USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 975 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 83 GLN : amide:sc= -0.247 K(o=-0.5,f=-1.9) USER MOD Set 1.2: A 85 ASN : amide:sc= -0.249 K(o=-0.5,f=-5.7!) USER MOD Set 2.1: A 77 LYS NZ :NH3+ 125:sc= 1.2 (180deg=-0.18) USER MOD Set 2.2: A 81 TYR OH : rot 70:sc= 1.1 USER MOD Set 3.1: A 4 GLN : amide:sc= 0 X(o=0.056,f=0.082) USER MOD Set 3.2: A 26 SER OG : rot -44:sc= 0.0562 USER MOD Set 4.1: A 23 CYS SG : rot -161:sc= -3.77! USER MOD Set 4.2: A 97 CYS SG : rot 27:sc= 0.672 USER MOD Set 5.1: A 14 GLN : amide:sc= 0.417 K(o=0.48,f=-3.4!) USER MOD Set 5.2: A 127 HIS : no HE2:sc= 0.0661 K(o=0.48,f=-3.6) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.169 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0641 (180deg=-0.19) USER MOD Single : A 2 GLN : amide:sc= -0.521 K(o=-0.52,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -97:sc= 0.434 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -77:sc= 1.18 USER MOD Single : A 33 ASN : amide:sc= -0.698 K(o=-0.7,f=-4.9!) USER MOD Single : A 35 MET CE :methyl -140:sc= -0.719 (180deg=-2.25) USER MOD Single : A 40 GLN : amide:sc= -0.639 K(o=-0.64,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.269 (180deg=0.216) USER MOD Single : A 55 SER OG : rot -110:sc= -0.422 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00588 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 0.791 (180deg=0.000358) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.686 K(o=0.69,f=-2.4) USER MOD Single : A 78 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.5) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00809 USER MOD Single : A 84 MET CE :methyl -134:sc= -0.259 (180deg=-3.27!) USER MOD Single : A 86 SER OG : rot -50:sc= 0.295 USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= 0.782 (180deg=0.404) USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.412 USER MOD Single : A 95 TYR OH : rot -165:sc= 0.422 USER MOD Single : A 104 SER OG : rot 180:sc= 0.148 USER MOD Single : A 105 SER OG : rot 180:sc= -0.515 USER MOD Single : A 109 THR OG1 : rot 38:sc= 0.12 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.119 K(o=0.12,f=-5.5!) USER MOD Single : A 117 THR OG1 : rot 170:sc= -0.135 USER MOD Single : A 118 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 150:sc= -0.76 USER MOD Single : A 123 SER OG : rot 56:sc= 0.00677 USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=-0.062) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.942 0.219 -0.531 1.00 0.00 N ATOM 2 CA MET A 1 -0.732 0.799 -1.166 1.00 0.00 C ATOM 3 C MET A 1 -1.043 2.194 -1.718 1.00 0.00 C ATOM 4 O MET A 1 -2.212 2.583 -1.827 1.00 0.00 O ATOM 5 CB MET A 1 -0.217 -0.127 -2.303 1.00 0.00 C ATOM 6 CG MET A 1 0.145 -1.554 -1.856 1.00 0.00 C ATOM 7 SD MET A 1 0.654 -2.619 -3.228 1.00 0.00 S ATOM 8 CE MET A 1 -0.797 -2.606 -4.284 1.00 0.00 C ATOM 0 H1 MET A 1 -1.698 -0.148 0.411 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.671 0.955 -0.437 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.306 -0.556 -1.121 1.00 0.00 H new ATOM 0 HA MET A 1 0.049 0.885 -0.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.981 -0.187 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.662 0.331 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.950 -1.506 -1.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.714 -2.001 -1.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.952 -3.601 -4.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.670 -2.317 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.651 -1.892 -5.094 1.00 0.00 H new ATOM 20 N GLN A 2 0.019 2.951 -2.052 1.00 0.00 N ATOM 21 CA GLN A 2 -0.090 4.279 -2.679 1.00 0.00 C ATOM 22 C GLN A 2 0.906 4.344 -3.843 1.00 0.00 C ATOM 23 O GLN A 2 2.122 4.293 -3.612 1.00 0.00 O ATOM 24 CB GLN A 2 0.213 5.418 -1.660 1.00 0.00 C ATOM 25 CG GLN A 2 -0.714 5.455 -0.422 1.00 0.00 C ATOM 26 CD GLN A 2 -0.380 6.564 0.584 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.269 7.100 1.247 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.899 6.887 0.743 1.00 0.00 N ATOM 0 H GLN A 2 0.982 2.655 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.110 4.422 -3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.244 5.315 -1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.142 6.375 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.743 5.583 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.661 4.492 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.615 6.427 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.165 7.595 1.428 1.00 0.00 H new ATOM 37 N LEU A 3 0.399 4.409 -5.088 1.00 0.00 N ATOM 38 CA LEU A 3 1.255 4.555 -6.279 1.00 0.00 C ATOM 39 C LEU A 3 1.638 6.043 -6.394 1.00 0.00 C ATOM 40 O LEU A 3 0.777 6.898 -6.621 1.00 0.00 O ATOM 41 CB LEU A 3 0.524 4.029 -7.564 1.00 0.00 C ATOM 42 CG LEU A 3 1.422 3.554 -8.766 1.00 0.00 C ATOM 43 CD1 LEU A 3 2.289 4.684 -9.349 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.288 2.339 -8.370 1.00 0.00 C ATOM 0 H LEU A 3 -0.599 4.363 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 3 2.159 3.953 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.114 3.196 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.132 4.821 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 3 0.739 3.247 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.886 4.296 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.646 5.486 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.950 5.072 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.897 2.034 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.937 2.611 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.642 1.513 -8.072 1.00 0.00 H new ATOM 56 N GLN A 4 2.930 6.336 -6.195 1.00 0.00 N ATOM 57 CA GLN A 4 3.457 7.711 -6.196 1.00 0.00 C ATOM 58 C GLN A 4 4.198 7.978 -7.518 1.00 0.00 C ATOM 59 O GLN A 4 5.126 7.245 -7.870 1.00 0.00 O ATOM 60 CB GLN A 4 4.413 7.913 -4.984 1.00 0.00 C ATOM 61 CG GLN A 4 3.831 7.464 -3.630 1.00 0.00 C ATOM 62 CD GLN A 4 4.776 7.718 -2.453 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.605 6.877 -2.125 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.661 8.878 -1.817 1.00 0.00 N ATOM 0 H GLN A 4 3.643 5.626 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 4 2.631 8.417 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.335 7.363 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.679 8.968 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.892 7.989 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.598 6.400 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.960 9.556 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.274 9.091 -1.030 1.00 0.00 H new ATOM 73 N LEU A 5 3.747 9.001 -8.260 1.00 0.00 N ATOM 74 CA LEU A 5 4.422 9.492 -9.476 1.00 0.00 C ATOM 75 C LEU A 5 4.800 10.968 -9.259 1.00 0.00 C ATOM 76 O LEU A 5 3.925 11.845 -9.238 1.00 0.00 O ATOM 77 CB LEU A 5 3.497 9.329 -10.719 1.00 0.00 C ATOM 78 CG LEU A 5 3.159 7.862 -11.141 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.144 7.830 -12.303 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.442 7.069 -11.496 1.00 0.00 C ATOM 0 H LEU A 5 2.897 9.516 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 5 5.323 8.909 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.562 9.852 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.969 9.829 -11.565 1.00 0.00 H new ATOM 0 HG LEU A 5 2.694 7.374 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.931 6.795 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.222 8.322 -11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.561 8.350 -13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.173 6.053 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.955 7.558 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.102 7.037 -10.629 1.00 0.00 H new ATOM 92 N VAL A 6 6.106 11.221 -9.068 1.00 0.00 N ATOM 93 CA VAL A 6 6.646 12.572 -8.834 1.00 0.00 C ATOM 94 C VAL A 6 7.222 13.100 -10.155 1.00 0.00 C ATOM 95 O VAL A 6 8.324 12.719 -10.564 1.00 0.00 O ATOM 96 CB VAL A 6 7.762 12.556 -7.716 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.364 13.972 -7.489 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.206 11.957 -6.396 1.00 0.00 C ATOM 0 H VAL A 6 6.819 10.492 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 6 5.846 13.224 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 6 8.573 11.916 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.128 13.922 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.811 14.330 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.575 14.657 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.990 11.955 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.367 12.560 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.870 10.935 -6.573 1.00 0.00 H new ATOM 108 N GLU A 7 6.466 13.985 -10.805 1.00 0.00 N ATOM 109 CA GLU A 7 6.803 14.502 -12.133 1.00 0.00 C ATOM 110 C GLU A 7 7.561 15.823 -12.015 1.00 0.00 C ATOM 111 O GLU A 7 7.303 16.622 -11.106 1.00 0.00 O ATOM 112 CB GLU A 7 5.523 14.662 -12.965 1.00 0.00 C ATOM 113 CG GLU A 7 4.730 13.351 -13.112 1.00 0.00 C ATOM 114 CD GLU A 7 3.442 13.522 -13.906 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.525 13.978 -15.061 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.345 13.185 -13.394 1.00 0.00 O ATOM 0 H GLU A 7 5.599 14.365 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 7 7.456 13.793 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.886 15.414 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.785 15.034 -13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.357 12.606 -13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.491 12.964 -12.121 1.00 0.00 H new ATOM 123 N SER A 8 8.480 16.042 -12.959 1.00 0.00 N ATOM 124 CA SER A 8 9.427 17.160 -12.942 1.00 0.00 C ATOM 125 C SER A 8 9.959 17.414 -14.364 1.00 0.00 C ATOM 126 O SER A 8 9.601 16.701 -15.314 1.00 0.00 O ATOM 127 CB SER A 8 10.585 16.846 -11.959 1.00 0.00 C ATOM 128 OG SER A 8 11.197 15.603 -12.271 1.00 0.00 O ATOM 0 H SER A 8 8.589 15.436 -13.772 1.00 0.00 H new ATOM 0 HA SER A 8 8.923 18.064 -12.601 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.328 17.642 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.203 16.821 -10.938 1.00 0.00 H new ATOM 0 HG SER A 8 11.925 15.429 -11.638 1.00 0.00 H new ATOM 134 N GLY A 9 10.807 18.449 -14.501 1.00 0.00 N ATOM 135 CA GLY A 9 11.373 18.835 -15.796 1.00 0.00 C ATOM 136 C GLY A 9 10.464 19.776 -16.584 1.00 0.00 C ATOM 137 O GLY A 9 10.815 20.182 -17.691 1.00 0.00 O ATOM 0 H GLY A 9 11.114 19.033 -13.723 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.337 19.318 -15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.560 17.938 -16.387 1.00 0.00 H new ATOM 141 N GLY A 10 9.291 20.117 -16.010 1.00 0.00 N ATOM 142 CA GLY A 10 8.324 21.010 -16.657 1.00 0.00 C ATOM 143 C GLY A 10 8.754 22.469 -16.605 1.00 0.00 C ATOM 144 O GLY A 10 9.332 22.912 -15.603 1.00 0.00 O ATOM 0 H GLY A 10 8.995 19.781 -15.093 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.195 20.709 -17.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.354 20.903 -16.172 1.00 0.00 H new ATOM 148 N GLY A 11 8.474 23.210 -17.689 1.00 0.00 N ATOM 149 CA GLY A 11 8.840 24.619 -17.785 1.00 0.00 C ATOM 150 C GLY A 11 8.406 25.228 -19.101 1.00 0.00 C ATOM 151 O GLY A 11 7.636 24.614 -19.859 1.00 0.00 O ATOM 0 H GLY A 11 7.992 22.848 -18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.383 25.169 -16.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.920 24.722 -17.676 1.00 0.00 H new ATOM 155 N LEU A 12 8.902 26.443 -19.373 1.00 0.00 N ATOM 156 CA LEU A 12 8.585 27.188 -20.596 1.00 0.00 C ATOM 157 C LEU A 12 9.731 27.032 -21.607 1.00 0.00 C ATOM 158 O LEU A 12 10.893 27.209 -21.255 1.00 0.00 O ATOM 159 CB LEU A 12 8.294 28.684 -20.255 1.00 0.00 C ATOM 160 CG LEU A 12 7.822 29.622 -21.436 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.763 30.646 -20.968 1.00 0.00 C ATOM 162 CD2 LEU A 12 9.015 30.360 -22.089 1.00 0.00 C ATOM 0 H LEU A 12 9.537 26.938 -18.747 1.00 0.00 H new ATOM 0 HA LEU A 12 7.683 26.783 -21.054 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.529 28.710 -19.479 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.199 29.113 -19.825 1.00 0.00 H new ATOM 0 HG LEU A 12 7.365 28.973 -22.183 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.465 31.272 -21.809 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.891 30.117 -20.582 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.185 31.272 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.652 30.995 -22.897 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.516 30.975 -21.341 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.719 29.631 -22.490 1.00 0.00 H new ATOM 174 N VAL A 13 9.389 26.675 -22.855 1.00 0.00 N ATOM 175 CA VAL A 13 10.360 26.535 -23.967 1.00 0.00 C ATOM 176 C VAL A 13 9.807 27.236 -25.212 1.00 0.00 C ATOM 177 O VAL A 13 8.593 27.337 -25.377 1.00 0.00 O ATOM 178 CB VAL A 13 10.692 25.023 -24.304 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.439 24.334 -23.134 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.418 24.228 -24.693 1.00 0.00 C ATOM 0 H VAL A 13 8.427 26.473 -23.129 1.00 0.00 H new ATOM 0 HA VAL A 13 11.293 27.001 -23.648 1.00 0.00 H new ATOM 0 HB VAL A 13 11.355 25.026 -25.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.652 23.298 -23.398 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.375 24.859 -22.941 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.817 24.360 -22.239 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.687 23.196 -24.917 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.710 24.247 -23.864 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.960 24.682 -25.572 1.00 0.00 H new ATOM 190 N GLN A 14 10.705 27.754 -26.060 1.00 0.00 N ATOM 191 CA GLN A 14 10.330 28.345 -27.361 1.00 0.00 C ATOM 192 C GLN A 14 9.861 27.243 -28.342 1.00 0.00 C ATOM 193 O GLN A 14 10.335 26.095 -28.274 1.00 0.00 O ATOM 194 CB GLN A 14 11.505 29.193 -27.962 1.00 0.00 C ATOM 195 CG GLN A 14 12.670 28.411 -28.635 1.00 0.00 C ATOM 196 CD GLN A 14 13.438 27.447 -27.724 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.534 27.648 -26.519 1.00 0.00 O ATOM 198 NE2 GLN A 14 14.014 26.401 -28.303 1.00 0.00 N ATOM 0 H GLN A 14 11.707 27.778 -25.870 1.00 0.00 H new ATOM 0 HA GLN A 14 9.495 29.027 -27.199 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.086 29.877 -28.700 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.925 29.804 -27.163 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.266 27.844 -29.474 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.376 29.132 -29.048 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.918 26.258 -29.308 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.553 25.740 -27.743 1.00 0.00 H new ATOM 207 N ALA A 15 8.901 27.595 -29.219 1.00 0.00 N ATOM 208 CA ALA A 15 8.365 26.683 -30.243 1.00 0.00 C ATOM 209 C ALA A 15 9.451 26.308 -31.265 1.00 0.00 C ATOM 210 O ALA A 15 10.204 27.168 -31.735 1.00 0.00 O ATOM 211 CB ALA A 15 7.138 27.303 -30.919 1.00 0.00 C ATOM 0 H ALA A 15 8.476 28.522 -29.236 1.00 0.00 H new ATOM 0 HA ALA A 15 8.046 25.760 -29.758 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.753 26.617 -31.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.367 27.491 -30.172 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.420 28.243 -31.393 1.00 0.00 H new ATOM 217 N GLY A 16 9.516 25.010 -31.591 1.00 0.00 N ATOM 218 CA GLY A 16 10.629 24.436 -32.338 1.00 0.00 C ATOM 219 C GLY A 16 11.753 23.959 -31.418 1.00 0.00 C ATOM 220 O GLY A 16 12.822 23.555 -31.892 1.00 0.00 O ATOM 0 H GLY A 16 8.795 24.333 -31.