 -0.472 -7.372 1.00 0.00 O ATOM 732 CB TRP A 48 -6.423 -0.927 -8.423 1.00 0.00 C ATOM 733 CG TRP A 48 -6.353 -2.273 -7.663 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.291 -2.773 -6.955 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.374 -3.120 -7.531 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.734 -3.884 -6.418 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.990 -4.161 -6.728 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.643 -3.093 -8.080 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.864 -5.153 -6.472 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.529 -4.113 -7.823 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.129 -5.147 -7.012 1.00 0.00 C ATOM 0 H TRP A 48 -5.478 2.170 -8.023 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.940 0.293 -6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.395 -0.816 -8.903 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.673 -0.902 -9.213 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.304 -2.345 -6.860 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.164 -4.479 -5.817 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.939 -2.269 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.566 -5.969 -5.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.521 -4.101 -8.251 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.810 -5.958 -6.798 1.00 0.00 H new ATOM 752 N THR A 49 -4.790 0.467 -5.583 1.00 0.00 N ATOM 753 CA THR A 49 -3.604 0.271 -4.760 1.00 0.00 C ATOM 754 C THR A 49 -4.115 0.491 -3.338 1.00 0.00 C ATOM 755 O THR A 49 -4.661 1.568 -3.093 1.00 0.00 O ATOM 756 CB THR A 49 -2.472 1.258 -5.161 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.327 0.565 -4.674 1.00 0.00 O ATOM 758 CG2 THR A 49 -2.403 2.522 -4.354 1.00 0.00 C ATOM 0 H THR A 49 -5.542 0.988 -5.131 1.00 0.00 H new ATOM 0 HA THR A 49 -3.151 -0.713 -4.877 1.00 0.00 H new ATOM 0 HB THR A 49 -2.585 1.517 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.583 1.195 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.580 3.139 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.340 3.070 -4.456 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.239 2.275 -3.305 1.00 0.00 H new ATOM 766 N ALA A 50 -4.032 -0.446 -2.428 1.00 0.00 N ATOM 767 CA ALA A 50 -4.552 0.042 -1.048 1.00 0.00 C ATOM 768 C ALA A 50 -3.305 0.835 -0.558 1.00 0.00 C ATOM 769 O ALA A 50 -2.310 0.745 -1.247 1.00 0.00 O ATOM 770 CB ALA A 50 -4.740 -1.023 0.089 1.00 0.00 C ATOM 0 H ALA A 50 -3.686 -1.401 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.527 0.506 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.108 -0.532 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.459 -1.776 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.784 -1.502 0.301 1.00 0.00 H new ATOM 776 N PHE A 51 -3.327 1.588 0.526 1.00 0.00 N ATOM 777 CA PHE A 51 -2.048 2.303 0.913 1.00 0.00 C ATOM 778 C PHE A 51 -1.727 2.488 2.431 1.00 0.00 C ATOM 779 O PHE A 51 -2.584 2.847 3.219 1.00 0.00 O ATOM 780 CB PHE A 51 -2.031 3.738 0.181 1.00 0.00 C ATOM 781 CG PHE A 51 -0.966 4.661 0.827 1.00 0.00 C ATOM 782 CD1 PHE A 51 -1.222 5.293 2.031 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.259 4.867 0.238 1.00 0.00 C ATOM 784 CE1 PHE A 51 -0.290 6.105 2.633 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.201 5.678 0.834 1.00 0.00 C ATOM 786 CZ PHE A 51 0.929 6.299 2.033 1.00 0.00 C ATOM 0 H PHE A 51 -4.131 1.737 1.136 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.258 1.627 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.815 3.610 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.015 4.202 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.178 5.145 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.486 4.388 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.516 6.587 3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.159 5.827 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.669 6.934 2.497 1.00 0.00 H new ATOM 796 N CYS A 52 -0.489 2.231 2.785 1.00 0.00 N ATOM 797 CA CYS A 52 0.008 2.371 4.218 1.00 0.00 C ATOM 798 C CYS A 52 1.447 2.986 4.507 1.00 0.00 C ATOM 799 O CYS A 52 2.361 2.286 4.900 1.00 0.00 O ATOM 800 CB CYS A 52 -0.084 0.965 4.881 1.00 0.00 C ATOM 801 SG CYS A 52 0.362 -0.509 3.938 1.00 0.00 S ATOM 0 H CYS A 52 0.228 1.920 2.129 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.645 3.136 4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.546 0.984 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.111 0.834 5.221 1.00 0.00 H new ATOM 806 N GLY A 53 1.636 4.273 4.307 1.00 0.00 N ATOM 807 CA GLY A 53 2.993 4.900 4.581 1.00 0.00 C ATOM 808 C GLY A 53 2.947 6.062 5.623 1.00 0.00 C ATOM 809 O GLY A 53 1.919 6.699 5.737 1.00 0.00 O ATOM 0 H GLY A 53 0.922 4.918 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.674 4.129 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.404 5.279 3.645 1.00 0.00 H new ATOM 813 N PRO A 54 4.035 6.316 6.341 1.00 0.00 N ATOM 814 CA PRO A 54 4.146 7.429 7.351 1.00 0.00 C ATOM 815 C PRO A 54 3.860 8.836 6.793 1.00 0.00 C ATOM 816 O PRO A 54 3.196 9.646 7.404 1.00 0.00 O ATOM 817 CB PRO A 54 5.581 7.282 7.906 1.00 0.00 C ATOM 818 CG PRO A 54 6.327 6.657 6.703 1.00 0.00 C ATOM 819 CD PRO A 54 5.326 5.566 6.267 1.00 0.00 C ATOM 0 HA PRO A 54 3.380 7.338 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.007 8.242 8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.615 6.639 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.515 7.383 5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.293 6.240 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.531 5.196 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.340 4.703 6.933 1.00 0.00 H new ATOM 827 N ALA A 55 4.381 9.099 5.626 1.00 0.00 N ATOM 828 CA ALA A 55 4.188 10.428 4.969 1.00 0.00 C ATOM 829 C ALA A 55 3.306 10.266 3.703 1.00 0.00 C ATOM 830 O ALA A 55 3.679 9.615 2.746 1.00 0.00 O ATOM 831 CB ALA A 55 5.608 10.973 4.653 1.00 0.00 C ATOM 0 H ALA A 55 4.943 8.438 5.089 1.00 0.00 H new ATOM 0 HA ALA A 55 3.664 11.137 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.525 11.947 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.173 11.075 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.124 10.281 3.988 1.00 0.00 H new ATOM 837 N GLY A 56 2.153 10.870 3.756 1.00 0.00 N ATOM 838 CA GLY A 56 1.177 10.806 2.613 1.00 0.00 C ATOM 839 C GLY A 56 -0.264 11.029 3.092 1.00 0.00 C ATOM 840 O GLY A 56 -1.088 10.139 3.008 1.00 0.00 O ATOM 0 H GLY A 56 1.832 11.418 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.435 11.560 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.253 9.836 2.122 1.00 0.00 H new ATOM 844 N PRO A 57 -0.559 12.230 3.565 1.00 0.00 N ATOM 845 CA PRO A 57 -1.883 12.501 4.201 1.00 0.00 C ATOM 846 C PRO A 57 -3.017 12.306 3.178 1.00 0.00 C ATOM 847 O PRO A 57 -3.283 13.138 2.333 1.00 0.00 O ATOM 848 CB PRO A 57 -1.785 13.958 4.753 1.00 0.00 C ATOM 849 CG PRO A 57 -0.361 14.484 4.409 1.00 0.00 C ATOM 850 CD PRO A 57 0.319 13.426 3.514 1.00 0.00 C ATOM 0 HA PRO A 57 -2.117 11.812 5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.549 14.592 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.951 13.974 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.420 15.442 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.218 14.647 5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.427 13.789 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.320 13.192 3.876 1.00 0.00 H new ATOM 858 N ARG A 58 -3.658 11.182 3.278 1.00 0.00 N ATOM 859 CA ARG A 58 -4.779 10.864 2.344 1.00 0.00 C ATOM 860 C ARG A 58 -5.908 10.026 2.989 1.00 0.00 C ATOM 861 O ARG A 58 -5.830 9.616 4.129 1.00 0.00 O ATOM 862 CB ARG A 58 -4.059 10.218 1.112 1.00 0.00 C ATOM 863 CG ARG A 58 -4.453 8.777 0.744 1.00 0.00 C ATOM 864 CD ARG A 58 -3.820 7.786 1.700 1.00 0.00 C ATOM 865 NE ARG A 58 -4.939 6.967 2.276 1.00 0.00 N ATOM 866 CZ ARG A 58 -4.787 6.442 3.435 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.239 5.298 3.396 1.00 0.00 N ATOM 868 NH2 ARG A 58 -5.143 7.017 4.519 1.00 0.00 N ATOM 0 H ARG A 58 -3.456 10.460 3.970 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.348 11.743 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.242 10.851 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.985 10.237 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.538 8.673 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.137 8.558 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.103 7.150 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.274 8.304 2.488 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.805 6.831 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.970 4.892 