USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1110 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 48 LYS NZ :NH3+ 140:sc= 0.981 (180deg=0.0467) USER MOD Set 1.2: B 732 TYR OH : rot 8:sc= 1.26 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.75) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.44) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -133:sc= 0.0404 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -0.551 (180deg=-1.69!) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= -0.0196 (180deg=-0.0829) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0138 (180deg=-0.178) USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.174 (180deg=-0.619) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.134) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.334 (180deg=-0.705) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.461 K(o=-0.46,f=-2.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-0.23) USER MOD Single : A 81 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.7!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 68:sc= 0.892 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 91 MET CE :methyl -168:sc= -0.345 (180deg=-0.813) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 99 HIS : no HE2:sc= 0.0126 K(o=0.013,f=-0.5) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -160:sc= 0 USER MOD Single : A 113 SER OG : rot 36:sc= 0.0197 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl -177:sc= 0 (180deg=-0.00442) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0 USER MOD Single : B 729 SER OG : rot 180:sc= 0 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -7.686 20.385 -11.569 1.00 0.00 N ATOM 2 CA GLY A -3 -6.314 20.309 -12.091 1.00 0.00 C ATOM 3 C GLY A -3 -5.900 18.863 -12.291 1.00 0.00 C ATOM 4 O GLY A -3 -6.731 18.036 -12.676 1.00 0.00 O ATOM 0 H1 GLY A -3 -8.225 21.090 -12.111 1.00 0.00 H new ATOM 0 H2 GLY A -3 -8.144 19.455 -11.659 1.00 0.00 H new ATOM 0 H3 GLY A -3 -7.661 20.663 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -6.248 20.846 -13.037 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -5.628 20.797 -11.399 1.00 0.00 H new ATOM 8 N SER A -2 -4.641 18.533 -11.994 1.00 0.00 N ATOM 9 CA SER A -2 -4.087 17.192 -12.137 1.00 0.00 C ATOM 10 C SER A -2 -3.517 16.707 -10.792 1.00 0.00 C ATOM 11 O SER A -2 -2.303 16.731 -10.581 1.00 0.00 O ATOM 12 CB SER A -2 -3.060 17.207 -13.276 1.00 0.00 C ATOM 13 OG SER A -2 -2.761 15.902 -13.709 1.00 0.00 O ATOM 0 H SER A -2 -3.965 19.210 -11.639 1.00 0.00 H new ATOM 0 HA SER A -2 -4.860 16.472 -12.406 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.448 17.790 -14.111 1.00 0.00 H new ATOM 0 HB3 SER A -2 -2.148 17.699 -12.940 1.00 0.00 H new ATOM 0 HG SER A -2 -2.105 15.941 -14.436 1.00 0.00 H new ATOM 19 N PRO A -1 -4.368 16.330 -9.823 1.00 0.00 N ATOM 20 CA PRO A -1 -3.929 15.832 -8.529 1.00 0.00 C ATOM 21 C PRO A -1 -3.511 14.355 -8.646 1.00 0.00 C ATOM 22 O PRO A -1 -3.879 13.657 -9.599 1.00 0.00 O ATOM 23 CB PRO A -1 -5.153 15.982 -7.624 1.00 0.00 C ATOM 24 CG PRO A -1 -6.303 15.705 -8.586 1.00 0.00 C ATOM 25 CD PRO A -1 -5.814 16.271 -9.916 1.00 0.00 C ATOM 0 HA PRO A -1 -3.065 16.372 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -5.136 15.274 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -5.218 16.979 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -6.514 14.638 -8.659 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -7.223 16.190 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -6.125 15.638 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -6.233 17.261 -10.096 1.00 0.00 H new ATOM 33 N GLU A 0 -2.763 13.876 -7.651 1.00 0.00 N ATOM 34 CA GLU A 0 -2.265 12.503 -7.524 1.00 0.00 C ATOM 35 C GLU A 0 -1.615 12.310 -6.141 1.00 0.00 C ATOM 36 O GLU A 0 -0.555 11.691 -6.003 1.00 0.00 O ATOM 37 CB GLU A 0 -1.346 12.101 -8.693 1.00 0.00 C ATOM 38 CG GLU A 0 -0.165 13.037 -8.964 1.00 0.00 C ATOM 39 CD GLU A 0 0.618 12.631 -10.213 1.00 0.00 C ATOM 40 OE1 GLU A 0 0.785 11.414 -10.481 1.00 0.00 O ATOM 41 OE2 GLU A 0 1.098 13.545 -10.920 1.00 0.00 O ATOM 0 H GLU A 0 -2.472 14.465 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 0 -3.110 11.818 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -0.956 11.102 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -1.949 12.036 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -0.531 14.057 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 0 0.503 13.036 -8.102 1.00 0.00 H new ATOM 48 N PHE A 1 -2.185 12.953 -5.117 1.00 0.00 N ATOM 49 CA PHE A 1 -1.712 12.869 -3.739 1.00 0.00 C ATOM 50 C PHE A 1 -2.119 11.501 -3.169 1.00 0.00 C ATOM 51 O PHE A 1 -3.021 10.833 -3.692 1.00 0.00 O ATOM 52 CB PHE A 1 -2.319 14.006 -2.891 1.00 0.00 C ATOM 53 CG PHE A 1 -1.610 15.356 -2.935 1.00 0.00 C ATOM 54 CD1 PHE A 1 -1.305 