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.270 23.598 -32.936 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.020 25.179 -33.033 1.00 0.00 H new ATOM 224 N GLY A 17 11.503 24.014 -30.091 1.00 0.00 N ATOM 225 CA GLY A 17 12.470 23.577 -29.080 1.00 0.00 C ATOM 226 C GLY A 17 12.148 22.205 -28.509 1.00 0.00 C ATOM 227 O GLY A 17 11.262 21.500 -29.015 1.00 0.00 O ATOM 0 H GLY A 17 10.627 24.362 -29.700 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.466 23.557 -29.522 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.496 24.306 -28.270 1.00 0.00 H new ATOM 231 N SER A 18 12.861 21.830 -27.434 1.00 0.00 N ATOM 232 CA SER A 18 12.711 20.524 -26.771 1.00 0.00 C ATOM 233 C SER A 18 12.517 20.706 -25.257 1.00 0.00 C ATOM 234 O SER A 18 12.984 21.696 -24.674 1.00 0.00 O ATOM 235 CB SER A 18 13.950 19.645 -27.053 1.00 0.00 C ATOM 236 OG SER A 18 15.145 20.275 -26.609 1.00 0.00 O ATOM 0 H SER A 18 13.562 22.429 -26.998 1.00 0.00 H new ATOM 0 HA SER A 18 11.827 20.028 -27.171 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.837 18.683 -26.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.019 19.443 -28.122 1.00 0.00 H new ATOM 0 HG SER A 18 15.911 19.694 -26.799 1.00 0.00 H new ATOM 242 N LEU A 19 11.839 19.730 -24.636 1.00 0.00 N ATOM 243 CA LEU A 19 11.617 19.688 -23.185 1.00 0.00 C ATOM 244 C LEU A 19 11.529 18.220 -22.749 1.00 0.00 C ATOM 245 O LEU A 19 10.733 17.451 -23.304 1.00 0.00 O ATOM 246 CB LEU A 19 10.329 20.467 -22.801 1.00 0.00 C ATOM 247 CG LEU A 19 10.063 20.661 -21.276 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.241 21.386 -20.588 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.732 21.408 -21.037 1.00 0.00 C ATOM 0 H LEU A 19 11.426 18.941 -25.132 1.00 0.00 H new ATOM 0 HA LEU A 19 12.447 20.170 -22.669 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.373 21.451 -23.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.474 19.947 -23.233 1.00 0.00 H new ATOM 0 HG LEU A 19 9.978 19.672 -20.825 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.025 21.506 -19.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.151 20.798 -20.709 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.380 22.367 -21.043 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.571 21.530 -19.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.775 22.388 -21.512 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.910 20.833 -21.465 1.00 0.00 H new ATOM 261 N ARG A 20 12.369 17.838 -21.779 1.00 0.00 N ATOM 262 CA ARG A 20 12.468 16.455 -21.291 1.00 0.00 C ATOM 263 C ARG A 20 11.862 16.344 -19.881 1.00 0.00 C ATOM 264 O ARG A 20 12.408 16.878 -18.912 1.00 0.00 O ATOM 265 CB ARG A 20 13.946 15.993 -21.305 1.00 0.00 C ATOM 266 CG ARG A 20 14.159 14.526 -20.873 1.00 0.00 C ATOM 267 CD ARG A 20 15.629 14.084 -20.991 1.00 0.00 C ATOM 268 NE ARG A 20 15.835 12.713 -20.483 1.00 0.00 N ATOM 269 CZ ARG A 20 15.864 11.599 -21.230 1.00 0.00 C ATOM 270 NH1 ARG A 20 15.669 11.648 -22.551 1.00 0.00 N ATOM 271 NH2 ARG A 20 16.084 10.431 -20.643 1.00 0.00 N ATOM 0 H ARG A 20 13.003 18.483 -21.307 1.00 0.00 H new ATOM 0 HA ARG A 20 11.901 15.799 -21.952 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.346 16.125 -22.310 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.523 16.641 -20.645 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.828 14.402 -19.842 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.537 13.876 -21.488 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.941 14.135 -22.034 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.262 14.776 -20.435 1.00 0.00 H new ATOM 0 HE ARG A 20 15.967 12.603 -19.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.494 12.543 -23.008 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.695 10.790 -23.102 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.229 10.386 -19.634 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.108 9.577 -21.200 1.00 0.00 H new ATOM 285 N LEU A 21 10.711 15.667 -19.799 1.00 0.00 N ATOM 286 CA LEU A 21 9.990 15.413 -18.545 1.00 0.00 C ATOM 287 C LEU A 21 10.512 14.123 -17.892 1.00 0.00 C ATOM 288 O LEU A 21 11.034 13.232 -18.577 1.00 0.00 O ATOM 289 CB LEU A 21 8.455 15.307 -18.809 1.00 0.00 C ATOM 290 CG LEU A 21 7.735 16.591 -19.354 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.036 17.818 -18.484 1.00 0.00 C ATOM 292 CD2 LEU A 21 8.064 16.863 -20.836 1.00 0.00 C ATOM 0 H LEU A 21 10.246 15.273 -20.617 1.00 0.00 H new ATOM 0 HA LEU A 21 10.164 16.247 -17.865 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.289 14.498 -19.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.970 15.017 -17.877 1.00 0.00 H new ATOM 0 HG LEU A 21 6.664 16.396 -19.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.521 18.688 -18.891 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.691 17.636 -17.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.110 18.003 -18.475 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.542 17.761 -21.166 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.139 17.005 -20.950 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.744 16.015 -21.441 1.00 0.00 H new ATOM 304 N SER A 22 10.379 14.040 -16.562 1.00 0.00 N ATOM 305 CA SER A 22 10.831 12.886 -15.772 1.00 0.00 C ATOM 306 C SER A 22 9.841 12.633 -14.626 1.00 0.00 C ATOM 307 O SER A 22 9.492 13.559 -13.896 1.00 0.00 O ATOM 308 CB SER A 22 12.248 13.146 -15.212 1.00 0.00 C ATOM 309 OG SER A 22 13.126 13.633 -16.213 1.00 0.00 O ATOM 0 H SER A 22 9.952 14.776 -16.000 1.00 0.00 H new ATOM 0 HA SER A 22 10.871 12.004 -16.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.190 13.867 -14.396 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.649 12.223 -14.794 1.00 0.00 H new ATOM 0 HG SER A 22 13.653 12.890 -16.576 1.00 0.00 H new ATOM 315 N CYS A 23 9.414 11.375 -14.474 1.00 0.00 N ATOM 316 CA CYS A 23 8.429 10.954 -13.471 1.00 0.00 C ATOM 317 C CYS A 23 9.020 9.827 -12.617 1.00 0.00 C ATOM 318 O CYS A 23 9.146 8.690 -13.079 1.00 0.00 O ATOM 319 CB CYS A 23 7.136 10.477 -14.163 1.00 0.00 C ATOM 320 SG CYS A 23 5.860 9.911 -13.021 1.00 0.00 S ATOM 0 H CYS A 23 9.749 10.607 -15.055 1.00 0.00 H new ATOM 0 HA CYS A 23 8.185 11.800 -12.829 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.735 11.293 -14.764 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.381 9.666 -14.849 1.00 0.00 H new ATOM 0 HG CYS A 23 5.003 9.172 -13.660 1.00 0.00 H new ATOM 326 N VAL A 24 9.390 10.149 -11.375 1.00 0.00 N ATOM 327 CA VAL A 24 10.025 9.199 -10.456 1.00 0.00 C ATOM 328 C VAL A 24 8.944 8.353 -9.767 1.00 0.00 C ATOM 329 O VAL A 24 8.035 8.892 -9.114 1.00 0.00 O ATOM 330 CB VAL A 24 10.889 9.944 -9.380 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.620 8.944 -8.442 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.890 10.921 -10.054 1.00 0.00 C ATOM 0 H VAL A 24 9.258 11.079 -10.977 1.00 0.00 H new ATOM 0 HA VAL A 24 10.688 8.552 -11.031 1.00 0.00 H new ATOM 0 HB VAL A 24 10.212 10.531 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.209 9.496 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.885 8.326 -7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.279 8.307 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.478 11.426 -9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.555 10.363 -10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.340 11.661 -10.636 1.00 0.00 H new ATOM 342 N ALA A 25 9.058 7.025 -9.907 1.00 0.00 N ATOM 343 CA ALA A 25 8.043 6.092 -9.443 1.00 0.00 C ATOM 344 C ALA A 25 8.340 5.668 -7.999 1.00 0.00 C ATOM 345 O ALA A 25 9.187 4.794 -7.756 1.00 0.00 O ATOM 346 CB ALA A 25 7.988 4.878 -10.385 1.00 0.00 C ATOM 0 H ALA A 25 9.861 6.575 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 25 7.067 6.576 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.227 4.180 -10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.740 5.211 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.958 4.381 -10.395 1.00 0.00 H new ATOM 352 N SER A 26 7.654 6.350 -7.057 1.00 0.00 N ATOM 353 CA SER A 26 7.627 6.009 -5.623 1.00 0.00 C ATOM 354 C SER A 26 9.052 5.940 -5.005 1.00 0.00 C ATOM 355 O SER A 26 9.320 5.156 -4.078 1.00 0.00 O ATOM 356 CB SER A 26 6.822 4.696 -5.441 1.00 0.00 C ATOM 357 OG SER A 26 6.598 4.412 -4.078 1.00 0.00 O ATOM 0 H SER A 26 7.092 7.171 -7.280 1.00 0.00 H new ATOM 0 HA SER A 26 7.126 6.804 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.866 4.779 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.363 3.869 -5.902 1.00 0.00 H new ATOM 0 HG SER A 26 7.422 4.570 -3.571 1.00 0.00 H new ATOM 363 N GLY A 27 9.949 6.800 -5.524 1.00 0.00 N ATOM 364 CA GLY A 27 11.357 6.813 -5.126 1.00 0.00 C ATOM 365 C GLY A 27 12.110 5.620 -5.703 1.00 0.00 C ATOM 366 O GLY A 27 12.654 5.700 -6.810 1.00 0.00 O ATOM 0 H GLY A 27 9.713 7.500 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.824 7.738 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.429 6.799 -4.038 1.00 0.00 H new ATOM 370 N ARG A 28 12.115 4.500 -4.959 1.00 0.00 N ATOM 371 CA ARG A 28 12.813 3.255 -5.352 1.00 0.00 C ATOM 372 C ARG A 28 11.858 2.042 -5.340 1.00 0.00 C ATOM 373 O ARG A 28 12.273 0.924 -5.666 1.00 0.00 O ATOM 374 CB ARG A 28 14.014 2.986 -4.399 1.00 0.00 C ATOM 375 CG ARG A 28 15.066 4.114 -4.323 1.00 0.00 C ATOM 376 CD ARG A 28 15.746 4.405 -5.669 1.00 0.00 C ATOM 377 NE ARG A 28 16.770 5.457 -5.550 1.00 0.00 N ATOM 378 CZ ARG A 28 17.474 5.965 -6.573 1.00 0.00 C ATOM 379 NH1 ARG A 28 17.305 5.516 -7.810 1.00 0.00 N ATOM 380 NH2 ARG A 28 18.352 6.929 -6.354 1.00 0.00 N ATOM 0 H ARG A 28 11.633 4.429 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 28 13.179 3.390 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.627 2.806 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.511 2.070 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.587 5.024 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.827 3.843 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.205 3.492 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.994 4.710 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 28 16.958 5.828 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.631 4.773 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.849 5.914 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.493 7.285 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.888 7.316 -7.130 1.00 0.00 H new ATOM 394 N THR A 29 10.579 2.261 -4.978 1.00 0.00 N ATOM 395 CA THR A 29 9.564 1.190 -4.954 1.00 0.00 C ATOM 396 C THR A 29 9.100 0.894 -6.387 1.00 0.00 C ATOM 397 O THR A 29 8.671 1.805 -7.107 1.00 0.00 O ATOM 398 CB THR A 29 8.349 1.586 -4.059 1.00 0.00 C ATOM 399 OG1 THR A 29 8.789 1.810 -2.713 1.00 0.00 O ATOM 400 CG2 THR A 29 7.225 0.525 -4.059 1.00 0.00 C ATOM 0 H THR A 29 10.223 3.175 -4.697 1.00 0.00 H new ATOM 0 HA THR A 29 10.012 0.294 -4.525 1.00 0.00 H new ATOM 0 HB THR A 29 7.932 2.499 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.023 2.060 -2.156 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.409 0.859 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.855 0.387 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.617 -0.420 -3.684 1.00 0.00 H new ATOM 408 N PHE A 30 9.184 -0.384 -6.776 1.00 0.00 N ATOM 409 CA PHE A 30 8.987 -0.838 -8.160 1.00 0.00 C ATOM 410 C PHE A 30 7.617 -1.522 -8.281 1.00 0.00 C ATOM 411 O PHE A 30 7.306 -2.441 -7.515 1.00 0.00 O ATOM 412 CB PHE A 30 10.152 -1.798 -8.574 1.00 0.00 C ATOM 413 CG PHE A 30 10.364 -3.014 -7.658 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.103 -2.904 -6.478 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.818 -4.262 -7.974 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.281 -3.993 -5.647 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.999 -5.349 -7.142 1.00 0.00 C ATOM 418 CZ PHE A 30 10.727 -5.215 -5.978 1.00 0.00 C ATOM 0 H PHE A 30 9.394 -1.144 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 30 9.002 0.014 -8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.962 -2.156 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.078 -1.224 -8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.542 -1.954 -6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.246 -4.377 -8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.854 -3.889 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.570 -6.305 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.864 -6.065 -5.326 1.00 0.00 H new ATOM 428 N ARG A 31 6.796 -1.030 -9.225 1.00 0.00 N ATOM 429 CA ARG A 31 5.419 -1.510 -9.457 1.00 0.00 C ATOM 430 C ARG A 31 4.906 -1.010 -10.814 1.00 0.00 C ATOM 431 O ARG A 31 5.592 -0.232 -11.501 1.00 0.00 O ATOM 432 CB ARG A 31 4.454 -1.061 -8.296 1.00 0.00 C ATOM 433 CG ARG A 31 4.167 -2.170 -7.265 1.00 0.00 C ATOM 434 CD ARG A 31 3.344 -1.689 -6.062 1.00 0.00 C ATOM 435 NE ARG A 31 3.019 -2.811 -5.168 1.00 0.00 N ATOM 436 CZ ARG A 31 3.749 -3.223 -4.120 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.845 -2.572 -3.741 1.00 0.00 N ATOM 438 NH2 ARG A 31 3.362 -4.297 -3.454 1.00 0.00 N ATOM 0 H ARG A 31 7.072 -0.278 -9.857 1.00 0.00 H new ATOM 0 HA ARG A 31 5.436 -2.600 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.891 -0.205 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.511 -0.726 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.635 -2.984 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.113 -2.577 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.903 -0.931 -5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.425 -1.218 -6.410 1.00 0.00 H new ATOM 0 HE ARG A 31 2.159 -3.323 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.146 -1.741 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.384 -2.904 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.521 -4.798 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.905 -4.625 -2.655 1.00 0.00 H new ATOM 452 N SER A 32 3.684 -1.480 -11.155 1.00 0.00 N ATOM 453 CA SER A 32 2.923 -1.092 -12.351 1.00 0.00 C ATOM 454 C SER A 32 3.638 -1.572 -13.637 1.00 0.00 C ATOM 455 O SER A 32 4.647 -0.994 -14.049 1.00 0.00 O ATOM 456 CB SER A 32 2.642 0.439 -12.355 1.00 0.00 C ATOM 457 OG SER A 32 1.708 0.805 -13.344 1.00 0.00 O ATOM 0 H SER A 32 3.189 -2.163 -10.581 1.00 0.00 H new ATOM 0 HA SER A 32 1.953 -1.589 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.270 0.741 -11.376 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.575 0.978 -12.521 1.00 0.00 H new ATOM 0 HG SER A 32 2.148 0.820 -14.220 1.00 0.00 H new ATOM 463 N ASN A 33 3.094 -2.641 -14.254 1.00 0.00 N ATOM 464 CA ASN A 33 3.675 -3.279 -15.460 1.00 0.00 C ATOM 465 C ASN A 33 3.792 -2.305 -16.646 1.00 0.00 C ATOM 466 O ASN A 33 4.666 -2.456 -17.500 1.00 0.00 O ATOM 467 CB ASN A 33 2.849 -4.521 -15.871 1.00 0.00 C ATOM 468 CG ASN A 33 1.368 -4.201 -16.109 1.00 0.00 C ATOM 469 OD1 ASN A 33 0.545 -4.333 -15.205 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.027 -3.755 -17.305 1.00 0.00 N ATOM 0 H ASN A 33 2.237 -3.090 -13.931 1.00 0.00 H new ATOM 0 HA ASN A 33 4.686 -3.589 -15.195 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.273 -4.949 -16.779 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.931 -5.280 -15.093 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.057 -3.509 -17.500 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.734 -3.657 -18.033 1.00 0.00 H new ATOM 477 N ALA A 34 2.893 -1.316 -16.692 1.00 0.00 N ATOM 478 CA ALA A 34 2.906 -0.253 -17.705 1.00 0.00 C ATOM 479 C ALA A 34 2.896 1.112 -17.016 1.00 0.00 C ATOM 480 O ALA A 34 2.382 1.241 -15.917 1.00 0.00 O ATOM 481 CB ALA A 34 1.704 -0.399 -18.648 1.00 0.00 C ATOM 0 H ALA A 34 2.129 -1.229 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 34 3.814 -0.337 -18.303 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.728 