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.068 4.785 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.573 7.942 4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.998 6.551 5.415 1.00 0.00 H new ATOM 882 N GLY A 59 -6.938 9.760 2.234 1.00 0.00 N ATOM 883 CA GLY A 59 -8.105 8.949 2.750 1.00 0.00 C ATOM 884 C GLY A 59 -9.483 9.456 2.279 1.00 0.00 C ATOM 885 O GLY A 59 -10.332 8.641 1.965 1.00 0.00 O ATOM 0 H GLY A 59 -7.032 10.069 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.983 7.914 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.082 8.952 3.840 1.00 0.00 H new ATOM 889 N GLN A 60 -9.657 10.759 2.286 1.00 0.00 N ATOM 890 CA GLN A 60 -10.954 11.390 1.840 1.00 0.00 C ATOM 891 C GLN A 60 -10.954 11.703 0.316 1.00 0.00 C ATOM 892 O GLN A 60 -11.385 10.915 -0.504 1.00 0.00 O ATOM 893 CB GLN A 60 -11.209 12.714 2.617 1.00 0.00 C ATOM 894 CG GLN A 60 -11.489 12.522 4.145 1.00 0.00 C ATOM 895 CD GLN A 60 -11.750 13.897 4.805 1.00 0.00 C ATOM 896 OE1 GLN A 60 -11.995 14.036 5.983 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.711 14.976 4.090 1.00 0.00 N ATOM 0 H GLN A 60 -8.946 11.426 2.586 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.744 10.669 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.342 13.364 2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.058 13.228 2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.351 11.870 4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.639 12.035 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.509 14.919 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.882 15.883 4.525 1.00 0.00 H new ATOM 906 N ALA A 61 -10.433 12.850 -0.060 1.00 0.00 N ATOM 907 CA ALA A 61 -10.409 13.217 -1.516 1.00 0.00 C ATOM 908 C ALA A 61 -9.105 12.677 -2.114 1.00 0.00 C ATOM 909 O ALA A 61 -8.237 13.359 -2.627 1.00 0.00 O ATOM 910 CB ALA A 61 -10.506 14.764 -1.635 1.00 0.00 C ATOM 0 H ALA A 61 -10.027 13.542 0.571 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.247 12.784 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.490 15.050 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.435 15.106 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.661 15.222 -1.122 1.00 0.00 H new ATOM 916 N ALA A 62 -9.052 11.379 -1.989 1.00 0.00 N ATOM 917 CA ALA A 62 -7.916 10.541 -2.473 1.00 0.00 C ATOM 918 C ALA A 62 -8.444 9.580 -3.569 1.00 0.00 C ATOM 919 O ALA A 62 -7.736 9.323 -4.522 1.00 0.00 O ATOM 920 CB ALA A 62 -7.358 9.808 -1.246 1.00 0.00 C ATOM 0 H ALA A 62 -9.793 10.837 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.114 11.124 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.521 9.178 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.017 10.537 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.139 9.187 -0.807 1.00 0.00 H new ATOM 926 N CYS A 63 -9.653 9.088 -3.402 1.00 0.00 N ATOM 927 CA CYS A 63 -10.259 8.155 -4.415 1.00 0.00 C ATOM 928 C CYS A 63 -10.298 8.910 -5.759 1.00 0.00 C ATOM 929 O CYS A 63 -11.263 9.550 -6.128 1.00 0.00 O ATOM 930 CB CYS A 63 -11.701 7.750 -3.988 1.00 0.00 C ATOM 931 SG CYS A 63 -12.479 6.745 -5.274 1.00 0.00 S ATOM 0 H CYS A 63 -10.251 9.294 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.670 7.242 -4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.667 7.192 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.298 8.644 -3.805 1.00 0.00 H new ATOM 936 N GLY A 64 -9.204 8.809 -6.453 1.00 0.00 N ATOM 937 CA GLY A 64 -9.052 9.486 -7.779 1.00 0.00 C ATOM 938 C GLY A 64 -7.589 9.768 -8.083 1.00 0.00 C ATOM 939 O GLY A 64 -7.269 10.020 -9.221 1.00 0.00 O ATOM 0 H GLY A 64 -8.387 8.275 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.475 8.858 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.614 10.420 -7.781 1.00 0.00 H new ATOM 943 N LYS A 65 -6.721 9.726 -7.104 1.00 0.00 N ATOM 944 CA LYS A 65 -5.272 9.998 -7.378 1.00 0.00 C ATOM 945 C LYS A 65 -4.391 8.731 -7.413 1.00 0.00 C ATOM 946 O LYS A 65 -4.751 7.642 -6.999 1.00 0.00 O ATOM 947 CB LYS A 65 -4.690 10.933 -6.293 1.00 0.00 C ATOM 948 CG LYS A 65 -5.407 12.289 -6.258 1.00 0.00 C ATOM 949 CD LYS A 65 -4.431 13.271 -5.567 1.00 0.00 C ATOM 950 CE LYS A 65 -5.084 14.614 -5.361 1.00 0.00 C ATOM 951 NZ LYS A 65 -3.989 15.580 -5.005 1.00 0.00 N ATOM 0 H LYS A 65 -6.948 9.517 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.250 10.454 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.774 10.453 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.628 11.089 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.652 12.627 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.345 12.220 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.116 12.863 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.533 13.387 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.603 14.934 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.829 14.564 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.396 16.525 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.516 15.263 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.297 15.621 -5.780 1.00 0.00 H new ATOM 965 N CYS A 66 -3.207 8.954 -7.928 1.00 0.00 N ATOM 966 CA CYS A 66 -2.170 7.900 -8.068 1.00 0.00 C ATOM 967 C CYS A 66 -0.903 8.211 -7.234 1.00 0.00 C ATOM 968 O CYS A 66 -0.664 9.272 -6.694 1.00 0.00 O ATOM 969 CB CYS A 66 -1.852 7.763 -9.573 1.00 0.00 C ATOM 970 SG CYS A 66 -2.712 6.395 -10.392 1.00 0.00 S ATOM 0 H CYS A 66 -2.911 9.868 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.545 6.955 -7.675 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.114 8.695 -10.075 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.777 7.627 -9.695 1.00 0.00 H new ATOM 975 N LEU A 67 -0.099 7.205 -7.160 1.00 0.00 N ATOM 976 CA LEU A 67 1.192 7.227 -6.406 1.00 0.00 C ATOM 977 C LEU A 67 2.371 6.861 -7.354 1.00 0.00 C ATOM 978 O LEU A 67 2.396 5.746 -7.831 1.00 0.00 O ATOM 979 CB LEU A 67 0.934 6.216 -5.246 1.00 0.00 C ATOM 980 CG LEU A 67 1.451 6.743 -3.917 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.111 5.738 -2.813 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.950 6.891 -4.022 1.00 0.00 C ATOM 0 H LEU A 67 -0.287 6.312 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 67 1.485 8.198 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.135 6.017 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.419 5.267 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 67 0.994 7.704 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.479 6.110 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.030 5.608 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.581 4.780 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.345 7.268 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.397 5.921 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.191 7.590 -4.822 1.00 0.00 H new ATOM 994 N ARG A 68 3.316 7.722 -7.629 1.00 0.00 N ATOM 995 CA ARG A 68 4.422 7.286 -8.570 1.00 0.00 C ATOM 996 C ARG A 68 5.531 6.649 -7.737 1.00 0.00 C ATOM 997 O ARG A 68 5.966 7.289 -6.801 1.00 0.00 O ATOM 998 CB ARG A 68 5.006 8.524 -9.326 1.00 0.00 C ATOM 999 CG ARG A 68 5.974 8.130 -10.500 1.00 0.00 C ATOM 1000 CD ARG A 68 6.686 9.411 -11.019 1.00 0.00 C ATOM 1001 NE ARG A 68 7.432 9.081 -12.300 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.468 9.835 -13.339 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.483 10.592 -13.617 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.527 9.760 -14.041 1.00 0.00 N ATOM 0 H ARG A 68 3.382 8.673 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 68 4.026 6.579 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.185 9.119 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.542 9.155 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.710 7.404 -10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.414 7.657 -11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.956 10.199 -11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.379 9.787 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 68 7.941 8.198 -12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.661 10.601 -13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.516 11.189 -14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.279 9.129 -13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.624 10.331 -14.881 1.00 0.00 H new ATOM 1018 N VAL A 69 5.935 5.453 -8.094 1.00 0.00 N ATOM 1019 CA VAL A 69 7.022 4.720 -7.363 1.00 0.00 C ATOM 1020 C VAL A 69 8.168 4.460 -8.361 1.00 0.00 C ATOM 1021 O VAL A 69 7.916 4.036 -9.472 1.00 0.00 O ATOM 1022 CB VAL A 69 6.541 3.326 -6.841 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.679 2.637 -6.050 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.308 3.423 -5.959 1.00 0.00 C ATOM 0 H VAL A 69 5.546 4.939 