15.987 -4.158 1.00 0.00 C ATOM 55 CD2 PHE A 1 -1.308 16.023 -1.729 1.00 0.00 C ATOM 56 CE1 PHE A 1 -0.718 17.265 -4.170 1.00 0.00 C ATOM 57 CE2 PHE A 1 -0.757 17.316 -1.745 1.00 0.00 C ATOM 58 CZ PHE A 1 -0.456 17.939 -2.967 1.00 0.00 C ATOM 0 H PHE A 1 -3.001 13.555 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 1 -0.627 12.975 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.350 14.154 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -2.352 13.674 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.523 15.487 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.502 15.536 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.467 17.731 -5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.565 17.831 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.026 18.930 -2.981 1.00 0.00 H new ATOM 68 N LYS A 2 -1.481 11.102 -2.063 1.00 0.00 N ATOM 69 CA LYS A 2 -1.717 9.833 -1.364 1.00 0.00 C ATOM 70 C LYS A 2 -1.807 9.995 0.158 1.00 0.00 C ATOM 71 O LYS A 2 -1.994 9.002 0.853 1.00 0.00 O ATOM 72 CB LYS A 2 -0.579 8.863 -1.730 1.00 0.00 C ATOM 73 CG LYS A 2 -0.739 8.245 -3.130 1.00 0.00 C ATOM 74 CD LYS A 2 0.610 7.981 -3.802 1.00 0.00 C ATOM 75 CE LYS A 2 1.199 9.265 -4.393 1.00 0.00 C ATOM 76 NZ LYS A 2 2.278 8.988 -5.361 1.00 0.00 N ATOM 0 H LYS A 2 -0.763 11.672 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.683 9.443 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.372 9.393 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.538 8.064 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.293 7.310 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.330 8.914 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.305 7.561 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.487 7.239 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.409 9.833 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.587 9.889 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.647 9.885 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.045 8.469 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.904 8.414 -6.143 1.00 0.00 H new ATOM 90 N PHE A 3 -1.643 11.213 0.682 1.00 0.00 N ATOM 91 CA PHE A 3 -1.694 11.478 2.113 1.00 0.00 C ATOM 92 C PHE A 3 -3.098 11.303 2.681 1.00 0.00 C ATOM 93 O PHE A 3 -4.058 11.845 2.124 1.00 0.00 O ATOM 94 CB PHE A 3 -1.243 12.921 2.384 1.00 0.00 C ATOM 95 CG PHE A 3 0.215 13.029 2.752 1.00 0.00 C ATOM 96 CD1 PHE A 3 1.215 12.793 1.789 1.00 0.00 C ATOM 97 CD2 PHE A 3 0.574 13.341 4.076 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.569 12.878 2.151 1.00 0.00 C ATOM 99 CE2 PHE A 3 1.927 13.425 4.434 1.00 0.00 C ATOM 100 CZ PHE A 3 2.926 13.193 3.472 1.00 0.00 C ATOM 0 H PHE A 3 -1.470 12.045 0.117 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.032 10.760 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.433 13.527 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.846 13.338 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.941 12.547 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.192 13.516 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.337 12.701 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.202 13.668 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.968 13.257 3.749 1.00 0.00 H new ATOM 110 N GLN A 4 -3.193 10.677 3.858 1.00 0.00 N ATOM 111 CA GLN A 4 -4.451 10.441 4.558 1.00 0.00 C ATOM 112 C GLN A 4 -5.180 11.760 4.787 1.00 0.00 C ATOM 113 O GLN A 4 -6.384 11.822 4.593 1.00 0.00 O ATOM 114 CB GLN A 4 -4.243 9.653 5.871 1.00 0.00 C ATOM 115 CG GLN A 4 -3.397 10.307 6.981 1.00 0.00 C ATOM 116 CD GLN A 4 -4.147 11.340 7.822 1.00 0.00 C ATOM 117 OE1 GLN A 4 -5.305 11.162 8.187 1.00 0.00 O ATOM 118 NE2 GLN A 4 -3.521 12.459 8.146 1.00 0.00 N ATOM 0 H GLN A 4 -2.380 10.315 4.357 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.080 9.813 3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.226 9.432 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.782 8.698 5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.018 9.526 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.531 10.787 6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.558 12.611 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.001 13.170 8.697 1.00 0.00 H new ATOM 127 N TYR A 5 -4.454 12.848 5.063 1.00 0.00 N ATOM 128 CA TYR A 5 -5.033 14.161 5.312 1.00 0.00 C ATOM 129 C TYR A 5 -6.028 14.614 4.230 1.00 0.00 C ATOM 130 O TYR A 5 -6.979 15.342 4.536 1.00 0.00 O ATOM 131 CB TYR A 5 -3.903 15.182 5.474 1.00 0.00 C ATOM 132 CG TYR A 5 -4.411 16.574 5.789 1.00 0.00 C ATOM 133 CD1 TYR A 5 -5.039 16.822 7.024 1.00 0.00 C ATOM 134 CD2 TYR A 5 -4.319 17.599 4.829 1.00 0.00 C ATOM 135 CE1 TYR A 5 -5.577 18.087 7.306 1.00 0.00 C ATOM 136 CE2 TYR A 5 -4.857 18.867 5.101 1.00 0.00 C ATOM 137 CZ TYR A 5 -5.489 19.113 6.340 1.00 0.00 C ATOM 138 OH