0.396 -19.393 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.749 -1.366 -19.148 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.780 -0.330 -18.073 1.00 0.00 H new ATOM 487 N MET A 35 3.509 2.112 -17.656 1.00 0.00 N ATOM 488 CA MET A 35 3.459 3.522 -17.233 1.00 0.00 C ATOM 489 C MET A 35 3.450 4.385 -18.497 1.00 0.00 C ATOM 490 O MET A 35 4.358 4.278 -19.330 1.00 0.00 O ATOM 491 CB MET A 35 4.648 3.905 -16.291 1.00 0.00 C ATOM 492 CG MET A 35 4.496 3.409 -14.844 1.00 0.00 C ATOM 493 SD MET A 35 5.900 3.830 -13.789 1.00 0.00 S ATOM 494 CE MET A 35 5.363 3.128 -12.229 1.00 0.00 C ATOM 0 H MET A 35 4.065 1.966 -18.498 1.00 0.00 H new ATOM 0 HA MET A 35 2.556 3.692 -16.647 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.570 3.499 -16.707 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.753 4.990 -16.281 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.589 3.835 -14.415 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.368 2.327 -14.851 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.631 3.802 -11.415 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.282 2.990 -12.245 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.850 2.165 -12.077 1.00 0.00 H new ATOM 504 N GLY A 36 2.411 5.219 -18.639 1.00 0.00 N ATOM 505 CA GLY A 36 2.183 5.995 -19.858 1.00 0.00 C ATOM 506 C GLY A 36 2.224 7.489 -19.630 1.00 0.00 C ATOM 507 O GLY A 36 2.567 7.950 -18.539 1.00 0.00 O ATOM 0 H GLY A 36 1.710 5.372 -17.914 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.937 5.726 -20.598 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.214 5.724 -20.277 1.00 0.00 H new ATOM 511 N TRP A 37 1.894 8.245 -20.690 1.00 0.00 N ATOM 512 CA TRP A 37 1.806 9.711 -20.661 1.00 0.00 C ATOM 513 C TRP A 37 0.496 10.154 -21.334 1.00 0.00 C ATOM 514 O TRP A 37 0.030 9.535 -22.299 1.00 0.00 O ATOM 515 CB TRP A 37 3.028 10.364 -21.371 1.00 0.00 C ATOM 516 CG TRP A 37 4.351 10.125 -20.667 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.275 9.149 -20.941 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.882 10.874 -19.557 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.345 9.261 -20.090 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.126 10.305 -19.226 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.427 11.977 -18.819 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.919 10.797 -18.190 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.215 12.465 -17.789 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.451 11.875 -17.485 1.00 0.00 C ATOM 0 H TRP A 37 1.678 7.847 -21.604 1.00 0.00 H new ATOM 0 HA TRP A 37 1.814 10.041 -19.622 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.094 9.977 -22.388 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.859 11.438 -21.449 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.175 8.401 -21.714 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.172 8.664 -20.098 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.478 12.438 -19.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.870 10.344 -17.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.873 13.311 -17.212 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.046 12.279 -16.679 1.00 0.00 H new ATOM 535 N PHE A 38 -0.091 11.214 -20.783 1.00 0.00 N ATOM 536 CA PHE A 38 -1.304 11.879 -21.282 1.00 0.00 C ATOM 537 C PHE A 38 -1.054 13.399 -21.241 1.00 0.00 C ATOM 538 O PHE A 38 -0.023 13.848 -20.722 1.00 0.00 O ATOM 539 CB PHE A 38 -2.558 11.522 -20.419 1.00 0.00 C ATOM 540 CG PHE A 38 -3.051 10.075 -20.511 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.382 9.039 -19.863 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.205 9.754 -21.235 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.842 7.737 -19.937 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.661 8.452 -21.307 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.979 7.443 -20.658 1.00 0.00 C ATOM 0 H PHE A 38 0.277 11.656 -19.941 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.509 11.541 -22.298 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.330 11.741 -19.376 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.375 12.182 -20.712 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.490 9.256 -19.294 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.747 10.536 -21.745 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.308 6.948 -19.428 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.553 8.223 -21.872 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.336 6.425 -20.715 1.00 0.00 H new ATOM 555 N ARG A 39 -1.981 14.185 -21.810 1.00 0.00 N ATOM 556 CA ARG A 39 -1.943 15.659 -21.713 1.00 0.00 C ATOM 557 C ARG A 39 -3.355 16.216 -21.490 1.00 0.00 C ATOM 558 O ARG A 39 -4.267 15.967 -22.277 1.00 0.00 O ATOM 559 CB ARG A 39 -1.282 16.308 -22.957 1.00 0.00 C ATOM 560 CG ARG A 39 -1.972 16.042 -24.321 1.00 0.00 C ATOM 561 CD ARG A 39 -1.300 16.824 -25.459 1.00 0.00 C ATOM 562 NE ARG A 39 -1.907 16.582 -26.779 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.377 16.979 -27.950 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.167 17.541 -28.004 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.054 16.781 -29.070 1.00 0.00 N ATOM 0 H ARG A 39 -2.771 13.825 -22.345 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.324 15.916 -20.853 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.241 17.386 -22.799 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.252 15.956 -23.020 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.939 14.975 -24.544 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.023 16.323 -24.258 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.350 17.890 -25.235 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.244 16.556 -25.499 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.793 16.077 -26.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.372 17.675 -27.148 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.219 17.836 -28.901 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.969 16.331 -29.040 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.661 17.078 -29.963 1.00 0.00 H new ATOM 579 N GLN A 40 -3.508 16.975 -20.409 1.00 0.00 N ATOM 580 CA GLN A 40 -4.784 17.569 -19.988 1.00 0.00 C ATOM 581 C GLN A 40 -4.817 19.053 -20.382 1.00 0.00 C ATOM 582 O GLN A 40 -3.835 19.782 -20.184 1.00 0.00 O ATOM 583 CB GLN A 40 -4.961 17.407 -18.453 1.00 0.00 C ATOM 584 CG GLN A 40 -6.256 18.024 -17.881 1.00 0.00 C ATOM 585 CD GLN A 40 -7.538 17.306 -18.324 1.00 0.00 C ATOM 586 OE1 GLN A 40 -7.576 16.083 -18.471 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.580 18.067 -18.585 1.00 0.00 N ATOM 0 H GLN A 40 -2.735 17.202 -19.784 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.606 17.056 -20.487 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.943 16.345 -18.210 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.106 17.863 -17.953 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.202 18.011 -16.792 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.314 19.069 -18.185 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.520 19.077 -18.454 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.448 17.647 -18.918 1.00 0.00 H new ATOM 596 N ALA A 41 -5.956 19.479 -20.941 1.00 0.00 N ATOM 597 CA ALA A 41 -6.226 20.881 -21.294 1.00 0.00 C ATOM 598 C ALA A 41 -7.506 21.351 -20.568 1.00 0.00 C ATOM 599 O ALA A 41 -8.469 20.579 -20.481 1.00 0.00 O ATOM 600 CB ALA A 41 -6.366 21.024 -22.821 1.00 0.00 C ATOM 0 H ALA A 41 -6.728 18.851 -21.165 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.394 21.510 -20.976 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.566 22.066 -23.072 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.441 20.706 -23.303 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.190 20.402 -23.171 1.00 0.00 H new ATOM 606 N PRO A 42 -7.527 22.604 -20.000 1.00 0.00 N ATOM 607 CA PRO A 42 -8.722 23.151 -19.303 1.00 0.00 C ATOM 608 C PRO A 42 -9.899 23.379 -20.279 1.00 0.00 C ATOM 609 O PRO A 42 -9.780 24.169 -21.220 1.00 0.00 O ATOM 610 CB PRO A 42 -8.217 24.488 -18.677 1.00 0.00 C ATOM 611 CG PRO A 42 -6.717 24.400 -18.741 1.00 0.00 C ATOM 612 CD PRO A 42 -6.398 23.573 -19.963 1.00 0.00 C ATOM 0 HA PRO A 42 -9.115 22.466 -18.552 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.587 25.350 -19.233 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.563 24.599 -17.649 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.271 25.392 -18.814 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.315 23.936 -17.840 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.356 24.182 -20.866 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.435 23.071 -19.873 1.00 0.00 H new ATOM 620 N GLY A 43 -11.020 22.675 -20.051 1.00 0.00 N ATOM 621 CA GLY A 43 -12.171 22.703 -20.971 1.00 0.00 C ATOM 622 C GLY A 43 -12.188 21.510 -21.931 1.00 0.00 C ATOM 623 O GLY A 43 -13.094 21.381 -22.763 1.00 0.00 O ATOM 0 H GLY A 43 -11.154 22.078 -19.235 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.094 22.711 -20.392 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.148 23.628 -21.547 1.00 0.00 H new ATOM 627 N LYS A 44 -11.183 20.628 -21.795 1.00 0.00 N ATOM 628 CA LYS A 44 -11.011 19.418 -22.625 1.00 0.00 C ATOM 629 C LYS A 44 -10.651 18.221 -21.743 1.00 0.00 C ATOM 630 O LYS A 44 -10.439 18.370 -20.542 1.00 0.00 O ATOM 631 CB LYS A 44 -9.917 19.649 -23.718 1.00 0.00 C ATOM 632 CG LYS A 44 -10.368 20.451 -24.981 1.00 0.00 C ATOM 633 CD LYS A 44 -11.046 19.568 -26.075 1.00 0.00 C ATOM 634 CE LYS A 44 -12.471 19.078 -25.723 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.934 18.006 -26.637 1.00 0.00 N ATOM 0 H LYS A 44 -10.452 20.736 -21.092 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.953 19.206 -23.131 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.079 20.174 -23.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.546 18.677 -24.043 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.063 21.233 -24.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.500 20.948 -25.414 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.092 20.137 -27.004 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.415 18.700 -26.264 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.484 18.710 -24.697 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.164 19.918 -25.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.946 17.826 -26.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.787 18.303 -27.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.394 17.136 -26.454 1.00 0.00 H new ATOM 649 N GLU A 45 -10.615 17.034 -22.365 1.00 0.00 N ATOM 650 CA GLU A 45 -10.236 15.766 -21.707 1.00 0.00 C ATOM 651 C GLU A 45 -8.746 15.467 -21.962 1.00 0.00 C ATOM 652 O GLU A 45 -8.162 15.980 -22.932 1.00 0.00 O ATOM 653 CB GLU A 45 -11.127 14.581 -22.210 1.00 0.00 C ATOM 654 CG GLU A 45 -11.047 14.241 -23.730 1.00 0.00 C ATOM 655 CD GLU A 45 -11.701 15.287 -24.663 1.00 0.00 C ATOM 656 OE1 GLU A 45 -12.948 15.356 -24.719 1.00 0.00 O ATOM 657 OE2 GLU A 45 -10.969 16.068 -25.310 1.00 0.00 O ATOM 0 H GLU A 45 -10.850 16.921 -23.351 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.399 15.873 -20.635 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.855 13.688 -21.647 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.165 14.808 -21.966 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.999 14.131 -24.009 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.525 13.276 -23.898 1.00 0.00 H new ATOM 664 N ARG A 46 -8.125 14.650 -21.077 1.00 0.00 N ATOM 665 CA ARG A 46 -6.720 14.236 -21.253 1.00 0.00 C ATOM 666 C ARG A 46 -6.581 13.266 -22.437 1.00 0.00 C ATOM 667 O ARG A 46 -7.278 12.246 -22.522 1.00 0.00 O ATOM 668 CB ARG A 46 -6.056 13.663 -19.953 1.00 0.00 C ATOM 669 CG ARG A 46 -6.520 12.281 -19.424 1.00 0.00 C ATOM 670 CD ARG A 46 -7.969 12.247 -18.903 1.00 0.00 C ATOM 671 NE ARG A 46 -8.174 11.145 -17.941 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.281 10.410 -17.809 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.299 10.542 -18.637 1.00 0.00 N ATOM 674 NH2 ARG A 46 -9.355 9.527 -16.832 1.00 0.00 N ATOM 0 H ARG A 46 -8.573 14.270 -20.243 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.163 15.145 -21.479 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.982 13.605 -20.129 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.210 14.390 -19.156 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.418 11.548 -20.224 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.852 11.971 -18.621 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.207 13.197 -18.425 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.655 12.131 -19.742 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.396 10.925 -17.319 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.252 11.218 -19.400 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.134 9.968 -18.515 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.572 9.412 -16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.195 8.959 -16.720 1.00 0.00 H new ATOM 688 N GLU A 47 -5.684 13.630 -23.352 1.00 0.00 N ATOM 689 CA GLU A 47 -5.433 12.912 -24.601 1.00 0.00 C ATOM 690 C GLU A 47 -4.286 11.919 -24.392 1.00 0.00 C ATOM 691 O GLU A 47 -3.286 12.262 -23.747 1.00 0.00 O ATOM 692 CB GLU A 47 -5.044 13.940 -25.689 1.00 0.00 C ATOM 693 CG GLU A 47 -4.818 13.363 -27.100 1.00 0.00 C ATOM 694 CD GLU A 47 -4.182 14.371 -28.069 1.00 0.00 C ATOM 695 OE1 GLU A 47 -4.704 15.499 -28.206 1.00 0.00 O ATOM 696 OE2 GLU A 47 -3.144 14.049 -28.688 1.00 0.00 O ATOM 0 H GLU A 47 -5.095 14.456 -23.242 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.325 12.366 -24.910 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.827 14.696 -25.746 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.133 14.449 -25.374 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.178 12.484 -27.028 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.773 13.030 -27.507 1.00 0.00 H new ATOM 703 N PHE A 48 -4.435 10.707 -24.947 1.00 0.00 N ATOM 704 CA PHE A 48 -3.417 9.649 -24.860 1.00 0.00 C ATOM 705 C PHE A 48 -2.185 10.041 -25.697 1.00 0.00 C ATOM 706 O PHE A 48 -2.276 10.179 -26.923 1.00 0.00 O ATOM 707 CB PHE A 48 -4.017 8.301 -25.337 1.00 0.00 C ATOM 708 CG PHE A 48 -3.073 7.099 -25.209 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.251 6.711 -26.268 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.012 6.357 -24.029 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.406 5.627 -26.151 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.164 5.273 -23.914 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.363 4.908 -24.976 1.00 0.00 C ATOM 0 H PHE A 48 -5.267 10.432 -25.470 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.099 9.530 -23.824 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.921 8.098 -24.764 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.317 8.401 -26.380 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.277 7.268 -27.193 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.637 6.634 -23.193 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.777 5.341 -26.981 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.128 4.711 -22.992 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.702 4.059 -24.887 1.00 0.00 H new ATOM 723 N VAL A 49 -1.047 10.242 -25.015 1.00 0.00 N ATOM 724 CA VAL A 49 0.235 10.592 -25.658 1.00 0.00 C ATOM 725 C VAL A 49 1.060 9.322 -25.912 1.00 0.00 C ATOM 726 O VAL A 49 1.452 9.058 -27.049 1.00 0.00 O ATOM 727 CB VAL A 49 1.054 11.629 -24.792 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.469 11.923 -25.377 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.249 12.939 -24.618 1.00 0.00 C ATOM 0 H VAL A 49 -0.987 10.167 -24.000 1.00 0.00 H new ATOM 0 HA VAL A 49 0.016 11.068 -26.614 1.00 0.00 H new ATOM 0 HB VAL A 49 1.212 11.173 -23.815 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.984 12.642 -24.