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 69 7.329 5.328 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 69 6.274 2.736 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.336 1.667 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.542 2.498 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.961 3.260 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.020 2.426 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.529 4.045 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.490 3.867 -6.525 1.00 0.00 H new ATOM 1034 N THR A 70 9.366 4.744 -7.902 1.00 0.00 N ATOM 1035 CA THR A 70 10.641 4.555 -8.706 1.00 0.00 C ATOM 1036 C THR A 70 11.718 3.775 -7.877 1.00 0.00 C ATOM 1037 O THR A 70 11.795 3.967 -6.674 1.00 0.00 O ATOM 1038 CB THR A 70 11.213 5.934 -9.102 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.317 6.493 -10.060 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.488 5.748 -9.915 1.00 0.00 C ATOM 0 H THR A 70 9.527 5.115 -6.966 1.00 0.00 H new ATOM 0 HA THR A 70 10.398 3.977 -9.598 1.00 0.00 H new ATOM 0 HB THR A 70 11.367 6.526 -8.200 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.644 7.374 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.888 6.723 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.225 5.210 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.265 5.178 -10.817 1.00 0.00 H new ATOM 1048 N ASN A 71 12.508 2.953 -8.540 1.00 0.00 N ATOM 1049 CA ASN A 71 13.613 2.104 -7.917 1.00 0.00 C ATOM 1050 C ASN A 71 15.141 2.399 -8.276 1.00 0.00 C ATOM 1051 O ASN A 71 15.663 1.839 -9.237 1.00 0.00 O ATOM 1052 CB ASN A 71 13.236 0.642 -8.283 1.00 0.00 C ATOM 1053 CG ASN A 71 14.311 -0.382 -7.847 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.250 -0.053 -7.155 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.253 -1.620 -8.201 1.00 0.00 N ATOM 0 H ASN A 71 12.433 2.824 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 71 13.625 2.349 -6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.286 0.388 -7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.087 0.569 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.977 -2.271 -7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.483 -1.948 -8.784 1.00 0.00 H new ATOM 1062 N PRO A 72 15.779 3.236 -7.467 1.00 0.00 N ATOM 1063 CA PRO A 72 17.100 3.906 -7.743 1.00 0.00 C ATOM 1064 C PRO A 72 18.245 2.969 -8.167 1.00 0.00 C ATOM 1065 O PRO A 72 19.271 3.425 -8.632 1.00 0.00 O ATOM 1066 CB PRO A 72 17.509 4.639 -6.460 1.00 0.00 C ATOM 1067 CG PRO A 72 16.400 4.383 -5.422 1.00 0.00 C ATOM 1068 CD PRO A 72 15.250 3.624 -6.120 1.00 0.00 C ATOM 0 HA PRO A 72 16.946 4.566 -8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.469 4.273 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.624 5.707 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.788 3.800 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.039 5.326 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.956 2.745 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.365 4.254 -6.213 1.00 0.00 H new ATOM 1076 N ALA A 73 18.056 1.692 -7.973 1.00 0.00 N ATOM 1077 CA ALA A 73 19.094 0.675 -8.334 1.00 0.00 C ATOM 1078 C ALA A 73 18.932 0.168 -9.777 1.00 0.00 C ATOM 1079 O ALA A 73 19.884 -0.239 -10.411 1.00 0.00 O ATOM 1080 CB ALA A 73 18.977 -0.485 -7.336 1.00 0.00 C ATOM 0 H ALA A 73 17.206 1.299 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 73 20.081 1.134 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.722 -1.245 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.146 -0.114 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.980 -0.921 -7.401 1.00 0.00 H new ATOM 1086 N THR A 74 17.719 0.199 -10.254 1.00 0.00 N ATOM 1087 CA THR A 74 17.464 -0.279 -11.665 1.00 0.00 C ATOM 1088 C THR A 74 17.096 0.870 -12.575 1.00 0.00 C ATOM 1089 O THR A 74 17.405 0.895 -13.752 1.00 0.00 O ATOM 1090 CB THR A 74 16.289 -1.277 -11.745 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.119 -0.614 -11.269 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.472 -2.418 -10.769 1.00 0.00 C ATOM 0 H THR A 74 16.897 0.527 -9.747 1.00 0.00 H new ATOM 0 HA THR A 74 18.393 -0.757 -11.976 1.00 0.00 H new ATOM 0 HB THR A 74 16.227 -1.633 -12.773 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.356 -1.227 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.629 -3.104 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.395 -2.950 -11.000 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.524 -2.024 -9.754 1.00 0.00 H new ATOM 1100 N GLY A 75 16.428 1.804 -11.964 1.00 0.00 N ATOM 1101 CA GLY A 75 15.967 3.005 -12.699 1.00 0.00 C ATOM 1102 C GLY A 75 14.508 2.754 -13.063 1.00 0.00 C ATOM 1103 O GLY A 75 13.871 3.654 -13.564 1.00 0.00 O ATOM 0 H GLY A 75 16.180 1.784 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.065 3.899 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.568 3.167 -13.594 1.00 0.00 H new ATOM 1107 N ALA A 76 13.990 1.570 -12.816 1.00 0.00 N ATOM 1108 CA ALA A 76 12.560 1.339 -13.186 1.00 0.00 C ATOM 1109 C ALA A 76 11.564 2.111 -12.297 1.00 0.00 C ATOM 1110 O ALA A 76 11.799 2.413 -11.141 1.00 0.00 O ATOM 1111 CB ALA A 76 12.284 -0.175 -13.099 1.00 0.00 C ATOM 0 H ALA A 76 14.477 0.782 -12.390 1.00 0.00 H new ATOM 0 HA ALA A 76 12.409 1.715 -14.198 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.245 -0.371 -13.365 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.941 -0.705 -13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.470 -0.521 -12.082 1.00 0.00 H new ATOM 1117 N GLN A 77 10.457 2.410 -12.915 1.00 0.00 N ATOM 1118 CA GLN A 77 9.353 3.156 -12.236 1.00 0.00 C ATOM 1119 C GLN A 77 7.949 2.717 -12.722 1.00 0.00 C ATOM 1120 O GLN A 77 7.791 2.272 -13.843 1.00 0.00 O ATOM 1121 CB GLN A 77 9.587 4.682 -12.494 1.00 0.00 C ATOM 1122 CG GLN A 77 9.797 4.975 -14.021 1.00 0.00 C ATOM 1123 CD GLN A 77 9.814 6.476 -14.320 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.332 7.304 -13.570 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.357 6.883 -15.429 1.00 0.00 N ATOM 0 H GLN A 77 10.263 2.164 -13.886 1.00 0.00 H new ATOM 0 HA GLN A 77 9.374 2.935 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.733 5.251 -12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.459 5.019 -11.933 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.736 4.529 -14.350 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.001 4.500 -14.594 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.768 6.208 -16.074 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.372 7.878 -15.654 1.00 0.00 H new ATOM 1134 N ILE A 78 6.998 2.863 -11.834 1.00 0.00 N ATOM 1135 CA ILE A 78 5.548 2.519 -12.053 1.00 0.00 C ATOM 1136 C ILE A 78 4.608 3.531 -11.317 1.00 0.00 C ATOM 1137 O ILE A 78 5.076 4.296 -10.492 1.00 0.00 O ATOM 1138 CB ILE A 78 5.375 1.118 -11.520 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.153 0.431 -12.180 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.183 1.166 -9.988 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.581 -0.203 -13.515 1.00 0.00 C ATOM 0 H ILE A 78 7.179 3.232 -10.901 1.00 0.00 H new ATOM 0 HA ILE A 78 5.279 2.577 -13.108 1.00 0.00 H new ATOM 0 HB ILE A 78 6.268 0.540 -11.758 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.749 -0.333 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.360 1.159 -12.349 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.058 0.153 -9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.058 1.623 -9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.297 1.755 -9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.722 -0.687 -13.980 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.965 0.571 -14.179 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.360 -0.944 -13.333 1.00 0.00 H new ATOM 1153 N THR A 79 3.331 3.513 -11.614 1.00 0.00 N ATOM 1154 CA THR A 79 2.367 4.457 -10.936 1.00 0.00 C ATOM 1155 C THR A 79 1.246 3.645 -10.314 1.00 0.00 C ATOM 1156 O THR A 79 0.483 3.033 -11.040 1.00 0.00 O ATOM 1157 CB THR A 79 1.787 5.432 -11.966 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.940 6.144 -12.394 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.035 6.563 -11.334 1.00 0.00 C ATOM 0 H THR A 79 2.907 2.886 -12.298 1.00 0.00 H new ATOM 0 HA THR A 79 2.886 5.025 -10.164 1.00 0.00 H new ATOM 0 HB THR A 79 1.172 4.878 -12.675 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.683 6.807 -13.069 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.647 7.221 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.206 6.166 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.704 7.126 -10.683 1.00 0.00 H new ATOM 1167 N ALA A 80 1.145 3.638 -9.014 1.00 0.00 N ATOM 1168 CA ALA A 80 0.035 2.824 -8.423 1.00 