TYR A 5 -6.031 20.333 6.601 1.00 0.00 O ATOM 0 H TYR A 5 -3.436 12.836 5.119 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.616 14.090 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.235 14.855 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.314 15.214 4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.107 16.034 7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.834 17.410 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.055 18.275 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.788 19.653 4.364 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.884 20.927 5.835 1.00 0.00 H new ATOM 148 N LYS A 6 -5.819 14.231 2.966 1.00 0.00 N ATOM 149 CA LYS A 6 -6.712 14.599 1.867 1.00 0.00 C ATOM 150 C LYS A 6 -7.712 13.501 1.567 1.00 0.00 C ATOM 151 O LYS A 6 -8.813 13.797 1.096 1.00 0.00 O ATOM 152 CB LYS A 6 -5.902 14.851 0.594 1.00 0.00 C ATOM 153 CG LYS A 6 -5.008 16.086 0.737 1.00 0.00 C ATOM 154 CD LYS A 6 -4.366 16.445 -0.599 1.00 0.00 C ATOM 155 CE LYS A 6 -5.398 16.994 -1.589 1.00 0.00 C ATOM 156 NZ LYS A 6 -4.742 17.694 -2.706 1.00 0.00 N ATOM 0 H LYS A 6 -5.026 13.658 2.678 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.244 15.499 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.287 13.978 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.579 14.986 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.598 16.928 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.233 15.896 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.583 17.186 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.888 15.562 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.006 16.176 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.073 17.677 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.464 18.056 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.181 18.488 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.117 17.033 -3.210 1.00 0.00 H new ATOM 170 N GLU A 7 -7.327 12.255 1.809 1.00 0.00 N ATOM 171 CA GLU A 7 -8.130 11.073 1.560 1.00 0.00 C ATOM 172 C GLU A 7 -9.118 10.763 2.687 1.00 0.00 C ATOM 173 O GLU A 7 -10.067 10.017 2.461 1.00 0.00 O ATOM 174 CB GLU A 7 -7.161 9.930 1.201 1.00 0.00 C ATOM 175 CG GLU A 7 -6.394 10.219 -0.113 1.00 0.00 C ATOM 176 CD GLU A 7 -7.278 10.855 -1.197 1.00 0.00 C ATOM 177 OE1 GLU A 7 -8.250 10.197 -1.637 1.00 0.00 O ATOM 178 OE2 GLU A 7 -7.107 12.059 -1.511 1.00 0.00 O ATOM 0 H GLU A 7 -6.411 12.035 2.199 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.801 11.235 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.449 9.788 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.719 8.999 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.556 10.883 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.974 9.288 -0.494 1.00 0.00 H new ATOM 185 N ASP A 8 -8.993 11.439 3.828 1.00 0.00 N ATOM 186 CA ASP A 8 -9.832 11.321 5.020 1.00 0.00 C ATOM 187 C ASP A 8 -11.149 12.071 4.840 1.00 0.00 C ATOM 188 O ASP A 8 -12.173 11.645 5.365 1.00 0.00 O ATOM 189 CB ASP A 8 -9.053 11.880 6.217 1.00 0.00 C ATOM 190 CG ASP A 8 -9.815 11.814 7.539 1.00 0.00 C ATOM 191 OD1 ASP A 8 -9.721 10.767 8.225 1.00 0.00 O ATOM 192 OD2 ASP A 8 -10.371 12.854 7.962 1.00 0.00 O ATOM 0 H ASP A 8 -8.253 12.130 3.953 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.077 10.273 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.119 11.328 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.789 12.918 6.013 1.00 0.00 H new ATOM 197 N HIS A 9 -11.140 13.172 4.074 1.00 0.00 N ATOM 198 CA HIS A 9 -12.331 13.974 3.801 1.00 0.00 C ATOM 199 C HIS A 9 -13.448 13.095 3.217 1.00 0.00 C ATOM 200 O HIS A 9 -14.534 13.081 3.803 1.00 0.00 O ATOM 201 CB HIS A 9 -12.010 15.202 2.928 1.00 0.00 C ATOM 202 CG HIS A 9 -12.217 16.529 3.620 1.00 0.00 C ATOM 203 ND1 HIS A 9 -12.100 16.781 4.971 1.00 0.00 N ATOM 204 CD2 HIS A 9 -12.567 17.703 3.012 1.00 0.00 C ATOM 205 CE1 HIS A 9 -12.380 18.075 5.185 1.00 0.00 C ATOM 206 NE2 HIS A 9 -12.648 18.677 4.014 1.00 0.00 N ATOM 0 H HIS A 9 -10.297 13.530 3.625 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.699 14.376 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.974 15.136 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.633 15.171 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.747 17.851 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.389 18.559 6.150 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.870 19.663 3.880 1.00 0.00 H new ATOM 214 N PRO A 10 -13.255 12.361 2.101 1.00 0.00 N ATOM 215 CA PRO A 10 -14.274 11.478 1.536 1.00 0.00 C ATOM 216 C PRO A 10 -14.320 10.169 2.358 1.00 0.00 C ATOM 217 O PRO A 10 -14.209 9.074 1.810 1.00 0.00 O ATOM 218 CB PRO A 10 -13.815 11.285 0.085 1.00 0.00 C ATOM 219 CG PRO A 10 -12.299 11.220 0.228 1.00 0.00 C ATOM 220 CD PRO A 10 -12.050 12.301 1.278 1.00 