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.044 10.998 -25.420 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.369 12.335 -26.381 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.826 13.644 -24.019 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.047 13.375 -25.597 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.694 12.723 -24.115 1.00 0.00 H new ATOM 739 N ALA A 50 1.266 8.516 -24.852 1.00 0.00 N ATOM 740 CA ALA A 50 2.227 7.403 -24.878 1.00 0.00 C ATOM 741 C ALA A 50 1.892 6.311 -23.850 1.00 0.00 C ATOM 742 O ALA A 50 1.024 6.499 -22.990 1.00 0.00 O ATOM 743 CB ALA A 50 3.638 7.949 -24.628 1.00 0.00 C ATOM 0 H ALA A 50 0.775 8.619 -23.964 1.00 0.00 H new ATOM 0 HA ALA A 50 2.171 6.937 -25.862 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.354 7.128 -24.646 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.892 8.670 -25.405 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.672 8.438 -23.655 1.00 0.00 H new ATOM 749 N ALA A 51 2.602 5.166 -23.971 1.00 0.00 N ATOM 750 CA ALA A 51 2.577 4.065 -22.991 1.00 0.00 C ATOM 751 C ALA A 51 3.837 3.188 -23.139 1.00 0.00 C ATOM 752 O ALA A 51 4.237 2.822 -24.263 1.00 0.00 O ATOM 753 CB ALA A 51 1.298 3.215 -23.117 1.00 0.00 C ATOM 0 H ALA A 51 3.216 4.982 -24.765 1.00 0.00 H new ATOM 0 HA ALA A 51 2.572 4.507 -21.995 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.319 2.415 -22.377 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.425 3.844 -22.946 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.245 2.784 -24.117 1.00 0.00 H new ATOM 759 N ILE A 52 4.479 2.899 -21.989 1.00 0.00 N ATOM 760 CA ILE A 52 5.645 2.011 -21.897 1.00 0.00 C ATOM 761 C ILE A 52 5.260 0.798 -21.044 1.00 0.00 C ATOM 762 O ILE A 52 4.987 0.949 -19.855 1.00 0.00 O ATOM 763 CB ILE A 52 6.919 2.707 -21.249 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.347 4.027 -21.993 1.00 0.00 C ATOM 765 CG2 ILE A 52 8.102 1.704 -21.183 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.524 5.263 -21.656 1.00 0.00 C ATOM 0 H ILE A 52 4.194 3.284 -21.088 1.00 0.00 H new ATOM 0 HA ILE A 52 5.920 1.728 -22.913 1.00 0.00 H new ATOM 0 HB ILE A 52 6.638 3.003 -20.238 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.392 4.233 -21.760 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.288 3.854 -23.068 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.969 2.192 -20.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.817 0.845 -20.575 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.352 1.369 -22.190 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.900 6.116 -22.221 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.480 5.087 -21.916 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.601 5.472 -20.589 1.00 0.00 H new ATOM 778 N ARG A 53 5.264 -0.399 -21.638 1.00 0.00 N ATOM 779 CA ARG A 53 4.926 -1.646 -20.928 1.00 0.00 C ATOM 780 C ARG A 53 6.147 -2.577 -20.927 1.00 0.00 C ATOM 781 O ARG A 53 6.896 -2.619 -21.912 1.00 0.00 O ATOM 782 CB ARG A 53 3.683 -2.330 -21.582 1.00 0.00 C ATOM 783 CG ARG A 53 2.974 -3.372 -20.677 1.00 0.00 C ATOM 784 CD ARG A 53 1.697 -3.959 -21.316 1.00 0.00 C ATOM 785 NE ARG A 53 0.828 -4.605 -20.311 1.00 0.00 N ATOM 786 CZ ARG A 53 0.568 -5.920 -20.208 1.00 0.00 C ATOM 787 NH1 ARG A 53 1.115 -6.801 -21.032 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.258 -6.344 -19.267 1.00 0.00 N ATOM 0 H ARG A 53 5.500 -0.536 -22.621 1.00 0.00 H new ATOM 0 HA ARG A 53 4.663 -1.418 -19.895 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.964 -1.559 -21.860 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.997 -2.821 -22.503 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.668 -4.183 -20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.716 -2.904 -19.727 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.144 -3.165 -21.818 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.974 -4.687 -22.079 1.00 0.00 H new ATOM 0 HE ARG A 53 0.381 -3.993 -19.628 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.750 -6.487 -21.766 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.901 -7.793 -20.933 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.690 -5.676 -18.629 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.463 -7.339 -19.179 1.00 0.00 H new ATOM 802 N TRP A 54 6.327 -3.335 -19.820 1.00 0.00 N ATOM 803 CA TRP A 54 7.453 -4.291 -19.651 1.00 0.00 C ATOM 804 C TRP A 54 7.365 -5.455 -20.664 1.00 0.00 C ATOM 805 O TRP A 54 8.332 -6.193 -20.843 1.00 0.00 O ATOM 806 CB TRP A 54 7.483 -4.862 -18.205 1.00 0.00 C ATOM 807 CG TRP A 54 7.718 -3.845 -17.101 1.00 0.00 C ATOM 808 CD1 TRP A 54 8.243 -2.579 -17.217 1.00 0.00 C ATOM 809 CD2 TRP A 54 7.455 -4.033 -15.700 1.00 0.00 C ATOM 810 NE1 TRP A 54 8.302 -1.979 -15.988 1.00 0.00 N ATOM 811 CE2 TRP A 54 7.825 -2.847 -15.042 1.00 0.00 C ATOM 812 CE3 TRP A 54 6.932 -5.092 -14.944 1.00 0.00 C ATOM 813 CZ2 TRP A 54 7.690 -2.688 -13.665 1.00 0.00 C ATOM 814 CZ3 TRP A 54 6.799 -4.932 -13.576 1.00 0.00 C ATOM 815 CH2 TRP A 54 7.176 -3.736 -12.949 1.00 0.00 C ATOM 0 H TRP A 54 5.698 -3.303 -19.018 1.00 0.00 H new ATOM 0 HA TRP A 54 8.374 -3.738 -19.837 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.536 -5.367 -18.013 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.265 -5.619 -18.149 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.562 -2.124 -18.143 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.646 -1.036 -15.806 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.638 -6.016 -15.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.981 -1.769 -13.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.399 -5.741 -12.982 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.059 -3.639 -11.880 1.00 0.00 H new ATOM 826 N SER A 55 6.198 -5.597 -21.318 1.00 0.00 N ATOM 827 CA SER A 55 5.965 -6.609 -22.368 1.00 0.00 C ATOM 828 C SER A 55 6.659 -6.238 -23.700 1.00 0.00 C ATOM 829 O SER A 55 6.593 -7.002 -24.668 1.00 0.00 O ATOM 830 CB SER A 55 4.448 -6.757 -22.573 1.00 0.00 C ATOM 831 OG SER A 55 3.785 -6.901 -21.329 1.00 0.00 O ATOM 0 H SER A 55 5.385 -5.010 -21.133 1.00 0.00 H new ATOM 0 HA SER A 55 6.399 -7.555 -22.045 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.060 -5.884 -23.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.244 -7.624 -23.202 1.00 0.00 H new ATOM 0 HG SER A 55 3.444 -7.816 -21.244 1.00 0.00 H new ATOM 837 N GLY A 56 7.313 -5.059 -23.744 1.00 0.00 N ATOM 838 CA GLY A 56 8.052 -4.599 -24.924 1.00 0.00 C ATOM 839 C GLY A 56 7.366 -3.438 -25.631 1.00 0.00 C ATOM 840 O GLY A 56 8.001 -2.742 -26.429 1.00 0.00 O ATOM 0 H GLY A 56 7.340 -4.405 -22.962 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.055 -4.295 -24.624 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.166 -5.428 -25.622 1.00 0.00 H new ATOM 844 N GLY A 57 6.066 -3.227 -25.329 1.00 0.00 N ATOM 845 CA GLY A 57 5.282 -2.120 -25.901 1.00 0.00 C ATOM 846 C GLY A 57 5.630 -0.775 -25.274 1.00 0.00 C ATOM 847 O GLY A 57 4.845 -0.211 -24.505 1.00 0.00 O ATOM 0 H GLY A 57 5.538 -3.817 -24.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.457 -2.072 -26.976 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.220 -2.320 -25.759 1.00 0.00 H new ATOM 851 N SER A 58 6.821 -0.264 -25.623 1.00 0.00 N ATOM 852 CA SER A 58 7.448 0.900 -24.973 1.00 0.00 C ATOM 853 C SER A 58 7.390 2.156 -25.861 1.00 0.00 C ATOM 854 O SER A 58 8.228 3.063 -25.727 1.00 0.00 O ATOM 855 CB SER A 58 8.906 0.521 -24.624 1.00 0.00 C ATOM 856 OG SER A 58 8.936 -0.618 -23.774 1.00 0.00 O ATOM 0 H SER A 58 7.386 -0.654 -26.378 1.00 0.00 H new ATOM 0 HA SER A 58 6.899 1.151 -24.066 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.463 0.314 -25.538 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.399 1.361 -24.134 1.00 0.00 H new ATOM 0 HG SER A 58 9.866 -0.845 -23.564 1.00 0.00 H new ATOM 862 N THR A 59 6.345 2.250 -26.709 1.00 0.00 N ATOM 863 CA THR A 59 6.267 3.280 -27.765 1.00 0.00 C ATOM 864 C THR A 59 4.812 3.509 -28.216 1.00 0.00 C ATOM 865 O THR A 59 4.156 2.577 -28.693 1.00 0.00 O ATOM 866 CB THR A 59 7.144 2.885 -29.016 1.00 0.00 C ATOM 867 OG1 THR A 59 8.529 2.793 -28.646 1.00 0.00 O ATOM 868 CG2 THR A 59 7.006 3.879 -30.188 1.00 0.00 C ATOM 0 H THR A 59 5.541 1.623 -26.682 1.00 0.00 H new ATOM 0 HA THR A 59 6.656 4.204 -27.336 1.00 0.00 H new ATOM 0 HB THR A 59 6.773 1.918 -29.355 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.061 2.546 -29.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.633 3.553 -31.018 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.966 3.917 -30.512 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.321 4.871 -29.863 1.00 0.00 H new ATOM 876 N TYR A 60 4.363 4.773 -28.082 1.00 0.00 N ATOM 877 CA TYR A 60 3.078 5.294 -28.592 1.00 0.00 C ATOM 878 C TYR A 60 3.224 6.819 -28.756 1.00 0.00 C ATOM 879 O TYR A 60 3.800 7.476 -27.882 1.00 0.00 O ATOM 880 CB TYR A 60 1.880 4.985 -27.635 1.00 0.00 C ATOM 881 CG TYR A 60 1.399 3.524 -27.618 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.540 3.036 -28.606 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.795 2.634 -26.613 1.00 0.00 C ATOM 884 CE1 TYR A 60 0.101 1.723 -28.594 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.358 1.320 -26.599 1.00 0.00 C ATOM 886 CZ TYR A 60 0.511 0.868 -27.591 1.00 0.00 C ATOM 887 OH TYR A 60 0.077 -0.445 -27.586 1.00 0.00 O ATOM 0 H TYR A 60 4.906 5.487 -27.597 1.00 0.00 H new ATOM 0 HA TYR A 60 2.857 4.804 -29.540 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.167 5.265 -26.622 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.041 5.621 -27.916 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.212 3.696 -29.395 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.456 2.979 -25.832 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.562 1.368 -29.369 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.679 0.651 -25.814 1.00 0.00 H new ATOM 0 HH TYR A 60 0.458 -0.913 -26.814 1.00 0.00 H new ATOM 897 N TYR A 61 2.741 7.351 -29.892 1.00 0.00 N ATOM 898 CA TYR A 61 2.687 8.807 -30.175 1.00 0.00 C ATOM 899 C TYR A 61 1.763 9.083 -31.375 1.00 0.00 C ATOM 900 O TYR A 61 1.425 8.163 -32.131 1.00 0.00 O ATOM 901 CB TYR A 61 4.113 9.420 -30.405 1.00 0.00 C ATOM 902 CG TYR A 61 5.068 8.586 -31.279 1.00 0.00 C ATOM 903 CD1 TYR A 61 6.274 8.097 -30.764 1.00 0.00 C ATOM 904 CD2 TYR A 61 4.766 8.281 -32.606 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.133 7.344 -31.540 1.00 0.00 C ATOM 906 CE2 TYR A 61 5.619 7.529 -33.380 1.00 0.00 C ATOM 907 CZ TYR A 61 6.801 7.059 -32.848 1.00 0.00 C ATOM 908 OH TYR A 61 7.655 6.310 -33.630 1.00 0.00 O ATOM 0 H TYR A 61 2.371 6.780 -30.652 1.00 0.00 H new ATOM 0 HA TYR A 61 2.274 9.299 -29.294 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.996 10.402 -30.863 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.582 9.575 -29.433 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.538 8.313 -29.739 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.843 8.643 -33.035 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.061 6.980 -31.124 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.363 7.307 -34.405 1.00 0.00 H new ATOM 0 HH TYR A 61 7.269 6.201 -34.524 1.00 0.00 H new ATOM 918 N ALA A 62 1.363 10.356 -31.549 1.00 0.00 N ATOM 919 CA ALA A 62 0.541 10.783 -32.696 1.00 0.00 C ATOM 920 C ALA A 62 1.379 10.837 -33.990 1.00 0.00 C ATOM 921 O ALA A 62 2.615 10.901 -33.943 1.00 0.00 O ATOM 922 CB ALA A 62 -0.113 12.141 -32.401 1.00 0.00 C ATOM 0 H ALA A 62 1.598 11.111 -30.905 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.248 10.047 -32.849 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.718 12.447 -33.255 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.748 12.055 -31.519 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.662 12.886 -32.220 1.00 0.00 H new ATOM 928 N ASP A 63 0.686 10.819 -35.138 1.00 0.00 N ATOM 929 CA ASP A 63 1.322 10.752 -36.474 1.00 0.00 C ATOM 930 C ASP A 63 2.123 12.032 -36.791 1.00 0.00 C ATOM 931 O ASP A 63 3.182 11.969 -37.426 1.00 0.00 O ATOM 932 CB ASP A 63 0.241 10.509 -37.556 1.00 0.00 C ATOM 933 CG ASP A 63 0.817 10.356 -38.981 1.00 0.00 C ATOM 934 OD1 ASP A 63 0.864 11.353 -39.736 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.228 9.233 -39.350 1.00 0.00 O ATOM 0 H ASP A 63 -0.333 10.850 -35.173 1.00 0.00 H new ATOM 0 HA ASP A 63 2.027 9.920 -36.472 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.320 9.610 -37.301 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.465 11.339 -37.546 1.00 0.00 H new ATOM 940 N SER A 64 1.604 13.180 -36.337 1.00 0.00 N ATOM 941 CA SER A 64 2.229 14.496 -36.563 1.00 0.00 C ATOM 942 C SER A 64 3.545 14.644 -35.771 1.00 0.00 C ATOM 943 O SER A 64 4.506 15.253 -36.251 1.00 0.00 O ATOM 944 CB SER A 64 1.236 15.599 -36.159 1.00 0.00 C ATOM 945 OG SER A 64 0.812 15.434 -34.813 1.00 0.00 O ATOM 0 H SER A 64 0.737 13.226 -35.801 1.00 0.00 H new ATOM 0 HA SER A 64 2.476 14.587 -37.621 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.704 16.576 -36.280 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.371 15.575 -36.822 1.00 0.00 H new ATOM 0 HG SER A 64 0.183 16.148 -34.578 1.00 0.00 H new ATOM 951 N VAL A 65 3.571 14.067 -34.557 1.00 0.00 N ATOM 952 CA VAL A 65 4.724 14.164 -33.629 1.00 0.00 C ATOM 953 C VAL A 65 5.633 12.913 -33.715 1.00 0.00 C ATOM 954 O VAL A 65 6.494 12.704 -32.847 1.00 0.00 O ATOM 955 CB VAL A 65 4.219 14.386 -32.153 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.317 15.644 -32.047 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.493 13.137 -31.604 1.00 0.00 C ATOM 0 H VAL A 65 2.795 13.519 -34.186 1.00 0.00 H new ATOM 0 HA VAL A 65 5.324 15.023 -33.929 1.00 0.00 H new ATOM 0 HB VAL A 65 5.100 14.553 -31.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.986 15.768 -31.016 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.882 16.524 -32.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.449 15.525 -32.695 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.160 13.329 -30.584 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.631 12.912 -32.231 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.176 12.288 -31.609 1.00 0.00 H new ATOM 967 N LYS A 66 5.444 12.119 -34.788 1.00 0.00 N ATOM 968 CA LYS A 66 6.161 10.850 -35.021 1.00 0.00 C ATOM 969 C LYS A 66 7.687 11.053 -35.089 1.00 0.00 C ATOM 970 O LYS A 66 8.190 11.744 -35.983 1.00 0.00 O ATOM 971 CB LYS A 66 5.640 10.199 -36.328 1.00 0.00 C ATOM 972 CG LYS A 66 6.248 8.816 -36.671 1.00 0.00 C ATOM 973 CD LYS A 66 5.596 8.170 -37.916 1.00 0.00 C ATOM 974 CE LYS A 66 4.075 7.967 -37.765 1.00 0.00 C ATOM 975 NZ LYS A 66 3.469 7.382 -38.986 1.00 0.00 N ATOM 0 H LYS A 66 4.779 12.345 -35.528 1.00 0.00 H new ATOM 0 HA LYS A 66 5.966 10.189 -34.177 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.558 10.093 -36.254 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.838 10.879 -37.156 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.319 8.927 -36.843 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.130 8.150 -35.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.788 8.797 -38.786 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.068 7.206 -38.107 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.879 7.314 -36.914 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.601 8.924 -37.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.632 7.936 -39.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.163 7.400 -39.