0.00 C ATOM 1169 C ALA A 80 -1.203 3.707 -8.299 1.00 0.00 C ATOM 1170 O ALA A 80 -1.114 4.914 -8.246 1.00 0.00 O ATOM 1171 CB ALA A 80 0.334 2.316 -7.028 1.00 0.00 C ATOM 0 H ALA A 80 1.749 4.133 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.103 1.968 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.513 1.735 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.223 1.685 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.508 3.161 -6.362 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.333 3.082 -8.254 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.587 3.808 -8.144 1.00 0.00 C ATOM 1179 C ARG A 81 -4.210 3.941 -6.702 1.00 0.00 C ATOM 1180 O ARG A 81 -4.874 3.022 -6.265 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.251 2.989 -9.174 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.473 2.975 -10.520 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.571 1.695 -10.758 1.00 0.00 C ATOM 1184 NE ARG A 81 -3.353 0.470 -10.358 1.00 0.00 N ATOM 1185 CZ ARG A 81 -3.002 -0.724 -10.612 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -2.851 -1.012 -11.827 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -2.844 -1.518 -9.640 1.00 0.00 N ATOM 0 H ARG A 81 -2.430 2.067 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.606 4.887 -8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.356 1.967 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.257 3.372 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.190 3.053 -11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.840 3.861 -10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.277 1.630 -11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.654 1.765 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.225 0.610 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.010 -0.303 -12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.570 -1.955 -12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.998 -1.193 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.563 -2.483 -9.811 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.975 5.041 -6.020 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.520 5.288 -4.619 1.00 0.00 C ATOM 1203 C ILE A 82 -6.036 5.045 -4.371 1.00 0.00 C ATOM 1204 O ILE A 82 -6.848 5.883 -4.717 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.242 6.754 -4.172 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.745 7.134 -4.378 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.646 6.862 -2.660 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.404 8.435 -3.622 1.00 0.00 C ATOM 0 H ILE A 82 -3.410 5.810 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.987 4.531 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.824 7.451 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.107 6.324 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.540 7.261 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.466 7.877 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.703 6.621 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.050 6.163 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.354 8.683 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.028 9.247 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.589 8.296 -2.557 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.389 3.928 -3.777 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.857 3.664 -3.518 1.00 0.00 C ATOM 1222 C VAL A 83 -8.218 3.535 -2.041 1.00 0.00 C ATOM 1223 O VAL A 83 -9.057 4.244 -1.524 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.247 2.367 -4.257 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -9.683 1.871 -3.892 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.268 2.682 -5.730 1.00 0.00 C ATOM 0 H VAL A 83 -5.748 3.199 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.410 4.529 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.530 1.595 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.902 0.956 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.739 1.674 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.411 2.637 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.541 1.787 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.998 3.468 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.280 3.019 -6.044 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.546 2.612 -1.425 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.793 2.345 0.017 1.00 0.00 C ATOM 1238 C ASP A 84 -6.552 2.424 0.968 1.00 0.00 C ATOM 1239 O ASP A 84 -5.526 3.020 0.699 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.541 0.944 0.004 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.892 -0.098 -0.893 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.650 0.168 -2.057 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.680 -1.140 -0.323 1.00 0.00 O ATOM 0 H ASP A 84 -6.832 2.026 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.387 3.140 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.582 0.557 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.570 1.097 -0.321 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.683 1.813 2.109 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.585 1.788 3.147 1.00 0.00 C ATOM 1250 C GLN A 85 -5.224 0.322 3.424 1.00 0.00 C ATOM 1251 O GLN A 85 -6.111 -0.491 3.289 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.138 2.467 4.385 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.067 2.509 5.511 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.532 3.387 6.669 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.769 3.725 7.540 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.756 3.798 6.757 1.00 0.00 N ATOM 0 H GLN A 85 -7.527 1.311 2.385 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.683 2.305 2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.455 3.481 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.021 1.933 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.871 1.499 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.128 2.893 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.435 3.536 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.042 4.384 7.541 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.018 -0.017 3.796 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.765 -1.474 4.042 1.00 0.00 C ATOM 1267 C CYS A 86 -3.903 -1.700 5.563 1.00 0.00 C ATOM 1268 O CYS A 86 -4.206 -0.757 6.268 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.351 -1.828 3.502 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.942 -1.888 4.628 1.00 0.00 S ATOM 0 H CYS A 86 -3.229 0.614 3.936 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.473 -2.124 3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.423 -2.804 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.112 -1.105 2.722 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.683 -2.892 6.055 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.844 -3.096 7.541 1.00 0.00 C ATOM 1277 C ALA A 87 -2.579 -2.940 8.408 1.00 0.00 C ATOM 1278 O ALA A 87 -2.519 -2.125 9.306 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.473 -4.515 7.713 1.00 0.00 C ATOM 0 H ALA A 87 -3.407 -3.715 5.519 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.474 -2.289 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.615 -4.724 8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.436 -4.550 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.807 -5.263 7.282 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.606 -3.734 8.096 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.280 -3.759 8.812 1.00 0.00 C ATOM 1287 C ASN A 88 0.815 -3.180 7.892 1.00 0.00 C ATOM 1288 O ASN A 88 0.463 -2.596 6.892 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.079 -5.241 9.174 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.409 -6.107 7.950 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.926 -7.190 8.083 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.159 -5.730 6.731 1.00 0.00 N ATOM 0 H ASN A 88 -1.666 -4.409 7.334 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.238 -3.145 9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.949 -5.414 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.721 -5.514 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.399 -6.340 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.277 -4.825 6.556 1.00 0.00 H new ATOM 1299 N GLY A 89 2.084 -3.308 8.199 1.00 0.00 N ATOM 1300 CA GLY A 89 3.127 -2.730 7.254 1.00 0.00 C ATOM 1301 C GLY A 89 2.973 -3.361 5.857 1.00 0.00 C ATOM 1302 O GLY A 89 2.146 -4.241 5.699 1.00 0.00 O ATOM 0 H GLY A 89 2.448 -3.770 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.012 -1.648 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.128 -2.922 7.641 1.00 0.00 H new ATOM 1306 N GLY A 90 3.752 -2.953 4.878 1.00 0.00 N ATOM 1307 CA GLY A 90 3.563 -3.590 3.521 1.00 0.00 C ATOM 1308 C GLY A 90 3.578 -2.697 2.315 1.00 0.00 C ATOM 1309 O GLY A 90 4.377 -2.936 1.438 1.00 0.00 O ATOM 0 H GLY A 90 4.479 -2.241 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.345 -4.339 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.611 -4.121 3.531 1.00 0.00 H new ATOM 1313 N LEU A 91 2.679 -1.749 2.340 1.00 0.00 N ATOM 1314 CA LEU A 91 2.482 -0.694 1.254 1.00 0.00 C ATOM 1315 C LEU A 91 1.153 -0.386 0.613 1.00 0.00 C ATOM 1316 O LEU A 91 0.575 0.677 0.732 1.00 0.00 O ATOM 1317 CB LEU A 91 3.521 -0.947 0.072 1.00 0.00 C ATOM 1318 CG LEU A 91 3.615 0.158 -1.045 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.796 1.599 -0.481 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.919 -0.171 -1.816 1.00 0.00 C ATOM 0 H LEU A 91 2.023 -1.644 3.114 1.00 0.00 H new ATOM 0 HA LEU A 91 2.620 0.189 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.511 -1.070 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.266 -1.892 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 91 2.697 0.147 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.853 2.308 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.947 1.850 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.715 1.648 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.061 0.555 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.767 -0.128 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.847 -1.172 -2.242 1.00 0.00 H new ATOM 1332 N ASP A 92 0.762 -1.404 -0.032 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.526 -1.478 -0.843 1.00 0.00 C ATOM 1334 C ASP A 92 -1.487 -2.728 -0.918 1.00 0.00 C ATOM 1335 O ASP A 92 -1.378 -3.693 -0.193 1.00 0.00 O ATOM 1336 CB ASP A 92 -0.055 -1.102 -2.285 1.00 0.00 C ATOM 1337 CG ASP A 92 1.153 -2.006 -2.643 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.106 -3.176 -2.294 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.072 -1.475 -3.248 1.00 0.00 O ATOM 0 H ASP A 92 1.296 -2.273 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.210 -0.838 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.865 -1.246 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.228 -0.050 -2.332 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.458 -2.614 -1.812 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.488 -3.728 -2.111 1.00 0.00 C ATOM 1346 C LEU A 93 -3.173 -3.907 -3.605 1.00 0.00 C ATOM 1347 O LEU A 93 -3.853 -3.484 -4.518 1.00 0.00 O ATOM 1348 CB LEU A 93 -5.039 -3.291 -1.879 1.00 0.00 C ATOM 1349 CG LEU A 93 -6.038 -3.551 -3.052 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -7.445 -3.718 -2.484 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.075 -2.200 -3.852 1.00 0.00 C ATOM 0 H LEU A 93 -2.597 -1.774 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.406 -4.606 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.409 -3.815 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.059 -2.226 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.747 -4.424 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.147 -3.900 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.461 -4.563 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.733 -2.811 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.756 -2.296 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.419 -1.399 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.075 -1.966 -4.217 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.026 -4.494 -3.745 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.380 -4.822 -5.078 1.00 0.00 C ATOM 1365 C ASP A 94 -1.612 -6.154 -5.804 1.00 0.00 C ATOM 1366 O ASP A 94 -2.201 -7.045 -5.267 1.00 0.00 O ATOM 1367 CB ASP A 94 0.178 -4.636 -4.975 1.00 0.00 C ATOM 1368 CG ASP A 94 0.859 -4.133 -6.283 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.184 -3.635 -7.184 1.00 0.00 O ATOM 1370 OD2 ASP A 94 2.067 -4.264 -6.353 1.00 0.00 O ATOM 0 H ASP A 94 -1.461 -4.785 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.928 -4.116 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.394 -3.930 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.626 -5.588 -4.690 1.00 0.00 H new ATOM 1375 N TRP A 95 -1.093 -6.219 -7.004 1.00 0.00 N ATOM 1376 CA TRP A 95 -1.109 -7.432 -7.920 1.00 0.00 C ATOM 1377 C TRP A 95 0.434 -7.410 -8.080 1.00 0.00 C ATOM 1378 O TRP A 95 1.035 -7.632 -9.114 1.00 0.00 O ATOM 1379 CB TRP A 95 -1.847 -7.194 -9.342 1.00 0.00 C ATOM 1380 CG TRP A 95 -1.116 -8.053 -10.411 1.00 0.00 C ATOM 1381 CD1 TRP A 95 -0.681 -7.576 -11.613 1.00 0.00 C ATOM 1382 CD2 TRP A 95 -0.734 -9.359 -10.285 1.00 0.00 C ATOM 1383 NE1 TRP A 95 -0.057 -8.614 -12.133 1.00 0.00 N ATOM 1384 CE2 TRP A 95 -0.034 -9.717 -11.415 1.00 0.00 C ATOM 1385 CE3 TRP A 95 -0.894 -10.315 -9.290 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 0.503 -10.967 -11.575 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 -0.356 -11.583 -9.436 1.00 0.00 C ATOM 1388 CH2 TRP A 95 0.345 -11.901 -10.583 1.00 0.00 C ATOM 0 H TRP A 95 -0.619 -5.421 -7.427 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.622 -8.327 -7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.898 -7.477 -9.278 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.817 -6.139 -9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.815 -6.591 -12.034 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.388 -8.565 -13.050 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.443 -10.067 -8.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.046 -11.215 -12.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.484 -12.320 -8.657 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.770 -12.887 -10.699 1.00 0.00 H new ATOM 1399 N ASP A 96 1.100 -7.119 -6.987 1.00 0.00 N ATOM 1400 CA ASP A 96 2.573 -7.044 -6.981 1.00 0.00 C ATOM 1401 C ASP A 96 3.052 -6.053 -8.147 1.00 0.00 C ATOM 1402 O ASP A 96 4.237 -5.951 -8.378 1.00 0.00 O ATOM 1403 CB ASP A 96 2.984 -8.577 -7.089 1.00 0.00 C ATOM 1404 CG ASP A 96 2.406 -9.404 -5.923 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.217 -9.720 -5.981 1.00 0.00 O ATOM 1406 OD2 ASP A 96 3.227 -9.660 -5.049 1.00 0.00 O ATOM 0 H ASP A 96 0.663 -6.928 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 96 3.057 -6.610 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.628 -8.984 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.071 -8.663 -7.093 1.00 0.00 H new ATOM 1411 N THR A 97 2.129 -5.349 -8.822 1.00 0.00 N ATOM 1412 CA THR A 97 2.383 -4.360 -9.971 1.00 0.00 C ATOM 1413 C THR A 97 3.575 -3.475 -9.726 1.00 0.00 C ATOM 1414 O THR A 97 4.209 -2.977 -10.628 1.00 0.00 O ATOM 1415 CB THR A 97 1.084 -3.401 -10.312 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.847 -2.223 -9.581 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.229 -4.151 -10.126 1.00 0.00 C ATOM 0 H THR A 97 1.136 -5.430 -8.602 1.00 0.00 H new ATOM 0 HA THR A 97 2.579 -5.002 -10.830 1.00 0.00 H new ATOM 0 HB THR A 97 1.374 -3.120 -11.324 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.585 -2.453 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.063 -3.489 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.253 -5.013 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.312 -4.489 -9.093 1.00 0.00 H new ATOM 1425 N VAL A 98 3.824 -3.319 -8.473 1.00 0.00 N ATOM 1426 CA VAL A 98 4.964 -2.498 -8.016 1.00 0.00 C ATOM 1427 C VAL A 98 6.228 -3.384 -8.067 1.00 0.00 C ATOM 1428 O VAL A 98 7.163 -3.118 -8.789 1.00 0.00 O ATOM 1429 CB VAL A 98 4.618 -2.030 -6.588 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.746 -1.171 -6.007 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.323 -1.190 -6.604 1.00 0.00 C ATOM 0 H VAL A 98 3.273 -3.736 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 98 5.153 -1.621 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 98 4.483 -2.918 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.479 -0.853 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.666 -1.754 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.897 -0.294 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.088 -0.865 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.463 -0.317 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.502 -1.794 -6.991 1.00 0.00 H new ATOM 1441 N PHE A 99 6.204 -4.459 -7.323 1.00 0.00 N ATOM 1442 CA PHE A 99 7.360 -5.416 -7.244 1.00 0.00 C ATOM 1443 C PHE A 99 7.625 -6.294 -8.514 1.00 0.00 C ATOM 1444 O PHE A 99 8.761 -6.404 -8.928 1.00 0.00 O ATOM 1445 CB PHE A 99 7.072 -6.250 -5.982 1.00 0.00 C ATOM 1446 CG PHE A 99 8.220 -6.100 -4.965 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.453 -4.890 -4.320 