0.00 C ATOM 0 HA PRO A 10 -15.292 11.866 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.221 10.373 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.128 12.111 -0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.959 10.239 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.788 11.434 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.177 12.060 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.854 13.264 0.806 1.00 0.00 H new ATOM 228 N PHE A 11 -14.567 10.282 3.665 1.00 0.00 N ATOM 229 CA PHE A 11 -14.620 9.209 4.645 1.00 0.00 C ATOM 230 C PHE A 11 -15.513 8.045 4.229 1.00 0.00 C ATOM 231 O PHE A 11 -15.046 6.907 4.168 1.00 0.00 O ATOM 232 CB PHE A 11 -15.128 9.832 5.956 1.00 0.00 C ATOM 233 CG PHE A 11 -15.372 8.860 7.095 1.00 0.00 C ATOM 234 CD1 PHE A 11 -16.623 8.225 7.237 1.00 0.00 C ATOM 235 CD2 PHE A 11 -14.358 8.621 8.038 1.00 0.00 C ATOM 236 CE1 PHE A 11 -16.841 7.321 8.290 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.578 7.719 9.094 1.00 0.00 C ATOM 238 CZ PHE A 11 -15.812 7.059 9.211 1.00 0.00 C ATOM 0 H PHE A 11 -14.747 11.192 4.090 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.624 8.779 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.404 10.577 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.058 10.361 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.416 8.434 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.410 9.130 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.797 6.829 8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.797 7.533 9.816 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.971 6.349 10.010 1.00 0.00 H new ATOM 248 N GLU A 12 -16.779 8.299 3.873 1.00 0.00 N ATOM 249 CA GLU A 12 -17.642 7.192 3.483 1.00 0.00 C ATOM 250 C GLU A 12 -17.245 6.641 2.118 1.00 0.00 C ATOM 251 O GLU A 12 -17.526 5.484 1.834 1.00 0.00 O ATOM 252 CB GLU A 12 -19.136 7.546 3.558 1.00 0.00 C ATOM 253 CG GLU A 12 -19.657 8.611 2.577 1.00 0.00 C ATOM 254 CD GLU A 12 -19.335 10.036 3.019 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.608 10.370 4.194 1.00 0.00 O ATOM 256 OE2 GLU A 12 -18.821 10.818 2.185 1.00 0.00 O ATOM 0 H GLU A 12 -17.209 9.223 3.848 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.492 6.398 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.708 6.632 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.352 7.885 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.222 8.435 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.737 8.504 2.473 1.00 0.00 H new ATOM 263 N TYR A 13 -16.623 7.448 1.261 1.00 0.00 N ATOM 264 CA TYR A 13 -16.204 7.018 -0.063 1.00 0.00 C ATOM 265 C TYR A 13 -15.051 6.025 0.078 1.00 0.00 C ATOM 266 O TYR A 13 -15.159 4.919 -0.446 1.00 0.00 O ATOM 267 CB TYR A 13 -15.791 8.237 -0.900 1.00 0.00 C ATOM 268 CG TYR A 13 -16.365 8.316 -2.299 1.00 0.00 C ATOM 269 CD1 TYR A 13 -16.362 7.197 -3.155 1.00 0.00 C ATOM 270 CD2 TYR A 13 -16.827 9.558 -2.770 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.815 7.330 -4.480 1.00 0.00 C ATOM 272 CE2 TYR A 13 -17.278 9.696 -4.091 1.00 0.00 C ATOM 273 CZ TYR A 13 -17.259 8.583 -4.958 1.00 0.00 C ATOM 274 OH TYR A 13 -17.631 8.729 -6.256 1.00 0.00 O ATOM 0 H TYR A 13 -16.397 8.420 1.470 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.029 6.524 -0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -16.082 9.138 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.704 8.248 -0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.013 6.240 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.835 10.412 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.823 6.471 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.639 10.651 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.910 9.655 -6.414 1.00 0.00 H new ATOM 284 N ARG A 14 -13.987 6.370 0.826 1.00 0.00 N ATOM 285 CA ARG A 14 -12.858 5.451 0.996 1.00 0.00 C ATOM 286 C ARG A 14 -13.347 4.174 1.662 1.00 0.00 C ATOM 287 O ARG A 14 -13.029 3.083 1.203 1.00 0.00 O ATOM 288 CB ARG A 14 -11.670 6.089 1.758 1.00 0.00 C ATOM 289 CG ARG A 14 -11.952 6.578 3.191 1.00 0.00 C ATOM 290 CD ARG A 14 -10.681 6.960 3.964 1.00 0.00 C ATOM 291 NE ARG A 14 -11.012 7.256 5.369 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.243 7.850 6.287 1.00 0.00 C ATOM 293 NH1 ARG A 14 -8.979 8.168 6.036 1.00 0.00 N ATOM 294 NH2 ARG A 14 -10.773 8.123 7.470 1.00 0.00 N ATOM 0 H ARG A 14 -13.890 7.262 1.312 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.464 5.209 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.861 5.360 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.306 6.935 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -12.616 7.441 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -12.480 5.796 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.959 6.145 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.212 