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.187 6.399 -38.797 1.00 0.00 H new ATOM 989 N GLY A 67 8.395 10.479 -34.096 1.00 0.00 N ATOM 990 CA GLY A 67 9.859 10.544 -34.011 1.00 0.00 C ATOM 991 C GLY A 67 10.374 11.766 -33.250 1.00 0.00 C ATOM 992 O GLY A 67 11.522 11.772 -32.786 1.00 0.00 O ATOM 0 H GLY A 67 7.963 9.958 -33.332 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.227 9.641 -33.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.273 10.553 -35.019 1.00 0.00 H new ATOM 996 N ARG A 68 9.524 12.797 -33.123 1.00 0.00 N ATOM 997 CA ARG A 68 9.852 14.032 -32.385 1.00 0.00 C ATOM 998 C ARG A 68 9.647 13.779 -30.885 1.00 0.00 C ATOM 999 O ARG A 68 10.504 14.093 -30.052 1.00 0.00 O ATOM 1000 CB ARG A 68 8.957 15.212 -32.863 1.00 0.00 C ATOM 1001 CG ARG A 68 8.771 15.310 -34.393 1.00 0.00 C ATOM 1002 CD ARG A 68 8.147 16.645 -34.849 1.00 0.00 C ATOM 1003 NE ARG A 68 6.937 17.027 -34.083 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.888 17.702 -34.578 1.00 0.00 C ATOM 1005 NH1 ARG A 68 5.806 17.976 -35.873 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.911 18.080 -33.771 1.00 0.00 N ATOM 0 H ARG A 68 8.588 12.800 -33.529 1.00 0.00 H new ATOM 0 HA ARG A 68 10.890 14.304 -32.575 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.976 15.116 -32.398 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.390 16.146 -32.504 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.739 15.185 -34.878 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.138 14.488 -34.728 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.891 17.436 -34.754 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.890 16.574 -35.906 1.00 0.00 H new ATOM 0 HE ARG A 68 6.898 16.755 -33.101 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.546 17.673 -36.506 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.003 18.490 -36.236 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.957 17.858 -32.776 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.112 18.593 -34.143 1.00 0.00 H new ATOM 1020 N PHE A 69 8.476 13.201 -30.570 1.00 0.00 N ATOM 1021 CA PHE A 69 8.142 12.725 -29.224 1.00 0.00 C ATOM 1022 C PHE A 69 8.700 11.300 -29.068 1.00 0.00 C ATOM 1023 O PHE A 69 8.400 10.414 -29.876 1.00 0.00 O ATOM 1024 CB PHE A 69 6.602 12.753 -28.984 1.00 0.00 C ATOM 1025 CG PHE A 69 5.972 14.145 -28.792 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.505 15.290 -29.397 1.00 0.00 C ATOM 1027 CD2 PHE A 69 4.822 14.301 -28.007 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.908 16.530 -29.230 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.230 15.541 -27.839 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.774 16.655 -28.447 1.00 0.00 C ATOM 0 H PHE A 69 7.731 13.051 -31.250 1.00 0.00 H new ATOM 0 HA PHE A 69 8.589 13.382 -28.478 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.114 12.269 -29.830 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.381 12.152 -28.102 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.395 15.206 -30.003 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.389 13.437 -27.524 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.329 17.400 -29.712 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.342 15.637 -27.232 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.315 17.623 -28.312 1.00 0.00 H new ATOM 1040 N THR A 70 9.534 11.112 -28.045 1.00 0.00 N ATOM 1041 CA THR A 70 10.218 9.853 -27.752 1.00 0.00 C ATOM 1042 C THR A 70 10.000 9.538 -26.272 1.00 0.00 C ATOM 1043 O THR A 70 10.129 10.427 -25.429 1.00 0.00 O ATOM 1044 CB THR A 70 11.751 9.970 -28.057 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.937 10.544 -29.361 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.460 8.601 -27.977 1.00 0.00 C ATOM 0 H THR A 70 9.758 11.852 -27.379 1.00 0.00 H new ATOM 0 HA THR A 70 9.816 9.056 -28.378 1.00 0.00 H new ATOM 0 HB THR A 70 12.197 10.614 -27.299 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.895 10.619 -29.552 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.520 8.727 -28.195 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.342 8.188 -26.975 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.019 7.920 -28.704 1.00 0.00 H new ATOM 1054 N ILE A 71 9.654 8.286 -25.952 1.00 0.00 N ATOM 1055 CA ILE A 71 9.342 7.871 -24.576 1.00 0.00 C ATOM 1056 C ILE A 71 10.136 6.623 -24.198 1.00 0.00 C ATOM 1057 O ILE A 71 10.387 5.747 -25.035 1.00 0.00 O ATOM 1058 CB ILE A 71 7.800 7.630 -24.331 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.172 6.558 -25.296 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.028 8.960 -24.392 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.984 6.977 -26.750 1.00 0.00 C ATOM 0 H ILE A 71 9.582 7.533 -26.636 1.00 0.00 H new ATOM 0 HA ILE A 71 9.636 8.701 -23.933 1.00 0.00 H new ATOM 0 HB ILE A 71 7.707 7.214 -23.328 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.804 5.670 -25.276 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.200 6.267 -24.897 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.968 8.773 -24.221 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.406 9.636 -23.625 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.163 9.414 -25.374 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.544 6.153 -27.312 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.323 7.842 -26.797 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.951 7.235 -27.182 1.00 0.00 H new ATOM 1073 N SER A 72 10.551 6.579 -22.925 1.00 0.00 N ATOM 1074 CA SER A 72 11.320 5.476 -22.351 1.00 0.00 C ATOM 1075 C SER A 72 10.994 5.355 -20.856 1.00 0.00 C ATOM 1076 O SER A 72 10.331 6.226 -20.277 1.00 0.00 O ATOM 1077 CB SER A 72 12.838 5.709 -22.560 1.00 0.00 C ATOM 1078 OG SER A 72 13.178 5.815 -23.941 1.00 0.00 O ATOM 0 H SER A 72 10.356 7.324 -22.256 1.00 0.00 H new ATOM 0 HA SER A 72 11.049 4.547 -22.853 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.140 6.619 -22.042 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.396 4.887 -22.112 1.00 0.00 H new ATOM 0 HG SER A 72 14.143 5.963 -24.030 1.00 0.00 H new ATOM 1084 N ARG A 73 11.455 4.259 -20.253 1.00 0.00 N ATOM 1085 CA ARG A 73 11.301 3.989 -18.821 1.00 0.00 C ATOM 1086 C ARG A 73 12.519 3.198 -18.353 1.00 0.00 C ATOM 1087 O ARG A 73 12.911 2.219 -18.999 1.00 0.00 O ATOM 1088 CB ARG A 73 9.993 3.199 -18.564 1.00 0.00 C ATOM 1089 CG ARG A 73 9.762 2.728 -17.110 1.00 0.00 C ATOM 1090 CD ARG A 73 8.447 1.942 -16.952 1.00 0.00 C ATOM 1091 NE ARG A 73 8.255 1.478 -15.566 1.00 0.00 N ATOM 1092 CZ ARG A 73 7.168 0.848 -15.098 1.00 0.00 C ATOM 1093 NH1 ARG A 73 6.149 0.543 -15.899 1.00 0.00 N ATOM 1094 NH2 ARG A 73 7.118 0.501 -13.822 1.00 0.00 N ATOM 0 H ARG A 73 11.953 3.522 -20.752 1.00 0.00 H new ATOM 0 HA ARG A 73 11.235 4.923 -18.263 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.150 3.823 -18.861 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.986 2.324 -19.214 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.597 2.102 -16.796 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.747 3.594 -16.448 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.608 2.573 -17.244 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.451 1.085 -17.626 1.00 0.00 H new ATOM 0 HE ARG A 73 9.014 1.651 -14.907 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.187 0.789 -16.888 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.331 0.063 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.902 0.713 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.296 0.021 -13.456 1.00 0.00 H new ATOM 1108 N ASP A 74 13.120 3.642 -17.245 1.00 0.00 N ATOM 1109 CA ASP A 74 14.276 2.985 -16.631 1.00 0.00 C ATOM 1110 C ASP A 74 13.939 2.617 -15.184 1.00 0.00 C ATOM 1111 O ASP A 74 13.875 3.489 -14.310 1.00 0.00 O ATOM 1112 CB ASP A 74 15.524 3.900 -16.677 1.00 0.00 C ATOM 1113 CG ASP A 74 15.962 4.275 -18.105 1.00 0.00 C ATOM 1114 OD1 ASP A 74 15.856 5.460 -18.493 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.415 3.379 -18.846 1.00 0.00 O ATOM 0 H ASP A 74 12.814 4.476 -16.745 1.00 0.00 H new ATOM 0 HA ASP A 74 14.506 2.080 -17.193 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.316 4.813 -16.119 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.350 3.399 -16.172 1.00 0.00 H new ATOM 1120 N ASN A 75 13.720 1.318 -14.948 1.00 0.00 N ATOM 1121 CA ASN A 75 13.443 0.764 -13.609 1.00 0.00 C ATOM 1122 C ASN A 75 14.723 0.764 -12.737 1.00 0.00 C ATOM 1123 O ASN A 75 14.651 0.521 -11.534 1.00 0.00 O ATOM 1124 CB ASN A 75 12.858 -0.670 -13.735 1.00 0.00 C ATOM 1125 CG ASN A 75 11.529 -0.731 -14.513 1.00 0.00 C ATOM 1126 OD1 ASN A 75 10.729 0.213 -14.503 1.00 0.00 O ATOM 1127 ND2 ASN A 75 11.280 -1.851 -15.185 1.00 0.00 N ATOM 0 H ASN A 75 13.729 0.612 -15.685 1.00 0.00 H new ATOM 0 HA ASN A 75 12.705 1.397 -13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.589 -1.309 -14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.703 -1.079 -12.736 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.411 -1.948 -15.710 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.958 -2.613 -15.175 1.00 0.00 H new ATOM 1134 N ALA A 76 15.894 1.019 -13.376 1.00 0.00 N ATOM 1135 CA ALA A 76 17.208 1.138 -12.701 1.00 0.00 C ATOM 1136 C ALA A 76 17.192 2.216 -11.598 1.00 0.00 C ATOM 1137 O ALA A 76 17.696 1.991 -10.490 1.00 0.00 O ATOM 1138 CB ALA A 76 18.305 1.436 -13.739 1.00 0.00 C ATOM 0 H ALA A 76 15.950 1.149 -14.386 1.00 0.00 H new ATOM 0 HA ALA A 76 17.424 0.186 -12.215 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.268 1.522 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.347 0.626 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.078 2.371 -14.250 1.00 0.00 H new ATOM 1144 N LYS A 77 16.592 3.383 -11.906 1.00 0.00 N ATOM 1145 CA LYS A 77 16.413 4.481 -10.925 1.00 0.00 C ATOM 1146 C LYS A 77 14.924 4.783 -10.686 1.00 0.00 C ATOM 1147 O LYS A 77 14.603 5.737 -9.971 1.00 0.00 O ATOM 1148 CB LYS A 77 17.189 5.775 -11.342 1.00 0.00 C ATOM 1149 CG LYS A 77 16.921 6.332 -12.768 1.00 0.00 C ATOM 1150 CD LYS A 77 17.754 5.618 -13.864 1.00 0.00 C ATOM 1151 CE LYS A 77 17.620 6.278 -15.244 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.095 7.684 -15.254 1.00 0.00 N ATOM 0 H LYS A 77 16.220 3.594 -12.832 1.00 0.00 H new ATOM 0 HA LYS A 77 16.842 4.137 -9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.952 6.559 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.256 5.573 -11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.861 6.228 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.147 7.398 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.804 5.613 -13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.438 4.577 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.188 5.702 -15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.576 6.249 -15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 18.816 7.802 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.295 8.319 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.508 7.918 -14.328 1.00 0.00 H new ATOM 1166 N ASN A 78 14.036 3.924 -11.249 1.00 0.00 N ATOM 1167 CA ASN A 78 12.561 4.068 -11.167 1.00 0.00 C ATOM 1168 C ASN A 78 12.122 5.457 -11.645 1.00 0.00 C ATOM 1169 O ASN A 78 11.698 6.293 -10.844 1.00 0.00 O ATOM 1170 CB ASN A 78 12.012 3.774 -9.735 1.00 0.00 C ATOM 1171 CG ASN A 78 12.122 2.313 -9.302 1.00 0.00 C ATOM 1172 OD1 ASN A 78 13.032 1.594 -9.691 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.194 1.861 -8.481 1.00 0.00 N ATOM 0 H ASN A 78 14.328 3.103 -11.779 1.00 0.00 H new ATOM 0 HA ASN A 78 12.131 3.318 -11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.551 4.394 -9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.965 4.075 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.226 0.894 -8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.444 2.478 -8.169 1.00 0.00 H new ATOM 1180 N THR A 79 12.299 5.719 -12.942 1.00 0.00 N ATOM 1181 CA THR A 79 11.903 6.993 -13.550 1.00 0.00 C ATOM 1182 C THR A 79 11.486 6.776 -15.023 1.00 0.00 C ATOM 1183 O THR A 79 12.185 6.099 -15.782 1.00 0.00 O ATOM 1184 CB THR A 79 13.060 8.057 -13.464 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.611 8.101 -12.134 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.564 9.469 -13.837 1.00 0.00 C ATOM 0 H THR A 79 12.718 5.059 -13.597 1.00 0.00 H new ATOM 0 HA THR A 79 11.051 7.379 -12.990 1.00 0.00 H new ATOM 0 HB THR A 79 13.826 7.750 -14.176 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.330 8.766 -12.099 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.391 10.176 -13.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.179 9.462 -14.857 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.771 9.769 -13.152 1.00 0.00 H new ATOM 1194 N VAL A 80 10.338 7.356 -15.399 1.00 0.00 N ATOM 1195 CA VAL A 80 9.797 7.327 -16.771 1.00 0.00 C ATOM 1196 C VAL A 80 10.053 8.698 -17.413 1.00 0.00 C ATOM 1197 O VAL A 80 9.853 9.723 -16.763 1.00 0.00 O ATOM 1198 CB VAL A 80 8.249 7.027 -16.762 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.696 6.793 -18.191 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.919 5.835 -15.831 1.00 0.00 C ATOM 0 H VAL A 80 9.745 7.870 -14.747 1.00 0.00 H new ATOM 0 HA VAL A 80 10.288 6.536 -17.338 1.00 0.00 H new ATOM 0 HB VAL A 80 7.750 7.912 -16.367 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.626 6.590 -18.138 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.867 7.682 -18.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.205 5.942 -18.643 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.845 5.650 -15.