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.027 -7.175 -4.674 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.480 -4.765 -3.398 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.044 -7.051 -3.758 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.275 -5.850 -3.118 1.00 0.00 C ATOM 0 H PHE A 99 5.406 -4.725 -6.746 1.00 0.00 H new ATOM 0 HA PHE A 99 8.297 -4.862 -7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.134 -5.927 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.951 -7.299 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.827 -4.038 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.861 -8.121 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.654 -3.821 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.670 -7.903 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.077 -5.764 -2.400 1.00 0.00 H new ATOM 1461 N THR A 100 6.621 -6.882 -9.125 1.00 0.00 N ATOM 1462 CA THR A 100 6.850 -7.739 -10.361 1.00 0.00 C ATOM 1463 C THR A 100 7.259 -6.811 -11.542 1.00 0.00 C ATOM 1464 O THR A 100 7.514 -7.259 -12.648 1.00 0.00 O ATOM 1465 CB THR A 100 5.518 -8.557 -10.828 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.184 -8.147 -12.150 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.184 -8.065 -10.228 1.00 0.00 C ATOM 0 H THR A 100 5.647 -6.812 -8.829 1.00 0.00 H new ATOM 0 HA THR A 100 7.624 -8.462 -10.105 1.00 0.00 H new ATOM 0 HB THR A 100 5.781 -9.588 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.385 -8.629 -12.450 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.367 -8.679 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.223 -8.142 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.018 -7.026 -10.512 1.00 0.00 H new ATOM 1475 N LYS A 101 7.297 -5.531 -11.256 1.00 0.00 N ATOM 1476 CA LYS A 101 7.666 -4.490 -12.260 1.00 0.00 C ATOM 1477 C LYS A 101 8.984 -3.750 -11.964 1.00 0.00 C ATOM 1478 O LYS A 101 9.824 -3.665 -12.834 1.00 0.00 O ATOM 1479 CB LYS A 101 6.505 -3.504 -12.324 1.00 0.00 C ATOM 1480 CG LYS A 101 5.265 -4.175 -12.942 1.00 0.00 C ATOM 1481 CD LYS A 101 5.473 -4.326 -14.463 1.00 0.00 C ATOM 1482 CE LYS A 101 4.210 -4.851 -15.120 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.080 -3.912 -14.824 1.00 0.00 N ATOM 0 H LYS A 101 7.079 -5.156 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 101 7.843 -4.988 -13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.270 -3.143 -11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.790 -2.635 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.101 -5.152 -12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.376 -3.577 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.743 -3.363 -14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.302 -5.007 -14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.354 -4.939 -16.197 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.978 -5.849 -14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.478 -3.817 -15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.515 -4.286 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.462 -2.980 -14.565 1.00 0.00 H new ATOM 1497 N ILE A 102 9.143 -3.233 -10.772 1.00 0.00 N ATOM 1498 CA ILE A 102 10.423 -2.516 -10.484 1.00 0.00 C ATOM 1499 C ILE A 102 11.572 -3.471 -10.062 1.00 0.00 C ATOM 1500 O ILE A 102 12.680 -2.987 -9.947 1.00 0.00 O ATOM 1501 CB ILE A 102 10.154 -1.429 -9.368 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.863 -2.067 -7.985 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.967 -0.531 -9.806 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.145 -2.056 -7.097 1.00 0.00 C ATOM 0 H ILE A 102 8.468 -3.272 -10.009 1.00 0.00 H new ATOM 0 HA ILE A 102 10.759 -2.039 -11.405 1.00 0.00 H new ATOM 0 HB ILE A 102 11.057 -0.829 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.063 -1.519 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.514 -3.091 -8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.777 0.221 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.212 -0.037 -10.746 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.076 -1.145 -9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.922 -2.508 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.934 -2.624 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.477 -1.028 -6.949 1.00 0.00 H new ATOM 1516 N ASP A 103 11.338 -4.750 -9.835 1.00 0.00 N ATOM 1517 CA ASP A 103 12.469 -5.668 -9.440 1.00 0.00 C ATOM 1518 C ASP A 103 12.942 -6.474 -10.686 1.00 0.00 C ATOM 1519 O ASP A 103 12.461 -7.547 -10.994 1.00 0.00 O ATOM 1520 CB ASP A 103 11.999 -6.673 -8.291 1.00 0.00 C ATOM 1521 CG ASP A 103 12.563 -6.302 -6.906 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.025 -5.323 -6.417 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.466 -6.998 -6.435 1.00 0.00 O ATOM 0 H ASP A 103 10.423 -5.195 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 103 13.294 -5.067 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.910 -6.681 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.314 -7.684 -8.548 1.00 0.00 H new ATOM 1528 N THR A 104 13.893 -5.909 -11.395 1.00 0.00 N ATOM 1529 CA THR A 104 14.472 -6.573 -12.637 1.00 0.00 C ATOM 1530 C THR A 104 14.766 -8.062 -12.402 1.00 0.00 C ATOM 1531 O THR A 104 14.804 -8.884 -13.295 1.00 0.00 O ATOM 1532 CB THR A 104 15.788 -5.860 -13.061 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.592 -5.753 -11.890 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.495 -4.402 -13.415 1.00 0.00 C ATOM 0 H THR A 104 14.306 -5.003 -11.172 1.00 0.00 H new ATOM 0 HA THR A 104 13.726 -6.488 -13.427 1.00 0.00 H new ATOM 0 HB THR A 104 16.241 -6.407 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.437 -5.309 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.420 -3.907 -13.711 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.783 -4.364 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.074 -3.895 -12.547 1.00 0.00 H new ATOM 1542 N ASN A 105 14.990 -8.310 -11.150 1.00 0.00 N ATOM 1543 CA ASN A 105 15.298 -9.658 -10.587 1.00 0.00 C ATOM 1544 C ASN A 105 14.258 -9.994 -9.469 1.00 0.00 C ATOM 1545 O ASN A 105 13.117 -10.302 -9.739 1.00 0.00 O ATOM 1546 CB ASN A 105 16.773 -9.527 -10.117 1.00 0.00 C ATOM 1547 CG ASN A 105 17.042 -8.191 -9.395 1.00 0.00 C ATOM 1548 OD1 ASN A 105 18.155 -7.721 -9.373 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.098 -7.529 -8.789 1.00 0.00 N ATOM 0 H ASN A 105 14.971 -7.579 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 105 15.214 -10.494 -11.281 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.013 -10.353 -9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.435 -9.611 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.313 -6.649 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.144 -7.891 -8.784 1.00 0.00 H new ATOM 1556 N GLY A 106 14.694 -9.928 -8.241 1.00 0.00 N ATOM 1557 CA GLY A 106 13.784 -10.216 -7.066 1.00 0.00 C ATOM 1558 C GLY A 106 14.511 -10.071 -5.729 1.00 0.00 C ATOM 1559 O GLY A 106 14.142 -10.649 -4.720 1.00 0.00 O ATOM 0 H GLY A 106 15.651 -9.685 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.933 -9.536 -7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.387 -11.227 -7.155 1.00 0.00 H new ATOM 1563 N ILE A 107 15.550 -9.271 -5.761 1.00 0.00 N ATOM 1564 CA ILE A 107 16.370 -9.018 -4.549 1.00 0.00 C ATOM 1565 C ILE A 107 15.415 -8.687 -3.397 1.00 0.00 C ATOM 1566 O ILE A 107 15.481 -9.282 -2.335 1.00 0.00 O ATOM 1567 CB ILE A 107 17.337 -7.824 -4.788 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.210 -7.999 -6.074 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.275 -7.696 -3.560 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.986 -9.346 -6.104 1.00 0.00 C ATOM 0 H ILE A 107 15.865 -8.776 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 107 16.969 -9.898 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 107 16.730 -6.929 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.569 -7.936 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.921 -7.175 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.961 -6.862 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.680 -7.518 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.845 -8.617 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.573 -9.408 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.652 -9.402 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.278 -10.174 -6.070 1.00 0.00 H new ATOM 1582 N GLY A 108 14.534 -7.738 -3.650 1.00 0.00 N ATOM 1583 CA GLY A 108 13.545 -7.325 -2.596 1.00 0.00 C ATOM 1584 C GLY A 108 12.990 -8.562 -1.890 1.00 0.00 C ATOM 1585 O GLY A 108 13.100 -8.721 -0.692 1.00 0.00 O ATOM 0 H GLY A 108 14.459 -7.236 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.026 -6.667 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.732 -6.759 -3.050 1.00 0.00 H new ATOM 1589 N TYR A 109 12.426 -9.430 -2.688 1.00 0.00 N ATOM 1590 CA TYR A 109 11.830 -10.698 -2.152 1.00 0.00 C ATOM 1591 C TYR A 109 12.877 -11.388 -1.263 1.00 0.00 C ATOM 1592 O TYR A 109 12.605 -11.690 -0.116 1.00 0.00 O ATOM 1593 CB TYR A 109 11.430 -11.595 -3.353 1.00 0.00 C ATOM 1594 CG TYR A 109 10.872 -12.954 -2.896 1.00 0.00 C ATOM 1595 CD1 TYR A 109 9.539 -13.102 -2.557 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.704 -14.056 -2.819 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.053 -14.332 -2.152 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.210 -15.278 -2.413 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.890 -15.422 -2.081 1.00 0.00 C ATOM 1600 OH TYR A 109 9.436 -16.661 -1.689 1.00 0.00 O ATOM 0 H TYR A 109 12.350 -9.317 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 109 10.941 -10.501 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.682 -11.081 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.299 -11.756 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.874 -12.252 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.748 -13.959 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.011 -14.438 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.871 -16.130 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 109 10.178 -17.301 -1.704 1.00 0.00 H new ATOM 1610 N GLN A 110 14.031 -11.588 -1.856 1.00 0.00 N ATOM 1611 CA GLN A 110 15.208 -12.248 -1.187 1.00 0.00 C ATOM 1612 C GLN A 110 15.336 -11.890 0.304 1.00 0.00 C ATOM 1613 O GLN A 110 15.558 -12.755 1.129 1.00 0.00 O ATOM 1614 CB GLN A 110 16.536 -11.827 -1.908 1.00 0.00 C ATOM 1615 CG GLN A 110 17.456 -13.049 -2.209 1.00 0.00 C ATOM 1616 CD GLN A 110 16.918 -13.907 -3.358 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.472 -14.922 -3.716 1.00 0.00 O ATOM 1618 NE2 GLN A 110 15.843 -13.562 -3.988 1.00 0.00 N ATOM 0 H GLN A 110 14.215 -11.309 -2.820 1.00 0.00 H new ATOM 0 HA GLN A 110 15.038 -13.322 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.295 -11.317 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.075 -11.113 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.457 -12.696 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.549 -13.662 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.344 -12.714 -3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.494 -14.138 -4.754 1.00 0.00 H new ATOM 1627 N GLN A 111 15.195 -10.616 0.570 1.00 0.00 N ATOM 1628 CA GLN A 111 15.308 -10.137 1.989 1.00 0.00 C ATOM 1629 C GLN A 111 13.982 -9.757 2.709 1.00 0.00 C ATOM 1630 O GLN A 111 13.924 -9.871 3.921 1.00 0.00 O ATOM 1631 CB GLN A 111 16.312 -8.962 1.924 1.00 0.00 C ATOM 1632 CG GLN A 111 16.807 -8.636 3.376 1.00 0.00 C ATOM 1633 CD GLN A 111 17.511 -7.285 3.484 1.00 0.00 C ATOM 1634 OE1 GLN A 111 17.887 -6.848 4.544 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.732 -6.554 2.444 1.00 0.00 N ATOM 0 H GLN A 111 15.009 -9.891 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 111 15.643 -10.961 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.157 -9.223 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.839 -8.086 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.954 -8.649 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.488 -9.421 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.435 -6.875 1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.204 -5.655 2.543 1.00 0.00 H new ATOM 1644 N GLY A 112 12.968 -9.317 2.001 1.00 0.00 N ATOM 1645 CA GLY A 112 11.662 -8.945 2.683 1.00 0.00 C ATOM 1646 C GLY A 112 11.145 -7.547 2.357 1.00 0.00 C ATOM 1647 O GLY A 112 9.957 -7.327 2.240 1.00 0.00 O ATOM 0 H GLY A 112 12.976 -9.196 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.901 -9.673 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.796 -9.025 3.762 1.00 0.00 H new ATOM 1651 N HIS A 113 12.060 -6.630 2.247 1.00 0.00 N ATOM 1652 CA HIS A 113 11.711 -5.202 1.921 1.00 0.00 C ATOM 1653 C HIS A 113 12.727 -4.539 0.954 1.00 0.00 C ATOM 1654 O HIS A 113 13.827 -5.035 0.781 1.00 0.00 O ATOM 1655 CB HIS A 113 11.646 -4.419 3.248 1.00 0.00 C ATOM 1656 CG HIS A 113 12.960 -4.535 4.023 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.106 -4.800 3.495 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.235 -4.388 5.372 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.019 -4.820 4.415 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.521 -4.568 5.597 1.00 0.00 N ATOM 0 H HIS A 113 13.058 -6.803 2.370 1.00 0.00 H new ATOM 0 HA HIS A 113 10.751 -5.187 1.405 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.432 -3.370 3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.826 -4.799 3.858 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.270 -4.969 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 113 12.501 -4.159 6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.064 -5.020 4.228 1.00 0.00 H new ATOM 1668 N LEU A 114 12.338 -3.435 0.379 1.00 0.00 N ATOM 1669 CA LEU A 114 13.210 -2.677 -0.591 1.00 0.00 C ATOM 1670 C LEU A 114 13.131 -1.157 -0.301 1.00 0.00 C ATOM 1671 O LEU A 114 12.168 -0.683 0.265 1.00 0.00 O ATOM 1672 CB LEU A 114 12.718 -3.001 -2.033 1.00 0.00 C ATOM 1673 CG LEU A 114 13.507 -2.230 -3.132 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.006 -2.597 -3.126 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.940 -2.680 -4.467 1.00 0.00 C ATOM 0 H LEU A 114 11.426 -3.007 0.540 1.00 0.00 H new ATOM 0 HA LEU A 114 14.253 -2.976 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.811 -4.072 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.659 -2.755 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 114 13.412 -1.159 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.521 -2.038 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.438 -2.348 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.120 -3.665 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.461 -2.167 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.074 -3.756 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.878 -2.440 -4.510 1.00 0.00 H new ATOM 1687 N ASN A 115 14.124 -0.408 -0.688 1.00 0.00 N ATOM 1688 CA ASN A 115 14.092 1.069 -0.432 1.00 0.00 C ATOM 1689 C ASN A 115 13.742 1.749 -1.766 1.00 0.00 C ATOM 1690 O ASN A 115 14.297 1.423 -2.799 1.00 0.00 O ATOM 1691 CB ASN A 115 15.474 1.478 0.084 1.00 0.00 C ATOM 1692 CG ASN A 115 15.461 2.953 0.434 1.00 0.00 C ATOM 1693 OD1 ASN A 115 16.267 3.722 -0.024 1.00 0.00 O ATOM 1694 ND2 ASN A 115 14.578 3.424 1.240 1.00 0.00 N ATOM 0 H ASN A 115 14.957 -0.748 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 115 13.352 1.362 0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.737 0.887 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.232 1.279 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.577 4.417 1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.878 2.804 1.649 1.00 0.00 H new ATOM 1701 N VAL A 116 12.823 2.668 -1.701 1.00 0.00 N ATOM 1702 CA VAL A 116 12.389 3.392 -2.950 1.00 0.00 C ATOM 1703 C VAL A 116 11.871 4.815 -2.611 1.00 0.00 C ATOM 1704 O VAL A 116 11.910 5.260 -1.478 1.00 0.00 O ATOM 1705 CB VAL A 116 11.246 2.560 -3.649 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.553 1.040 -3.713 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.920 2.701 -2.898 1.00 0.00 C ATOM 0 H VAL A 116 12.348 2.956 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 116 13.243 3.493 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 116 11.183 2.967 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.729 0.523 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.472 0.878 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.674 0.650 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.152 2.116 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.040 2.338 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.623 3.750 -2.877 1.00 0.00 H new ATOM 1717 N ASN A 117 11.398 5.473 -3.637 1.00 0.00 N ATOM 1718 CA ASN A 117 10.835 6.865 -3.486 1.00 0.00 C ATOM 1719 C ASN A 117 9.374 6.833 -4.000 1.00 0.00 C ATOM 1720 O ASN A 117 9.106 6.128 -4.964 1.00 0.00 O ATOM 1721 CB ASN A 117 11.693 7.834 -4.328 1.00 0.00 C ATOM 1722 CG ASN A 117 13.121 7.407 -4.115 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.658 7.552 -3.052 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.791 6.857 -5.074 1.00 0.00 N ATOM 0 H ASN A 117 11.374 5.107 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 117 10.850 7.200 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.422 7.781 -5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.542 8.866 