7.829 3.502 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.942 6.973 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.572 7.960 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.415 8.621 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.745 7.880 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.209 8.576 8.189 1.00 0.00 H new ATOM 308 N LYS A 15 -14.220 4.291 2.664 1.00 0.00 N ATOM 309 CA LYS A 15 -14.747 3.138 3.370 1.00 0.00 C ATOM 310 C LYS A 15 -15.600 2.260 2.463 1.00 0.00 C ATOM 311 O LYS A 15 -15.534 1.038 2.564 1.00 0.00 O ATOM 312 CB LYS A 15 -15.474 3.649 4.619 1.00 0.00 C ATOM 313 CG LYS A 15 -15.865 2.526 5.585 1.00 0.00 C ATOM 314 CD LYS A 15 -17.269 1.960 5.371 1.00 0.00 C ATOM 315 CE LYS A 15 -18.331 2.996 5.756 1.00 0.00 C ATOM 316 NZ LYS A 15 -19.653 2.359 5.879 1.00 0.00 N ATOM 0 H LYS A 15 -14.576 5.185 3.002 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.942 2.476 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.834 4.362 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.371 4.188 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.143 1.715 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.791 2.901 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.396 1.671 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.399 1.058 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.060 3.470 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.369 3.783 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.360 3.075 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.916 1.928 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.617 1.624 6.614 1.00 0.00 H new ATOM 330 N LYS A 16 -16.414 2.838 1.579 1.00 0.00 N ATOM 331 CA LYS A 16 -17.259 2.065 0.676 1.00 0.00 C ATOM 332 C LYS A 16 -16.404 1.278 -0.306 1.00 0.00 C ATOM 333 O LYS A 16 -16.664 0.081 -0.476 1.00 0.00 O ATOM 334 CB LYS A 16 -18.207 2.986 -0.081 1.00 0.00 C ATOM 335 CG LYS A 16 -19.452 3.335 0.752 1.00 0.00 C ATOM 336 CD LYS A 16 -20.208 4.556 0.202 1.00 0.00 C ATOM 337 CE LYS A 16 -21.130 4.247 -0.985 1.00 0.00 C ATOM 338 NZ LYS A 16 -20.426 3.664 -2.147 1.00 0.00 N ATOM 0 H LYS A 16 -16.504 3.848 1.471 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.847 1.365 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.683 3.902 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.514 2.507 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.123 2.476 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.153 3.531 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.803 4.992 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.483 5.310 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.909 3.557 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.628 5.165 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.945 3.895 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.464 4.056 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.373 2.631 -2.039 1.00 0.00 H new ATOM 352 N GLU A 17 -15.424 1.922 -0.943 1.00 0.00 N ATOM 353 CA GLU A 17 -14.556 1.247 -1.901 1.00 0.00 C ATOM 354 C GLU A 17 -13.743 0.176 -1.177 1.00 0.00 C ATOM 355 O GLU A 17 -13.638 -0.957 -1.650 1.00 0.00 O ATOM 356 CB GLU A 17 -13.626 2.234 -2.634 1.00 0.00 C ATOM 357 CG GLU A 17 -14.330 3.344 -3.433 1.00 0.00 C ATOM 358 CD GLU A 17 -15.308 2.895 -4.524 1.00 0.00 C ATOM 359 OE1 GLU A 17 -15.499 1.686 -4.786 1.00 0.00 O ATOM 360 OE2 GLU A 17 -16.003 3.770 -5.088 1.00 0.00 O ATOM 0 H GLU A 17 -15.214 2.911 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.183 0.781 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.970 2.701 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.990 1.668 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.872 3.977 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.565 3.966 -3.898 1.00 0.00 H new ATOM 367 N GLY A 18 -13.241 0.507 0.020 1.00 0.00 N ATOM 368 CA GLY A 18 -12.450 -0.385 0.859 1.00 0.00 C ATOM 369 C GLY A 18 -13.261 -1.628 1.208 1.00 0.00 C ATOM 370 O GLY A 18 -12.782 -2.753 1.053 1.00 0.00 O ATOM 0 H GLY A 18 -13.381 1.427 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.536 -0.671 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.150 0.131 1.771 1.00 0.00 H new ATOM 374 N GLU A 19 -14.516 -1.446 1.625 1.00 0.00 N ATOM 375 CA GLU A 19 -15.379 -2.559 1.962 1.00 0.00 C ATOM 376 C GLU A 19 -15.586 -3.433 0.724 1.00 0.00 C ATOM 377 O GLU A 19 -15.586 -4.662 0.830 1.00 0.00 O ATOM 378 CB GLU A 19 -16.730 -2.059 2.505 1.00 0.00 C ATOM 379 CG GLU A 19 -17.670 -3.238 2.817 1.00 0.00 C ATOM 380 CD GLU A 19 -19.008 -2.783 3.403 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.051 -2.132 4.473 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.065 -3.082 2.796 1.00 0.00 O ATOM 0 H GLU A 19 -14.951 -0.530 1.735 