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.445 4.946 -16.178 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.235 6.069 -14.814 1.00 0.00 H new ATOM 1210 N TYR A 81 10.506 8.728 -18.674 1.00 0.00 N ATOM 1211 CA TYR A 81 10.895 9.985 -19.346 1.00 0.00 C ATOM 1212 C TYR A 81 10.023 10.251 -20.582 1.00 0.00 C ATOM 1213 O TYR A 81 9.607 9.317 -21.282 1.00 0.00 O ATOM 1214 CB TYR A 81 12.396 9.955 -19.734 1.00 0.00 C ATOM 1215 CG TYR A 81 13.337 9.718 -18.545 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.806 10.789 -17.784 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.737 8.432 -18.173 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.634 10.588 -16.701 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.572 8.229 -17.091 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.015 9.312 -16.359 1.00 0.00 C ATOM 1221 OH TYR A 81 15.823 9.118 -15.260 1.00 0.00 O ATOM 0 H TYR A 81 10.614 7.896 -19.254 1.00 0.00 H new ATOM 0 HA TYR A 81 10.734 10.802 -18.642 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.555 9.170 -20.474 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.658 10.900 -20.210 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.515 11.795 -18.049 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.388 7.582 -18.741 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.983 11.431 -16.122 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.876 7.229 -16.820 1.00 0.00 H new ATOM 0 HH TYR A 81 15.316 9.310 -14.443 1.00 0.00 H new ATOM 1231 N LEU A 82 9.769 11.548 -20.829 1.00 0.00 N ATOM 1232 CA LEU A 82 9.004 12.046 -21.981 1.00 0.00 C ATOM 1233 C LEU A 82 9.847 13.124 -22.684 1.00 0.00 C ATOM 1234 O LEU A 82 9.908 14.271 -22.236 1.00 0.00 O ATOM 1235 CB LEU A 82 7.649 12.621 -21.481 1.00 0.00 C ATOM 1236 CG LEU A 82 6.717 13.301 -22.530 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.221 12.312 -23.602 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.536 14.011 -21.836 1.00 0.00 C ATOM 0 H LEU A 82 10.099 12.295 -20.218 1.00 0.00 H new ATOM 0 HA LEU A 82 8.789 11.246 -22.690 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.092 11.808 -21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.862 13.350 -20.700 1.00 0.00 H new ATOM 0 HG LEU A 82 7.312 14.052 -23.049 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.576 12.834 -24.308 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.075 11.892 -24.133 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.660 11.509 -23.124 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.900 14.478 -22.588 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.955 13.282 -21.271 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.918 14.775 -21.159 1.00 0.00 H new ATOM 1250 N GLN A 83 10.530 12.728 -23.759 1.00 0.00 N ATOM 1251 CA GLN A 83 11.390 13.622 -24.545 1.00 0.00 C ATOM 1252 C GLN A 83 10.576 14.212 -25.709 1.00 0.00 C ATOM 1253 O GLN A 83 10.358 13.548 -26.719 1.00 0.00 O ATOM 1254 CB GLN A 83 12.629 12.832 -25.062 1.00 0.00 C ATOM 1255 CG GLN A 83 13.667 13.668 -25.838 1.00 0.00 C ATOM 1256 CD GLN A 83 14.247 14.819 -25.011 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.231 14.640 -24.293 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.657 16.007 -25.121 1.00 0.00 N ATOM 0 H GLN A 83 10.504 11.772 -24.113 1.00 0.00 H new ATOM 0 HA GLN A 83 11.748 14.443 -23.924 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.125 12.368 -24.210 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.281 12.025 -25.707 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.478 13.018 -26.165 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.201 14.072 -26.737 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.843 16.118 -25.726 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.019 16.806 -24.601 1.00 0.00 H new ATOM 1267 N MET A 84 10.108 15.458 -25.546 1.00 0.00 N ATOM 1268 CA MET A 84 9.272 16.137 -26.552 1.00 0.00 C ATOM 1269 C MET A 84 10.102 17.175 -27.311 1.00 0.00 C ATOM 1270 O MET A 84 10.413 18.242 -26.777 1.00 0.00 O ATOM 1271 CB MET A 84 8.049 16.806 -25.880 1.00 0.00 C ATOM 1272 CG MET A 84 7.127 15.857 -25.117 1.00 0.00 C ATOM 1273 SD MET A 84 5.564 16.630 -24.632 1.00 0.00 S ATOM 1274 CE MET A 84 6.091 18.049 -23.664 1.00 0.00 C ATOM 0 H MET A 84 10.296 16.023 -24.718 1.00 0.00 H new ATOM 0 HA MET A 84 8.907 15.394 -27.262 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.406 17.572 -25.191 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.466 17.315 -26.648 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.918 14.985 -25.737 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.641 15.498 -24.225 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.502 18.104 -22.749 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.146 17.945 -23.410 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.946 18.960 -24.245 1.00 0.00 H new ATOM 1284 N ASN A 85 10.493 16.829 -28.545 1.00 0.00 N ATOM 1285 CA ASN A 85 11.250 17.725 -29.446 1.00 0.00 C ATOM 1286 C ASN A 85 10.303 18.311 -30.504 1.00 0.00 C ATOM 1287 O ASN A 85 9.277 17.693 -30.827 1.00 0.00 O ATOM 1288 CB ASN A 85 12.422 16.954 -30.114 1.00 0.00 C ATOM 1289 CG ASN A 85 13.479 16.460 -29.110 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.183 16.199 -27.943 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.720 16.329 -29.554 1.00 0.00 N ATOM 0 H ASN A 85 10.295 15.916 -28.954 1.00 0.00 H new ATOM 0 HA ASN A 85 11.675 18.544 -28.867 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.021 16.099 -30.659 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.903 17.602 -30.847 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.455 16.006 -28.925 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.940 16.551 -30.525 1.00 0.00 H new ATOM 1298 N SER A 86 10.657 19.510 -31.021 1.00 0.00 N ATOM 1299 CA SER A 86 9.846 20.264 -32.003 1.00 0.00 C ATOM 1300 C SER A 86 8.437 20.557 -31.438 1.00 0.00 C ATOM 1301 O SER A 86 7.408 20.306 -32.085 1.00 0.00 O ATOM 1302 CB SER A 86 9.809 19.525 -33.367 1.00 0.00 C ATOM 1303 OG SER A 86 9.081 20.249 -34.354 1.00 0.00 O ATOM 0 H SER A 86 11.522 19.985 -30.765 1.00 0.00 H new ATOM 0 HA SER A 86 10.316 21.230 -32.185 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.828 19.362 -33.717 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.357 18.542 -33.233 1.00 0.00 H new ATOM 0 HG SER A 86 8.209 20.510 -33.991 1.00 0.00 H new ATOM 1309 N LEU A 87 8.425 21.076 -30.200 1.00 0.00 N ATOM 1310 CA LEU A 87 7.197 21.471 -29.492 1.00 0.00 C ATOM 1311 C LEU A 87 6.555 22.701 -30.144 1.00 0.00 C ATOM 1312 O LEU A 87 7.233 23.677 -30.442 1.00 0.00 O ATOM 1313 CB LEU A 87 7.500 21.741 -27.993 1.00 0.00 C ATOM 1314 CG LEU A 87 7.597 20.475 -27.095 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.059 20.822 -25.665 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.243 19.725 -27.082 1.00 0.00 C ATOM 0 H LEU A 87 9.274 21.235 -29.658 1.00 0.00 H new ATOM 0 HA LEU A 87 6.486 20.647 -29.560 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.440 22.289 -27.922 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.721 22.391 -27.593 1.00 0.00 H new ATOM 0 HG LEU A 87 8.354 19.816 -27.520 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.114 19.911 -25.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.043 21.290 -25.704 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.347 21.511 -25.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.323 18.840 -26.450 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.467 20.382 -26.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.984 19.424 -28.097 1.00 0.00 H new ATOM 1328 N LYS A 88 5.241 22.627 -30.348 1.00 0.00 N ATOM 1329 CA LYS A 88 4.439 23.702 -30.943 1.00 0.00 C ATOM 1330 C LYS A 88 3.885 24.596 -29.820 1.00 0.00 C ATOM 1331 O LYS A 88 3.752 24.121 -28.690 1.00 0.00 O ATOM 1332 CB LYS A 88 3.283 23.063 -31.743 1.00 0.00 C ATOM 1333 CG LYS A 88 3.726 22.059 -32.829 1.00 0.00 C ATOM 1334 CD LYS A 88 2.538 21.229 -33.352 1.00 0.00 C ATOM 1335 CE LYS A 88 1.928 20.322 -32.262 1.00 0.00 C ATOM 1336 NZ LYS A 88 0.668 19.698 -32.712 1.00 0.00 N ATOM 0 H LYS A 88 4.691 21.804 -30.101 1.00 0.00 H new ATOM 0 HA LYS A 88 5.047 24.313 -31.610 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.616 22.554 -31.047 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.705 23.857 -32.216 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.187 22.598 -33.657 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.485 21.392 -32.421 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.769 21.901 -33.734 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.869 20.614 -34.189 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.643 19.545 -31.993 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.742 20.909 -31.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.526 18.799 -32.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.127 20.337 -32.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.716 19.517 -33.735 1.00 0.00 H new ATOM 1350 N PRO A 89 3.518 25.889 -30.104 1.00 0.00 N ATOM 1351 CA PRO A 89 2.990 26.808 -29.061 1.00 0.00 C ATOM 1352 C PRO A 89 1.673 26.288 -28.417 1.00 0.00 C ATOM 1353 O PRO A 89 1.344 26.638 -27.277 1.00 0.00 O ATOM 1354 CB PRO A 89 2.768 28.136 -29.833 1.00 0.00 C ATOM 1355 CG PRO A 89 2.655 27.735 -31.273 1.00 0.00 C ATOM 1356 CD PRO A 89 3.581 26.557 -31.435 1.00 0.00 C ATOM 0 HA PRO A 89 3.672 26.912 -28.217 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.865 28.644 -29.493 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.598 28.825 -29.679 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.630 27.466 -31.527 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.942 28.554 -31.932 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.252 25.893 -32.235 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.595 26.873 -31.680 1.00 0.00 H new ATOM 1364 N GLU A 90 0.946 25.428 -29.164 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.325 24.807 -28.722 1.00 0.00 C ATOM 1366 C GLU A 90 -0.105 23.714 -27.650 1.00 0.00 C ATOM 1367 O GLU A 90 -1.069 23.270 -27.012 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.077 24.229 -29.946 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.281 23.175 -30.745 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.956 22.757 -32.062 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.494 21.631 -32.156 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.933 23.557 -33.025 1.00 0.00 O ATOM 0 H GLU A 90 1.227 25.142 -30.102 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.930 25.585 -28.256 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.010 23.780 -29.605 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.343 25.048 -30.614 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.710 23.571 -30.965 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.140 22.291 -30.123 1.00 0.00 H new ATOM 1379 N ASP A 91 1.166 23.307 -27.439 1.00 0.00 N ATOM 1380 CA ASP A 91 1.561 22.378 -26.354 1.00 0.00 C ATOM 1381 C ASP A 91 1.791 23.150 -25.030 1.00 0.00 C ATOM 1382 O ASP A 91 2.658 22.798 -24.225 1.00 0.00 O ATOM 1383 CB ASP A 91 2.826 21.568 -26.767 1.00 0.00 C ATOM 1384 CG ASP A 91 2.591 20.639 -27.978 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.998 20.989 -29.105 1.00 0.00 O ATOM 1386 OD2 ASP A 91 1.990 19.554 -27.801 1.00 0.00 O ATOM 0 H ASP A 91 1.949 23.613 -28.016 1.00 0.00 H new ATOM 0 HA ASP A 91 0.749 21.670 -26.187 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.632 22.263 -27.002 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.158 20.970 -25.919 1.00 0.00 H new ATOM 1391 N THR A 92 1.014 24.230 -24.819 1.00 0.00 N ATOM 1392 CA THR A 92 0.868 24.863 -23.509 1.00 0.00 C ATOM 1393 C THR A 92 -0.286 24.162 -22.764 1.00 0.00 C ATOM 1394 O THR A 92 -1.462 24.442 -23.022 1.00 0.00 O ATOM 1395 CB THR A 92 0.595 26.397 -23.642 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.712 27.027 -24.296 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.347 27.068 -22.275 1.00 0.00 C ATOM 0 H THR A 92 0.473 24.682 -25.556 1.00 0.00 H new ATOM 0 HA THR A 92 1.796 24.758 -22.948 1.00 0.00 H new ATOM 0 HB THR A 92 -0.311 26.521 -24.235 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.627 26.919 -25.266 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.162 28.132 -22.420 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.520 26.611 -21.797 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.223 26.935 -21.640 1.00 0.00 H new ATOM 1405 N ALA A 93 0.072 23.220 -21.884 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.891 22.374 -21.156 1.00 0.00 C ATOM 1407 C ALA A 93 -0.193 21.734 -19.948 1.00 0.00 C ATOM 1408 O ALA A 93 0.899 22.157 -19.556 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.472 21.301 -22.109 1.00 0.00 C ATOM 0 H ALA A 93 1.045 23.019 -21.653 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.720 22.981 -20.791 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.183 20.679 -21.566 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.979 21.790 -22.941 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.663 20.678 -22.492 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.828 20.730 -19.335 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.195 19.918 -18.296 1.00 0.00 C ATOM 1417 C VAL A 94 -0.107 18.466 -18.787 1.00 0.00 C ATOM 1418 O VAL A 94 -1.119 17.782 -18.941 1.00 0.00 O ATOM 1419 CB VAL A 94 -0.940 20.043 -16.907 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.460 19.761 -17.005 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.267 19.163 -15.824 1.00 0.00 C ATOM 0 H VAL A 94 -1.789 20.460 -19.545 1.00 0.00 H new ATOM 0 HA VAL A 94 0.814 20.289 -18.115 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.845 21.085 -16.602 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.913 19.863 -16.019 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.919 20.473 -17.691 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.619 18.748 -17.375 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.804 19.272 -14.881 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.291 18.119 -16.137 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.768 19.478 -15.691 1.00 0.00 H new ATOM 1431 N TYR A 95 1.119 18.017 -19.082 1.00 0.00 N ATOM 1432 CA TYR A 95 1.393 16.618 -19.418 1.00 0.00 C ATOM 1433 C TYR A 95 1.527 15.854 -18.104 1.00 0.00 C ATOM 1434 O TYR A 95 2.213 16.311 -17.195 1.00 0.00 O ATOM 1435 CB TYR A 95 2.684 16.484 -20.275 1.00 0.00 C ATOM 1436 CG TYR A 95 2.485 16.735 -21.784 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.535 15.686 -22.709 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.252 18.016 -22.280 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.366 15.911 -24.062 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.079 18.245 -23.637 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.143 17.188 -24.522 1.00 0.00 C ATOM 1442 OH TYR A 95 1.963 17.403 -25.871 1.00 0.00 O ATOM 0 H TYR A 95 1.946 18.613 -19.094 1.00 0.00 H new ATOM 0 HA TYR A 95 0.580 16.208 -20.018 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.428 17.186 -19.899 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.093 15.483 -20.138 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.709 14.680 -22.358 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.205 18.848 -21.593 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.409 15.086 -24.757 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.895 19.246 -23.999 1.00 0.00 H new ATOM 0 HH TYR A 95 2.062 18.358 -26.066 1.00 0.00 H new ATOM 1452 N LEU A 96 0.834 14.718 -17.998 1.00 0.00 N ATOM 1453 CA LEU A 96 0.752 13.943 -16.757 1.00 0.00 C ATOM 1454 C LEU A 96 0.971 12.451 -17.039 1.00 0.00 C ATOM 1455 O LEU A 96 0.537 11.931 -18.069 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.591 14.259 -16.027 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.915 14.243 -16.880 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.494 12.825 -17.037 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.974 15.207 -16.291 1.00 0.00 C ATOM 0 H LEU A 96 0.312 14.308 -18.773 1.00 0.00 H new ATOM 0 HA LEU A 96 1.552 14.235 -16.076 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.707 13.541 -15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.499 15.244 -15.570 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.648 14.594 -17.877 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.406 12.868 -17.633 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.764 12.187 -17.536 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.722 12.414 -16.053 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.876 15.173 -16.902 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.214 14.905 -15.272 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.578 16.222 -16.284 1.00 0.00 H new ATOM 1471 N CYS A 97 1.655 11.782 -16.110 1.00 0.00 N ATOM 1472 CA CYS A 97 2.038 10.377 -16.237 1.00 0.00 C ATOM 1473 C CYS A 97 0.929 9.487 -15.678 1.00 0.00 C ATOM 1474 O CYS A 97 0.103 9.934 -14.873 1.00 0.00 O ATOM 1475 CB CYS A 97 3.364 10.121 -15.489 1.00 0.00 C ATOM 1476 SG CYS A 97 4.012 8.443 -15.670 1.00 0.00 S ATOM 0 H CYS A 97 1.963 12.208 -15.236 1.00 0.00 H new ATOM 0 HA CYS A 97 2.183 10.138 -17.291 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.112 10.827 -15.849 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.215 10.327 -14.429 1.00 0.00 H new ATOM 0 HG CYS A 97 3.607 7.941 -16.798 1.00 0.00 H new ATOM 1482 N ALA A 98 0.920 8.235 -16.118 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.084 7.243 -15.738 1.00 0.00 C ATOM 1484 C ALA A 98 0.617 5.966 -15.284 1.00 0.00 C ATOM 1485 O ALA A 98 1.736 5.683 -15.716 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.008 6.947 -16.924 1.00 0.00 C ATOM 0 H ALA A 98 1.623 7.871 -16.761 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.688 7.634 -14.919 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.752 