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.753 6.558 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.357 6.722 -5.987 1.00 0.00 H new ATOM 1731 N TYR A 118 8.507 7.583 -3.350 1.00 0.00 N ATOM 1732 CA TYR A 118 7.076 7.613 -3.783 1.00 0.00 C ATOM 1733 C TYR A 118 6.482 9.030 -3.657 1.00 0.00 C ATOM 1734 O TYR A 118 6.590 9.703 -2.644 1.00 0.00 O ATOM 1735 CB TYR A 118 6.281 6.562 -2.924 1.00 0.00 C ATOM 1736 CG TYR A 118 6.082 6.884 -1.426 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.308 7.946 -0.985 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.693 6.085 -0.484 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.156 8.196 0.368 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.542 6.341 0.866 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.774 7.394 1.298 1.00 0.00 C ATOM 1742 OH TYR A 118 5.611 7.658 2.641 1.00 0.00 O ATOM 0 H TYR A 118 8.731 8.169 -2.546 1.00 0.00 H new ATOM 0 HA TYR A 118 7.000 7.348 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.298 6.431 -3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.797 5.605 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.818 8.585 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.297 5.249 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.548 9.026 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.033 5.706 1.588 1.00 0.00 H new ATOM 0 HH TYR A 118 4.995 8.412 2.754 1.00 0.00 H new ATOM 1752 N GLN A 119 5.875 9.480 -4.716 1.00 0.00 N ATOM 1753 CA GLN A 119 5.258 10.863 -4.690 1.00 0.00 C ATOM 1754 C GLN A 119 3.765 10.835 -5.135 1.00 0.00 C ATOM 1755 O GLN A 119 3.443 10.148 -6.093 1.00 0.00 O ATOM 1756 CB GLN A 119 6.057 11.809 -5.661 1.00 0.00 C ATOM 1757 CG GLN A 119 7.640 11.661 -5.645 1.00 0.00 C ATOM 1758 CD GLN A 119 8.437 12.262 -4.492 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.151 13.225 -4.655 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.396 11.758 -3.308 1.00 0.00 N ATOM 0 H GLN A 119 5.772 8.970 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 119 5.306 11.231 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.707 11.630 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.807 12.841 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.869 10.596 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.019 12.100 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.809 10.945 -3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 119 8.951 12.171 -2.558 1.00 0.00 H new ATOM 1769 N PHE A 120 2.890 11.551 -4.456 1.00 0.00 N ATOM 1770 CA PHE A 120 1.453 11.530 -4.906 1.00 0.00 C ATOM 1771 C PHE A 120 1.473 12.229 -6.291 1.00 0.00 C ATOM 1772 O PHE A 120 1.926 13.342 -6.477 1.00 0.00 O ATOM 1773 CB PHE A 120 0.543 12.301 -3.904 1.00 0.00 C ATOM 1774 CG PHE A 120 0.270 11.468 -2.626 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.288 10.902 -1.879 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.036 11.279 -2.201 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.013 10.171 -0.743 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.315 10.545 -1.059 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.288 9.992 -0.330 1.00 0.00 C ATOM 0 H PHE A 120 3.096 12.128 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 120 1.049 10.519 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.018 13.243 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.402 12.549 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.313 11.035 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.848 11.710 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.822 9.737 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.338 10.407 -0.742 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.501 9.421 0.561 1.00 0.00 H new ATOM 1789 N VAL A 121 0.945 11.475 -7.211 1.00 0.00 N ATOM 1790 CA VAL A 121 0.825 11.845 -8.670 1.00 0.00 C ATOM 1791 C VAL A 121 -0.564 11.527 -9.365 1.00 0.00 C ATOM 1792 O VAL A 121 -1.397 10.850 -8.790 1.00 0.00 O ATOM 1793 CB VAL A 121 2.048 11.073 -9.272 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.661 10.179 -10.438 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.211 11.992 -9.660 1.00 0.00 C ATOM 0 H VAL A 121 0.563 10.552 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 121 0.843 12.922 -8.835 1.00 0.00 H new ATOM 0 HB VAL A 121 2.399 10.432 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.547 9.669 -10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.932 9.441 -10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.225 10.785 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.025 11.395 -10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.874 12.709 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.562 12.527 -8.778 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.785 12.033 -10.563 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.086 11.748 -11.301 1.00 0.00 C ATOM 1807 C ASP A 122 -1.824 10.447 -12.125 1.00 0.00 C ATOM 1808 O ASP A 122 -0.679 10.119 -12.390 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.467 12.981 -12.255 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.659 12.696 -13.210 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.489 11.888 -12.827 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.685 13.308 -14.272 1.00 0.00 O ATOM 0 H ASP A 122 -0.129 12.630 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.926 11.617 -10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.709 13.845 -11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.594 13.250 -12.850 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.846 9.743 -12.526 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.599 8.497 -13.310 1.00 0.00 C ATOM 1819 C CYS A 123 -2.541 8.715 -14.816 1.00 0.00 C ATOM 1820 O CYS A 123 -1.696 8.188 -15.512 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.698 7.493 -13.009 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.273 7.288 -11.307 1.00 0.00 S ATOM 0 H CYS A 123 -3.825 9.969 -12.350 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.619 8.132 -13.004 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.562 7.763 -13.616 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.355 6.519 -13.358 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.480 9.524 -15.216 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.696 9.920 -16.645 1.00 0.00 C ATOM 1829 C ARG A 124 -3.311 8.794 -17.653 1.00 0.00 C ATOM 1830 O ARG A 124 -2.479 8.957 -18.525 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.889 11.251 -16.784 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.141 11.981 -18.130 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.790 13.494 -17.988 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.915 14.176 -17.242 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.607 15.124 -17.771 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.997 15.005 -18.983 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.859 16.133 -17.040 1.00 0.00 N ATOM 0 H ARG A 124 -4.147 9.953 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.745 10.076 -16.897 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.154 11.916 -15.962 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.825 11.035 -16.689 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -2.536 11.531 -18.917 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.184 11.867 -18.426 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.849 13.617 -17.451 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.657 13.947 -18.971 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.132 13.876 -16.292 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.759 14.168 -19.515 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.546 15.747 -19.417 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.516 16.165 -16.080 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.404 16.910 -17.414 1.00 0.00 H new ATOM 1851 N ASP A 125 -3.984 7.680 -17.428 1.00 0.00 N ATOM 1852 CA ASP A 125 -3.839 6.414 -18.241 1.00 0.00 C ATOM 1853 C ASP A 125 -4.113 6.734 -19.742 1.00 0.00 C ATOM 1854 O ASP A 125 -4.985 7.557 -20.004 1.00 0.00 O ATOM 1855 CB ASP A 125 -4.877 5.349 -17.662 1.00 0.00 C ATOM 1856 CG ASP A 125 -4.605 3.903 -18.128 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -3.553 3.374 -17.802 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -5.475 3.354 -18.786 1.00 0.00 O ATOM 1859 OXT ASP A 125 -3.437 6.136 -20.564 1.00 0.00 O ATOM 0 H ASP A 125 -4.664 7.594 -16.673 1.00 0.00 H new ATOM 0 HA ASP A 125 -2.831 6.004 -18.173 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -4.849 5.382 -16.573 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -5.885 5.635 -17.964 1.00 0.00 H new