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.906 -3.152 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.568 -1.470 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.198 -1.400 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.851 -3.805 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.180 -3.913 3.519 1.00 0.00 H new ATOM 389 N LYS A 20 -15.797 -2.830 -0.451 1.00 0.00 N ATOM 390 CA LYS A 20 -16.018 -3.632 -1.644 1.00 0.00 C ATOM 391 C LYS A 20 -14.756 -4.403 -2.025 1.00 0.00 C ATOM 392 O LYS A 20 -14.870 -5.601 -2.259 1.00 0.00 O ATOM 393 CB LYS A 20 -16.449 -2.769 -2.834 1.00 0.00 C ATOM 394 CG LYS A 20 -16.903 -3.635 -4.031 1.00 0.00 C ATOM 395 CD LYS A 20 -18.421 -3.815 -4.143 1.00 0.00 C ATOM 396 CE LYS A 20 -19.181 -2.520 -4.466 1.00 0.00 C ATOM 397 NZ LYS A 20 -18.684 -1.810 -5.670 1.00 0.00 N ATOM 0 H LYS A 20 -15.818 -1.820 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.819 -4.333 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.263 -2.111 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.620 -2.130 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.534 -3.183 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.438 -4.617 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.633 -4.552 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.799 -4.222 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.236 -2.756 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.115 -1.850 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.317 -1.015 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.726 -1.449 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.660 -2.467 -6.476 1.00 0.00 H new ATOM 411 N ILE A 21 -13.572 -3.785 -2.061 1.00 0.00 N ATOM 412 CA ILE A 21 -12.361 -4.507 -2.430 1.00 0.00 C ATOM 413 C ILE A 21 -12.044 -5.568 -1.369 1.00 0.00 C ATOM 414 O ILE A 21 -11.545 -6.642 -1.710 1.00 0.00 O ATOM 415 CB ILE A 21 -11.230 -3.507 -2.768 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.047 -4.118 -3.535 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.688 -2.796 -1.526 1.00 0.00 C ATOM 418 CD1 ILE A 21 -10.388 -4.631 -4.936 1.00 0.00 C ATOM 0 H ILE A 21 -13.431 -2.799 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.496 -5.076 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.718 -2.788 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.260 -3.368 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.640 -4.943 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.897 -2.106 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.493 -2.242 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.287 -3.533 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.492 -5.044 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.150 -5.407 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.765 -3.808 -5.543 1.00 0.00 H new ATOM 430 N ARG A 22 -12.432 -5.344 -0.106 1.00 0.00 N ATOM 431 CA ARG A 22 -12.218 -6.294 0.975 1.00 0.00 C ATOM 432 C ARG A 22 -13.111 -7.495 0.711 1.00 0.00 C ATOM 433 O ARG A 22 -12.643 -8.628 0.688 1.00 0.00 O ATOM 434 CB ARG A 22 -12.551 -5.639 2.333 1.00 0.00 C ATOM 435 CG ARG A 22 -12.408 -6.572 3.546 1.00 0.00 C ATOM 436 CD ARG A 22 -11.081 -7.327 3.505 1.00 0.00 C ATOM 437 NE ARG A 22 -10.743 -7.964 4.781 1.00 0.00 N ATOM 438 CZ ARG A 22 -9.612 -8.643 4.985 1.00 0.00 C ATOM 439 NH1 ARG A 22 -8.691 -8.718 4.030 1.00 0.00 N ATOM 440 NH2 ARG A 22 -9.417 -9.239 6.150 1.00 0.00 N ATOM 0 H ARG A 22 -12.906 -4.490 0.188 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.175 -6.609 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.899 -4.777 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.574 -5.263 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.471 -5.990 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.234 -7.283 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.127 -8.088 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.285 -6.636 3.228 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.406 -7.884 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.846 -8.255 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.829 -9.238 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.127 -9.177 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.557 -9.761 6.318 1.00 0.00 H new ATOM 454 N LYS A 23 -14.402 -7.255 0.470 1.00 0.00 N ATOM 455 CA LYS A 23 -15.344 -8.331 0.203 1.00 0.00 C ATOM 456 C LYS A 23 -15.001 -9.060 -1.087 1.00 0.00 C ATOM 457 O LYS A 23 -15.088 -10.287 -1.109 1.00 0.00 O ATOM 458 CB LYS A 23 -16.784 -7.798 0.167 1.00 0.00 C ATOM 459 CG LYS A 23 -17.256 -7.448 1.582 1.00 0.00 C ATOM 460 CD LYS A 23 -18.756 -7.139 1.634 1.00 0.00 C ATOM 461 CE LYS A 23 -19.247 -7.206 3.082 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.340 -8.600 3.571 1.00 0.00 N ATOM 0 H LYS A 23 -14.814 -6.322 