6.207 -16.630 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.510 7.864 -17.232 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.420 6.559 -17.756 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.050 5.219 -14.411 1.00 0.00 N ATOM 1493 CA ALA A 99 0.370 3.889 -13.980 1.00 0.00 C ATOM 1494 C ALA A 99 -0.722 2.899 -14.391 1.00 0.00 C ATOM 1495 O ALA A 99 -1.875 3.029 -13.956 1.00 0.00 O ATOM 1496 CB ALA A 99 0.605 3.867 -12.466 1.00 0.00 C ATOM 0 H ALA A 99 -0.918 5.528 -13.973 1.00 0.00 H new ATOM 0 HA ALA A 99 1.313 3.611 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.918 2.868 -12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.383 4.585 -12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.318 4.132 -11.951 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.347 1.913 -15.216 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.288 0.981 -15.816 1.00 0.00 C ATOM 1504 C GLY A 100 -1.042 -0.442 -15.361 1.00 0.00 C ATOM 1505 O GLY A 100 0.111 -0.851 -15.136 1.00 0.00 O ATOM 0 H GLY A 100 0.623 1.745 -15.482 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.305 1.274 -15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.209 1.034 -16.902 1.00 0.00 H new ATOM 1509 N VAL A 101 -2.141 -1.196 -15.261 1.00 0.00 N ATOM 1510 CA VAL A 101 -2.169 -2.568 -14.745 1.00 0.00 C ATOM 1511 C VAL A 101 -3.071 -3.422 -15.645 1.00 0.00 C ATOM 1512 O VAL A 101 -4.111 -2.943 -16.126 1.00 0.00 O ATOM 1513 CB VAL A 101 -2.677 -2.636 -13.240 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -1.649 -1.989 -12.266 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -4.084 -1.986 -13.074 1.00 0.00 C ATOM 0 H VAL A 101 -3.061 -0.859 -15.545 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.150 -2.954 -14.754 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.770 -3.691 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.026 -2.052 -11.245 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.699 -2.519 -12.335 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.502 -0.943 -12.535 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.395 -2.053 -12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.038 -0.939 -13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.804 -2.511 -13.702 1.00 0.00 H new ATOM 1525 N TRP A 102 -2.639 -4.669 -15.900 1.00 0.00 N ATOM 1526 CA TRP A 102 -3.440 -5.658 -16.632 1.00 0.00 C ATOM 1527 C TRP A 102 -4.714 -5.970 -15.837 1.00 0.00 C ATOM 1528 O TRP A 102 -4.647 -6.449 -14.697 1.00 0.00 O ATOM 1529 CB TRP A 102 -2.621 -6.945 -16.888 1.00 0.00 C ATOM 1530 CG TRP A 102 -3.417 -8.077 -17.514 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -3.820 -8.190 -18.817 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -3.909 -9.249 -16.842 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -4.521 -9.355 -18.992 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -4.590 -10.022 -17.794 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -3.829 -9.712 -15.523 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -5.191 -11.234 -17.473 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -4.428 -10.914 -15.204 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -5.102 -11.665 -16.177 1.00 0.00 C ATOM 0 H TRP A 102 -1.727 -5.016 -15.604 1.00 0.00 H new ATOM 0 HA TRP A 102 -3.718 -5.246 -17.602 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -1.781 -6.704 -17.539 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -2.203 -7.290 -15.942 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -3.616 -7.468 -19.593 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.926 -9.675 -19.872 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.309 -9.140 -14.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.710 -11.815 -18.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.377 -11.281 -14.190 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -5.560 -12.602 -15.898 1.00 0.00 H new ATOM 1549 N ARG A 103 -5.859 -5.655 -16.445 1.00 0.00 N ATOM 1550 CA ARG A 103 -7.180 -5.862 -15.844 1.00 0.00 C ATOM 1551 C ARG A 103 -7.824 -7.126 -16.463 1.00 0.00 C ATOM 1552 O ARG A 103 -7.516 -7.497 -17.606 1.00 0.00 O ATOM 1553 CB ARG A 103 -8.065 -4.579 -16.062 1.00 0.00 C ATOM 1554 CG ARG A 103 -8.910 -4.129 -14.839 1.00 0.00 C ATOM 1555 CD ARG A 103 -10.065 -5.083 -14.503 1.00 0.00 C ATOM 1556 NE ARG A 103 -10.813 -4.640 -13.317 1.00 0.00 N ATOM 1557 CZ ARG A 103 -11.860 -5.272 -12.778 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -12.362 -6.370 -13.323 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -12.422 -4.779 -11.694 1.00 0.00 N ATOM 0 H ARG A 103 -5.897 -5.245 -17.378 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.092 -6.020 -14.769 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.413 -3.755 -16.353 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.739 -4.763 -16.899 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.258 -4.042 -13.970 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.315 -3.136 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -10.741 -5.149 -15.355 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.671 -6.084 -14.331 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.507 -3.777 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.949 -6.752 -14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.162 -6.834 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.058 -3.924 -11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.222 -5.253 -11.274 1.00 0.00 H new ATOM 1573 N SER A 104 -8.719 -7.774 -15.698 1.00 0.00 N ATOM 1574 CA SER A 104 -9.515 -8.932 -16.158 1.00 0.00 C ATOM 1575 C SER A 104 -10.513 -8.542 -17.277 1.00 0.00 C ATOM 1576 O SER A 104 -11.100 -9.412 -17.934 1.00 0.00 O ATOM 1577 CB SER A 104 -10.254 -9.535 -14.954 1.00 0.00 C ATOM 1578 OG SER A 104 -11.040 -8.567 -14.285 1.00 0.00 O ATOM 0 H SER A 104 -8.914 -7.508 -14.733 1.00 0.00 H new ATOM 0 HA SER A 104 -8.839 -9.672 -16.587 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.892 -10.353 -15.290 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.531 -9.960 -14.259 1.00 0.00 H new ATOM 0 HG SER A 104 -11.497 -8.985 -13.526 1.00 0.00 H new ATOM 1584 N SER A 105 -10.709 -7.226 -17.464 1.00 0.00 N ATOM 1585 CA SER A 105 -11.485 -6.666 -18.581 1.00 0.00 C ATOM 1586 C SER A 105 -10.773 -6.911 -19.930 1.00 0.00 C ATOM 1587 O SER A 105 -11.415 -6.951 -20.986 1.00 0.00 O ATOM 1588 CB SER A 105 -11.686 -5.161 -18.339 1.00 0.00 C ATOM 1589 OG SER A 105 -12.294 -4.939 -17.078 1.00 0.00 O ATOM 0 H SER A 105 -10.330 -6.516 -16.838 1.00 0.00 H new ATOM 0 HA SER A 105 -12.454 -7.163 -18.630 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.725 -4.648 -18.382 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.308 -4.739 -19.129 1.00 0.00 H new ATOM 0 HG SER A 105 -12.414 -3.977 -16.938 1.00 0.00 H new ATOM 1595 N GLY A 106 -9.443 -7.086 -19.872 1.00 0.00 N ATOM 1596 CA GLY A 106 -8.614 -7.386 -21.050 1.00 0.00 C ATOM 1597 C GLY A 106 -7.712 -6.221 -21.441 1.00 0.00 C ATOM 1598 O GLY A 106 -6.615 -6.422 -21.977 1.00 0.00 O ATOM 0 H GLY A 106 -8.911 -7.023 -19.004 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.001 -8.263 -20.845 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.260 -7.639 -21.890 1.00 0.00 H new ATOM 1602 N TRP A 107 -8.179 -4.995 -21.162 1.00 0.00 N ATOM 1603 CA TRP A 107 -7.409 -3.762 -21.418 1.00 0.00 C ATOM 1604 C TRP A 107 -6.455 -3.495 -20.256 1.00 0.00 C ATOM 1605 O TRP A 107 -6.768 -3.815 -19.102 1.00 0.00 O ATOM 1606 CB TRP A 107 -8.357 -2.546 -21.614 1.00 0.00 C ATOM 1607 CG TRP A 107 -9.298 -2.682 -22.790 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -9.034 -2.391 -24.102 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -10.658 -3.139 -22.752 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -10.137 -2.649 -24.872 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -11.146 -3.105 -24.068 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -11.506 -3.575 -21.728 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -12.444 -3.491 -24.389 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -12.793 -3.958 -22.046 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -13.252 -3.915 -23.368 1.00 0.00 C ATOM 0 H TRP A 107 -9.098 -4.827 -20.753 1.00 0.00 H new ATOM 0 HA TRP A 107 -6.835 -3.900 -22.334 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.944 -2.406 -20.706 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.755 -1.647 -21.746 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.093 -2.013 -24.475 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -10.197 -2.522 -25.882 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -11.159 -3.611 -20.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.801 -3.457 -25.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -13.456 -4.296 -21.263 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -14.264 -4.222 -23.587 1.00 0.00 H new ATOM 1626 N ASP A 108 -5.287 -2.923 -20.577 1.00 0.00 N ATOM 1627 CA ASP A 108 -4.314 -2.499 -19.570 1.00 0.00 C ATOM 1628 C ASP A 108 -4.729 -1.109 -19.072 1.00 0.00 C ATOM 1629 O ASP A 108 -4.395 -0.089 -19.688 1.00 0.00 O ATOM 1630 CB ASP A 108 -2.873 -2.483 -20.146 1.00 0.00 C ATOM 1631 CG ASP A 108 -1.816 -2.633 -19.048 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -1.321 -1.621 -18.518 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -1.494 -3.787 -18.702 1.00 0.00 O ATOM 0 H ASP A 108 -4.994 -2.743 -21.537 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.306 -3.206 -18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.762 -3.291 -20.869 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.708 -1.549 -20.684 1.00 0.00 H new ATOM 1638 N THR A 109 -5.514 -1.094 -17.996 1.00 0.00 N ATOM 1639 CA THR A 109 -6.171 0.114 -17.501 1.00 0.00 C ATOM 1640 C THR A 109 -5.175 1.017 -16.739 1.00 0.00 C ATOM 1641 O THR A 109 -4.573 0.563 -15.755 1.00 0.00 O ATOM 1642 CB THR A 109 -7.385 -0.278 -16.595 1.00 0.00 C ATOM 1643 OG1 THR A 109 -6.969 -1.204 -15.569 1.00 0.00 O ATOM 1644 CG2 THR A 109 -8.524 -0.913 -17.418 1.00 0.00 C ATOM 0 H THR A 109 -5.713 -1.925 -17.440 1.00 0.00 H new ATOM 0 HA THR A 109 -6.540 0.686 -18.352 1.00 0.00 H new ATOM 0 HB THR A 109 -7.756 0.638 -16.136 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.079 -0.954 -15.245 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.350 -1.173 -16.756 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.870 -0.203 -18.169 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.158 -1.813 -17.912 1.00 0.00 H new ATOM 1652 N PRO A 110 -4.967 2.312 -17.186 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.112 3.276 -16.479 1.00 0.00 C ATOM 1654 C PRO A 110 -4.869 3.829 -15.262 1.00 0.00 C ATOM 1655 O PRO A 110 -5.339 4.963 -15.271 1.00 0.00 O ATOM 1656 CB PRO A 110 -3.788 4.367 -17.549 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.532 3.964 -18.800 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.566 2.939 -18.389 1.00 0.00 C ATOM 0 HA PRO A 110 -3.191 2.849 -16.082 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.105 5.353 -17.208 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -2.715 4.423 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.009 4.829 -19.261 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.847 3.546 -19.538 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.526 3.404 -18.164 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.743 2.208 -19.178 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.011 2.973 -14.237 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.900 3.214 -13.078 1.00 0.00 C ATOM 1668 C ASP A 111 -5.474 4.459 -12.286 1.00 0.00 C ATOM 1669 O ASP A 111 -6.318 5.217 -11.792 1.00 0.00 O ATOM 1670 CB ASP A 111 -5.923 1.961 -12.162 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.979 2.044 -11.039 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.645 2.446 -9.907 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -8.158 1.705 -11.290 1.00 0.00 O ATOM 0 H ASP A 111 -4.510 2.086 -14.185 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.906 3.400 -13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.119 1.078 -12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.938 1.828 -11.715 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.158 4.673 -12.208 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.560 5.777 -11.442 1.00 0.00 C ATOM 1680 C TYR A 112 -2.925 6.792 -12.391 1.00 0.00 C ATOM 1681 O TYR A 112 -2.549 6.459 -13.516 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.499 5.220 -10.455 1.00 0.00 C ATOM 1683 CG TYR A 112 -3.066 4.165 -9.500 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.830 2.800 -9.694 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -3.856 4.540 -8.414 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.374 1.853 -8.845 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -4.394 3.600 -7.564 1.00 0.00 C ATOM 1688 CZ TYR A 112 -4.151 2.260 -7.777 1.00 0.00 C ATOM 1689 OH TYR A 112 -4.706 1.328 -6.923 1.00 0.00 O ATOM 0 H TYR A 112 -3.470 4.083 -12.677 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.341 6.279 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.677 4.784 -11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.084 6.043 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.213 2.480 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.050 5.588 -8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.193 0.802 -9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.006 3.912 -6.731 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.221 1.788 -6.227 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.864 8.043 -11.929 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.145 9.139 -12.595 1.00 0.00 C ATOM 1701 C TRP A 113 -1.324 9.899 -11.544 1.00 0.00 C ATOM 1702 O TRP A 113 -1.604 9.804 -10.337 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.136 10.097 -13.332 1.00 0.00 C ATOM 1704 CG TRP A 113 -3.740 9.519 -14.600 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -3.212 9.581 -15.860 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -4.978 8.797 -14.730 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -4.037 8.957 -16.755 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.126 8.468 -16.091 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -5.974 8.401 -13.831 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -6.226 7.767 -16.577 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.068 7.703 -14.313 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.186 7.392 -15.673 1.00 0.00 C ATOM 0 H TRP A 113 -3.321 8.331 -11.064 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.477 8.727 -13.352 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.942 10.362 -12.648 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.613 11.020 -13.581 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.275 10.056 -16.113 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.866 8.871 -17.757 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.891 8.636 -12.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -6.320 7.528 -17.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.844 7.393 -13.628 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.051 6.845 -16.017 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.307 10.645 -12.008 1.00 0.00 N ATOM 1724 CA GLY A 114 0.545 11.433 -11.122 1.00 0.00 C ATOM 1725 C GLY A 114 -0.098 12.744 -10.695 1.00 0.00 C ATOM 1726 O GLY A 114 -1.329 12.849 -10.635 1.00 0.00 O ATOM 0 H GLY A 114 -0.060 10.714 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.782 10.844 -10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.488 11.644 -11.626 1.00 0.00 H new ATOM 1730 N GLN A 115 0.728 13.752 -10.402 1.00 0.00 N ATOM 1731 CA GLN A 115 0.256 15.100 -10.005 1.00 0.00 C ATOM 1732 C GLN A 115 0.489 16.115 -11.143 1.00 0.00 C ATOM 1733 O GLN A 115 0.275 17.320 -10.961 1.00 0.00 O ATOM 1734 CB GLN A 115 0.909 15.553 -8.646 1.00 0.00 C ATOM 1735 CG GLN A 115 2.381 15.120 -8.407 1.00 0.00 C ATOM 1736 CD GLN A 115 3.392 15.727 -9.376 1.00 0.00 C ATOM 1737 OE1 GLN A 115 3.667 15.153 -10.420 1.00 0.00 O ATOM 1738 NE2 GLN A 115 3.935 16.893 -9.048 1.00 0.00 N ATOM 0 H GLN A 115 1.744 13.666 -10.430 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.819 15.056 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.860 16.640 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.302 15.163 -7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.665 15.392 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.441 14.034 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.682 17.344 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.605 17.338 -9.675 1.00 0.00 H new ATOM 1747 N GLY A 116 0.929 15.608 -12.316 1.00 0.00 N ATOM 1748 CA GLY A 116 1.116 16.422 -13.514 1.00 0.00 C ATOM 1749 C GLY A 116 2.422 17.201 -13.509 1.00 0.00 C ATOM 1750 O GLY A 116 3.064 17.350 -12.468 1.00 0.00 O ATOM 0 H GLY A 116 1.161 14.624 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.088 15.777 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.284 17.120 -13.605 1.00 0.00 H new ATOM 1754 N THR A 117 2.819 17.685 -14.690 1.00 0.00 N ATOM 1755 CA THR A 117 3.947 18.609 -14.846 1.00 0.00 C ATOM 1756 C THR A 117 3.587 19.667 -15.914 1.00 0.00 C ATOM 1757 O THR A 117 3.342 19.336 -17.085 1.00 0.00 O ATOM 1758 CB THR A 117 5.295 17.856 -15.174 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.348 18.801 -15.424 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.178 16.877 -16.357 1.00 0.00 C ATOM 0 H THR A 117 2.364 17.445 -15.571 1.00 0.00 H new ATOM 0 HA THR A 117 4.124 19.115 -13.897 1.00 0.00 H new ATOM 0 HB THR A 117 5.531 17.258 -14.294 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.207 18.330 -15.466 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.141 16.395 -16.527 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.428 16.120 -16.130 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.883 17.423 -17.253 1.00 0.00 H new ATOM 1768 N GLN A 118 3.501 20.940 -15.469 1.00 0.00 N ATOM 1769 CA GLN A 118 3.098 22.077 -16.320 1.00 0.00 C ATOM 1770 C GLN A 118 4.169 22.381 -17.375 1.00 0.00 C ATOM 1771 O GLN A 118 5.334 22.626 -17.038 1.00 0.00 O ATOM 1772 CB GLN A 118 2.836 23.348 -15.466 1.00 0.00 C ATOM 1773 CG GLN A 118 1.590 23.286 -14.567 1.00 0.00 C ATOM 1774 CD GLN A 118 0.255 23.155 -15.327 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.695 22.563 -14.817 1.00 0.00 O ATOM 1776 NE2 GLN A 118 0.161 23.720 -16.535 1.00 0.00 N ATOM 0 H GLN A 118 3.710 21.207 -14.507 1.00 0.00 H new ATOM 0 HA GLN A 118 2.174 21.794 -16.824 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.708 23.531 -14.839 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.739 24.203 -16.135 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.690 22.440 -13.887 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.556 24.186 -13.953 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.964 24.205 -16.935 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.714 23.666 -17.057 1.00 0.00 H new ATOM 1785 N VAL A 119 3.757 22.344 -18.646 1.00 0.00 N ATOM 1786 CA VAL A 119 4.582 22.751 -19.790 1.00 0.00 C ATOM 1787 C VAL A 119 3.903 23.963 -20.470 1.00 0.00 C ATOM 1788 O VAL A 119 2.673 24.004 -20.607 1.00 0.00 O ATOM 1789 CB VAL A 119 4.786 21.556 -20.812 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.399 20.316 -20.107 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.469 21.178 -21.536 1.00 0.00 C ATOM 0 H VAL A 119 2.826 22.025 -18.914 1.00 0.00 H new ATOM 0 HA VAL A 119 5.576 23.033 -19.443 1.00 0.00 H new ATOM 0 HB VAL A 119 5.487 21.903 -21.571 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.528 19.512 -20.832 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.368 20.581 -19.683 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.733 19.984 -19.311 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.656 20.355 -22.226 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.724 20.873 -20.801 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.099 22.040 -22.091 1.00 0.00 H new ATOM 1801 N THR A 120 4.687 24.979 -20.830 1.00 0.00 N ATOM 1802 CA THR A 120 4.184 26.157 -21.549 1.00 0.00 C ATOM 1803 C THR A 120 5.139 26.464 -22.697 1.00 0.00 C ATOM 1804 O THR A 120 6.233 26.974 -22.481 1.00 0.00 O ATOM 1805 CB THR A 120 4.048 27.389 -20.587 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.140 27.069 -19.519 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.559 28.662 -21.313 1.00 0.00 C ATOM 0 H THR A 120 5.687 25.012 -20.633 1.00 0.00 H new ATOM 0 HA THR A 120 3.189 25.949 -21.943 1.00 0.00 H new ATOM 0 HB THR A 120 5.042 27.601 -20.194 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.057 27.839 -18.918 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.483 29.482 -20.599 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.267 28.928 -22.097 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.581 28.475 -21.756 1.00 0.00 H new ATOM 1815 N VAL A 121 4.748 26.118 -23.920 1.00 0.00 N ATOM 1816 CA VAL A 121 5.592 26.377 -25.085 1.00 0.00 C ATOM 1817 C VAL A 121 5.294 27.787 -25.627 1.00 0.00 C ATOM 1818 O VAL A 121 4.251 28.015 -26.249 1.00 0.00 O ATOM 1819 CB VAL A 121 5.420 25.284 -26.189 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.440 25.481 -27.340 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.536 23.863 -25.582 1.00 0.00 C ATOM 0 H VAL A 121 3.860 25.662 -24.131 1.00 0.00 H new ATOM 0 HA VAL A 121 6.636 26.330 -24.775 1.00 0.00 H new ATOM 0 HB VAL A 121 4.421 25.392 -26.611 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.295 24.705 -28.092 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.290 26.460 -27.795 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.453 25.416 -26.943 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.413 23.120 -26.370 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.516 23.743 -25.120 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.761 23.725 -24.828 1.00 0.00 H new ATOM 1831 N SER A 122 6.188 28.749 -25.290 1.00 0.00 N ATOM 1832 CA SER A 122 6.174 30.105 -25.862 1.00 0.00 C ATOM 1833 C SER A 122 6.272 30.068 -27.404 1.00 0.00 C ATOM 1834 O SER A 122 7.019 29.254 -27.957 1.00 0.00 O ATOM 1835 CB SER A 122 7.351 30.923 -25.290 1.00 0.00 C ATOM 1836 OG SER A 122 8.598 30.304 -25.542 1.00 0.00 O ATOM 0 H SER A 122 6.936 28.600 -24.613 1.00 0.00 H new ATOM 0 HA SER A 122 5.228 30.575 -25.592 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.346 31.921 -25.729 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.218 31.047 -24.215 1.00 0.00 H new ATOM 0 HG SER A 122 9.293 30.990 -25.623 1.00 0.00 H new ATOM 1842 N SER A 123 5.532 30.962 -28.081 1.00 0.00 N ATOM 1843 CA SER A 123 5.535 31.073 -29.554 1.00 0.00 C ATOM 1844 C SER A 123 6.702 31.975 -30.032 1.00 0.00 C ATOM 1845 O SER A 123 6.485 32.987 -30.705 1.00 0.00 O ATOM 1846 CB SER A 123 4.153 31.604 -30.022 1.00 0.00 C ATOM 1847 OG SER A 123 3.800 32.806 -29.354 1.00 0.00 O ATOM 0 H SER A 123 4.913 31.631 -27.623 1.00 0.00 H new ATOM 0 HA SER A 123 5.696 30.092 -30.002 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.175 31.778 -31.098 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.391 30.847 -29.837 1.00 0.00 H new ATOM 0 HG SER A 123 4.509 33.471 -29.481 1.00 0.00 H new ATOM 1853 N LEU A 124 7.951 31.560 -29.681 1.00 0.00 N ATOM 1854 CA LEU A 124 9.197 32.332 -29.944 1.00 0.00 C ATOM 1855 C LEU A 124 9.135 33.727 -29.277 1.00 0.00 C ATOM 1856 O LEU A 124 9.690 34.706 -29.795 1.00 0.00 O ATOM 1857 CB LEU A 124 9.500 32.451 -31.482 1.00 0.00 C ATOM 1858 CG LEU A 124 9.918 31.152 -32.251 1.00 0.00 C ATOM 1859 CD1 LEU A 124 11.064 30.415 -31.537 1.00 0.00 C ATOM 1860 CD2 LEU A 124 8.719 30.224 -32.519 1.00 0.00 C ATOM 0 H LEU A 124 8.121 30.674 -29.205 1.00 0.00 H new ATOM 0 HA LEU A 124 10.023 31.778 -29.497 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.612 32.855 -31.967 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.295 33.185 -31.610 1.00 0.00 H new ATOM 0 HG LEU A 124 10.293 31.467 -33.225 1.00 0.00 H new ATOM 0 HD11 LEU A 124 11.327 29.519 -32.100 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.933 31.070 -31.471 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.746 30.133 -30.533 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.058 29.337 -33.054 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.270 29.927 -31.571 1.00 0.00 H new ATOM 0 HD23 LEU A 124 7.979 30.751 -33.122 1.00 0.00 H new ATOM 1872 N GLU A 125 8.490 33.789 -28.099 1.00 0.00 N ATOM 1873 CA GLU A 125 8.194 35.055 -27.409 1.00 0.00 C ATOM 1874 C GLU A 125 9.445 35.634 -26.713 1.00 0.00 C ATOM 1875 O GLU A 125 10.184 36.416 -27.317 1.00 0.00 O ATOM 1876 CB GLU A 125 7.029 34.851 -26.411 1.00 0.00 C ATOM 1877 CG GLU A 125 5.725 34.359 -27.062 1.00 0.00 C ATOM 1878 CD GLU A 125 4.607 34.075 -26.051 1.00 0.00 C ATOM 1879 OE1 GLU A 125 4.022 35.038 -25.508 1.00 0.00 O ATOM 1880 OE2 GLU A 125 4.299 32.892 -25.796 1.00 0.00 O ATOM 0 H GLU A 125 8.160 32.963 -27.600 1.00 0.00 H new ATOM 0 HA GLU A 125 7.887 35.789 -28.154 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.337 34.133 -25.651 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.834 35.793 -25.899 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.379 35.108 -27.774 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.931 33.451 -27.629 1.00 0.00 H new ATOM 1887 N HIS A 126 9.707 35.223 -25.454 1.00 0.00 N ATOM 1888 CA HIS A 126 10.762 35.834 -24.608 1.00 0.00 C ATOM 1889 C HIS A 126 11.531 34.766 -23.813 1.00 0.00 C ATOM 1890 O HIS A 126 12.091 35.054 -22.745 1.00 0.00 O ATOM 1891 CB HIS A 126 10.136 36.900 -23.656 1.00 0.00 C ATOM 1892 CG HIS A 126 9.590 38.113 -24.368 1.00 0.00 C ATOM 1893 ND1 HIS A 126 8.252 38.421 -24.421 1.00 0.00 N ATOM 1894 CD2 HIS A 126 10.222 39.080 -25.081 1.00 0.00 C ATOM 1895 CE1 HIS A 126 8.079 39.520 -25.132 1.00 0.00 C ATOM 1896 NE2 HIS A 126 9.258 39.939 -25.544 1.00 0.00 N ATOM 0 H HIS A 126 9.200 34.466 -24.996 1.00 0.00 H new ATOM 0 HA HIS A 126 11.480 36.330 -25.261 1.00 0.00 H new ATOM 0 HB2 HIS A 126 9.333 36.435 -23.084 1.00 0.00 H new ATOM 0 HB3 HIS A 126 10.892 37.221 -22.940 1.00 0.00 H new ATOM 0 HD2 HIS A 126 11.286 39.158 -25.252 1.00 0.00 H new ATOM 0 HE1 HIS A 126 7.132 39.995 -25.340 1.00 0.00 H new ATOM 0 HE2 HIS A 126 9.427 40.768 -26.115 1.00 0.00 H new ATOM 1905 N HIS A 127 11.579 33.533 -24.351 1.00 0.00 N ATOM 1906 CA HIS A 127 12.425 32.465 -23.794 1.00 0.00 C ATOM 1907 C HIS A 127 13.882 32.750 -24.199 1.00 0.00 C ATOM 1908 O HIS A 127 14.270 32.469 -25.342 1.00 0.00 O ATOM 1909 CB HIS A 127 11.970 31.062 -24.282 1.00 0.00 C ATOM 1910 CG HIS A 127 12.671 29.929 -23.571 1.00 0.00 C ATOM 1911 ND1 HIS A 127 13.572 29.089 -24.177 1.00 0.00 N ATOM 1912 CD2 HIS A 127 12.570 29.499 -22.294 1.00 0.00 C ATOM 1913 CE1 HIS A 127 13.995 28.191 -23.305 1.00 0.00 C ATOM 1914 NE2 HIS A 127 13.401 28.417 -22.154 1.00 0.00 N ATOM 0 H HIS A 127 11.041 33.253 -25.171 1.00 0.00 H new ATOM 0 HA HIS A 127 12.335 32.456 -22.708 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.894 30.964 -24.135 1.00 0.00 H new ATOM 0 HB3 HIS A 127 12.154 30.980 -25.353 1.00 0.00 H new ATOM 0 HD1 HIS A 127 13.869 29.149 -25.151 1.00 0.00 H new ATOM 0 HD2 HIS A 127 11.948 29.929 -21.523 1.00 0.00 H new ATOM 0 HE1 HIS A 127 14.708 27.405 -23.504 1.00 0.00 H new ATOM 1923 N HIS A 128 14.644 33.363 -23.274 1.00 0.00 N ATOM 1924 CA HIS A 128 16.021 33.830 -23.529 1.00 0.00 C ATOM 1925 C HIS A 128 16.922 32.674 -24.008 1.00 0.00 C ATOM 1926 O HIS A 128 17.245 31.764 -23.238 1.00 0.00 O ATOM 1927 CB HIS A 128 16.605 34.498 -22.253 1.00 0.00 C ATOM 1928 CG HIS A 128 18.006 35.056 -22.398 1.00 0.00 C ATOM 1929 ND1 HIS A 128 18.267 36.371 -22.733 1.00 0.00 N ATOM 1930 CD2 HIS A 128 19.218 34.472 -22.236 1.00 0.00 C ATOM 1931 CE1 HIS A 128 19.573 36.565 -22.771 1.00 0.00 C ATOM 1932 NE2 HIS A 128 20.170 35.429 -22.472 1.00 0.00 N ATOM 0 H HIS A 128 14.321 33.549 -22.325 1.00 0.00 H new ATOM 0 HA HIS A 128 15.989 34.573 -24.326 1.00 0.00 H new ATOM 0 HB2 HIS A 128 15.940 35.306 -21.949 1.00 0.00 H new ATOM 0 HB3 HIS A 128 16.605 33.765 -21.447 1.00 0.00 H new ATOM 0 HD2 HIS A 128 19.400 33.441 -21.970 1.00 0.00 H new ATOM 0 HE1 HIS A 128 20.067 37.496 -23.007 1.00 0.00 H new ATOM 0 HE2 HIS A 128 21.179 35.285 -22.424 1.00 0.00 H new ATOM 1941 N HIS A 129 17.301 32.728 -25.291 1.00 0.00 N ATOM 1942 CA HIS A 129 18.198 31.739 -25.912 1.00 0.00 C ATOM 1943 C HIS A 129 19.666 32.078 -25.622 1.00 0.00 C ATOM 1944 O HIS A 129 19.981 33.178 -25.144 1.00 0.00 O ATOM 1945 CB HIS A 129 17.936 31.646 -27.445 1.00 0.00 C ATOM 1946 CG HIS A 129 18.075 32.944 -28.213 1.00 0.00 C ATOM 1947 ND1 HIS A 129 17.010 33.570 -28.826 1.00 0.00 N ATOM 1948 CD2 HIS A 129 19.160 33.712 -28.495 1.00 0.00 C ATOM 1949 CE1 HIS A 129 17.430 34.652 -29.448 1.00 0.00 C ATOM 1950 NE2 HIS A 129 18.728 34.764 -29.260 1.00 0.00 N ATOM 0 H HIS A 129 16.994 33.460 -25.932 1.00 0.00 H new ATOM 0 HA HIS A 129 17.988 30.763 -25.475 1.00 0.00 H new ATOM 0 HB2 HIS A 129 18.627 30.918 -27.870 1.00 0.00 H new ATOM 0 HB3 HIS A 129 16.929 31.259 -27.600 1.00 0.00 H new ATOM 0 HD2 HIS A 129 20.175 33.528 -28.175 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.814 35.333 -30.016 1.00 0.00 H new ATOM 0 HE2 HIS A 129 19.317 35.513 -29.625 1.00 0.00 H new ATOM 1959 N HIS A 130 20.555 31.132 -25.936 1.00 0.00 N ATOM 1960 CA HIS A 130 22.005 31.313 -25.791 1.00 0.00 C ATOM 1961 C HIS A 130 22.724 30.650 -26.969 1.00 0.00 C ATOM 1962 O HIS A 130 22.339 29.561 -27.401 1.00 0.00 O ATOM 1963 CB HIS A 130 22.507 30.712 -24.455 1.00 0.00 C ATOM 1964 CG HIS A 130 23.977 30.956 -24.193 1.00 0.00 C ATOM 1965 ND1 HIS A 130 24.981 30.151 -24.692 1.00 0.00 N ATOM 1966 CD2 HIS A 130 24.603 31.936 -23.503 1.00 0.00 C ATOM 1967 CE1 HIS A 130 26.152 30.632 -24.322 1.00 0.00 C ATOM 1968 NE2 HIS A 130 25.952 31.712 -23.601 1.00 0.00 N ATOM 0 H HIS A 130 20.291 30.216 -26.299 1.00 0.00 H new ATOM 0 HA HIS A 130 22.224 32.381 -25.785 1.00 0.00 H new ATOM 0 HB2 HIS A 130 21.926 31.135 -23.635 1.00 0.00 H new ATOM 0 HB3 HIS A 130 22.321 29.638 -24.457 1.00 0.00 H new ATOM 0 HD2 HIS A 130 24.127 32.747 -22.972 1.00 0.00 H new ATOM 0 HE1 HIS A 130 27.114 30.209 -24.570 1.00 0.00 H new ATOM 0 HE2 HIS A 130 26.681 32.289 -23.183 1.00 0.00 H new ATOM 1977 N HIS A 131 23.772 31.313 -27.470 1.00 0.00 N ATOM 1978 CA HIS A 131 24.642 30.781 -28.529 1.00 0.00 C ATOM 1979 C HIS A 131 26.112 30.888 -28.052 1.00 0.00 C ATOM 1980 O HIS A 131 26.663 29.875 -27.570 1.00 0.00 O ATOM 1981 CB HIS A 131 24.394 31.543 -29.862 1.00 0.00 C ATOM 1982 CG HIS A 131 25.265 31.094 -31.007 1.00 0.00 C ATOM 1983 ND1 HIS A 131 26.398 31.775 -31.392 1.00 0.00 N ATOM 1984 CD2 HIS A 131 25.151 30.049 -31.862 1.00 0.00 C ATOM 1985 CE1 HIS A 131 26.946 31.173 -32.427 1.00 0.00 C ATOM 1986 NE2 HIS A 131 26.212 30.124 -32.733 1.00 0.00 N ATOM 1987 OXT HIS A 131 26.690 31.993 -28.112 1.00 0.00 O ATOM 0 H HIS A 131 24.044 32.243 -27.150 1.00 0.00 H new ATOM 0 HA HIS A 131 24.417 29.732 -28.724 1.00 0.00 H new ATOM 0 HB2 HIS A 131 23.349 31.421 -30.147 1.00 0.00 H new ATOM 0 HB3 HIS A 131 24.557 32.608 -29.694 1.00 0.00 H new ATOM 0 HD2 HIS A 131 24.374 29.299 -31.860 1.00 0.00 H new ATOM 0 HE1 HIS A 131 27.844 31.486 -32.938 1.00 0.00 H new ATOM 0 HE2 HIS A 131 26.400 29.472 -33.494 1.00 0.00 H new TER 1996 HIS A 131