0.455 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.268 -9.051 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.837 -6.915 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.445 -8.546 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.035 -8.279 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.697 -6.586 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.948 -6.149 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.306 -7.853 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.568 -6.642 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.225 -6.730 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.947 -8.632 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.748 -9.202 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.390 -8.947 3.815 1.00 0.00 H new ATOM 476 N LYS A 24 -14.629 -8.349 -2.157 1.00 0.00 N ATOM 477 CA LYS A 24 -14.289 -8.981 -3.425 1.00 0.00 C ATOM 478 C LYS A 24 -13.051 -9.860 -3.275 1.00 0.00 C ATOM 479 O LYS A 24 -13.019 -10.952 -3.841 1.00 0.00 O ATOM 480 CB LYS A 24 -14.200 -7.968 -4.582 1.00 0.00 C ATOM 481 CG LYS A 24 -13.987 -8.770 -5.876 1.00 0.00 C ATOM 482 CD LYS A 24 -14.415 -8.073 -7.174 1.00 0.00 C ATOM 483 CE LYS A 24 -14.379 -9.076 -8.343 1.00 0.00 C ATOM 484 NZ LYS A 24 -15.227 -10.270 -8.123 1.00 0.00 N ATOM 0 H LYS A 24 -14.557 -7.332 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.107 -9.644 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.112 -7.374 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.377 -7.272 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.930 -9.023 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.534 -9.709 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.420 -7.665 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.751 -7.234 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.704 -8.572 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.350 -9.396 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.460 -10.704 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.713 -10.957 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.104 -9.989 -7.640 1.00 0.00 H new ATOM 498 N TYR A 25 -12.053 -9.433 -2.505 1.00 0.00 N ATOM 499 CA TYR A 25 -10.830 -10.185 -2.283 1.00 0.00 C ATOM 500 C TYR A 25 -10.605 -10.326 -0.777 1.00 0.00 C ATOM 501 O TYR A 25 -9.833 -9.556 -0.205 1.00 0.00 O ATOM 502 CB TYR A 25 -9.658 -9.497 -2.987 1.00 0.00 C ATOM 503 CG TYR A 25 -9.642 -9.627 -4.495 1.00 0.00 C ATOM 504 CD1 TYR A 25 -9.108 -10.785 -5.089 1.00 0.00 C ATOM 505 CD2 TYR A 25 -10.126 -8.582 -5.303 1.00 0.00 C ATOM 506 CE1 TYR A 25 -9.055 -10.898 -6.487 1.00 0.00 C ATOM 507 CE2 TYR A 25 -10.089 -8.693 -6.704 1.00 0.00 C ATOM 508 CZ TYR A 25 -9.552 -9.858 -7.299 1.00 0.00 C ATOM 509 OH TYR A 25 -9.527 -10.004 -8.651 1.00 0.00 O ATOM 0 H TYR A 25 -12.076 -8.540 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 25 -10.911 -11.185 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.673 -8.438 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.728 -9.907 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.738 -11.588 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.528 -7.690 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.633 -11.782 -6.941 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.469 -7.893 -7.322 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.904 -9.204 -9.073 1.00 0.00 H new ATOM 519 N PRO A 26 -11.229 -11.316 -0.111 1.00 0.00 N ATOM 520 CA PRO A 26 -11.063 -11.512 1.330 1.00 0.00 C ATOM 521 C PRO A 26 -9.659 -12.015 1.688 1.00 0.00 C ATOM 522 O PRO A 26 -9.274 -11.989 2.856 1.00 0.00 O ATOM 523 CB PRO A 26 -12.143 -12.521 1.724 1.00 0.00 C ATOM 524 CG PRO A 26 -12.341 -13.338 0.452 1.00 0.00 C ATOM 525 CD PRO A 26 -12.154 -12.300 -0.654 1.00 0.00 C ATOM 0 HA PRO A 26 -11.169 -10.573 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.824 -13.146 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.064 -12.025 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.614 -14.147 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.330 -13.794 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.754 -12.758 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.104 -11.839 -0.924 1.00 0.00 H new ATOM 533 N ASP A 27 -8.893 -12.441 0.682 1.00 0.00 N ATOM 534 CA ASP A 27 -7.533 -12.963 0.754 1.00 0.00 C ATOM 535 C ASP A 27 -6.483 -11.901 0.406 1.00 0.00 C ATOM 536 O ASP A 27 -5.286 -12.206 0.396 1.00 0.00 O ATOM 537 CB ASP A 27 -7.388 -14.066 -0.301 1.00 0.00 C ATOM 538 CG ASP A 27 -8.229 -15.297 -0.034 1.00 0.00 C ATOM 539 OD1 ASP A 27 -7.874 -16.057 0.892 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.224 -15.535 -0.757 1.00 0.00 O ATOM 0 H ASP A 27 -9.237 -12.428 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.371 -13.313 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.659 -13.659 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.340 -14.361 -0.360 1.00 0.00 H new ATOM 545 N ARG A 28 -6.904 -10.691 0.017 1.00 0.00 N ATOM 546 CA ARG A 28 -6.026 -9.590 -0.368 1.00 0.00 C ATOM 547 C ARG A 28 -6.386 -8.346 0.436 1.00 0.00 C ATOM 548 O ARG A 28 -7.486 -8.248 0.991 1.00 0.00 O ATOM 549 CB ARG A 28 -6.097 -9.281 -1.880 1.00 0.00 C ATOM 550 CG ARG A 28 -6.098 -10.458 -2.877 1.00 0.00 C ATOM 551 CD ARG A 28 -4.762 -11.198 -3.020 1.00 0.00 C ATOM 552 NE ARG A 28 -4.838 -12.584 -2.521 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.297 -13.648 -3.199 1.00 0.00 C ATOM 554 NH1 ARG A 28 -5.780 -13.511 -4.431 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.258 -14.848 -2.631 1.00 0.00 N ATOM 0 H ARG A 28 -7.893 -10.449 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.002 -9.894 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.001 -8.698 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.251 -8.640 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.860 -11.174 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.393 -10.082 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.464 -11.207 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.989 -10.658 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.510 -12.750 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.804 -12.591 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.126 -14.326 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.882 -14.954 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.604 -15.663 -3.137 1.00 0.00 H new ATOM 569 N VAL A 29 -5.462 -7.393 0.494 1.00 0.00 N ATOM 570 CA VAL A 29 -5.628 -6.140 1.208 1.00 0.00 C ATOM 571 C VAL A 29 -5.172 -4.986 0.296 1.00 0.00 C ATOM 572 O VAL A 29 -4.137 -5.116 -0.375 1.00 0.00 O ATOM 573 CB VAL A 29 -4.873 -6.205 2.557 1.00 0.00 C ATOM 574 CG1 VAL A 29 -5.452 -7.316 3.450 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.357 -6.441 2.447 1.00 0.00 C ATOM 0 H VAL A 29 -4.556 -7.476 0.033 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.674 -5.959 1.455 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.017 -5.214 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.907 -7.345 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.505 -7.114 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.354 -8.277 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.920 -6.470 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.172 -7.389 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.903 -5.631 1.876 1.00 0.00 H new ATOM 585 N PRO A 30 -5.933 -3.879 0.203 1.00 0.00 N ATOM 586 CA PRO A 30 -5.586 -2.724 -0.605 1.00 0.00 C ATOM 587 C PRO A 30 -4.579 -1.867 0.167 1.00 0.00 C ATOM 588 O PRO A 30 -4.823 -1.472 1.317 1.00 0.00 O ATOM 589 CB PRO A 30 -6.908 -1.997 -0.850 1.00 0.00 C ATOM 590 CG PRO A 30 -7.662 -2.238 0.455 1.00 0.00 C ATOM 591 CD PRO A 30 -7.175 -3.615 0.910 1.00 0.00 C ATOM 0 HA PRO A 30 -5.115 -2.977 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.758 -0.935 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.442 -2.404 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.437 -1.470 1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.741 -2.226 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.016 -3.631 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.917 -4.381 0.685 1.00 0.00 H new ATOM 599 N VAL A 31 -3.462 -1.547 -0.482 1.00 0.00 N ATOM 600 CA VAL A 31 -2.406 -0.765 0.127 1.00 0.00 C ATOM 601 C VAL A 31 -2.099 0.471 -0.716 1.00 0.00 C ATOM 602 O VAL A 31 -1.872 0.394 -1.935 1.00 0.00 O ATOM 603 CB VAL A 31 -1.183 -1.672 0.376 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.090 -0.923 1.141 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.539 -2.928 1.192 1.00 0.00 C ATOM 0 H VAL A 31 -3.270 -1.826 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.723 -0.384 1.098 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.831 -1.969 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.760 -1.586 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.230 -0.056 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.481 -0.592 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.644 -3.532 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.940 -2.631 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.286 -3.512 0.654 1.00 0.00 H new ATOM 615 N ILE A 32 -2.065 1.621 -0.047 1.00 0.00 N ATOM 616 CA ILE A 32 -1.766 2.922 -0.621 1.00 0.00 C ATOM 617 C ILE A 32 -0.281 3.080 -0.327 1.00 0.00 C ATOM 618 O ILE A 32 0.155 2.942 0.819 1.00 0.00 O ATOM 619 CB ILE A 32 -2.642 4.038 -0.009 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.124 3.725 -0.320 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.218 5.410 -0.575 1.00 0.00 C ATOM 622 CD1 ILE A 32 -5.107 4.845 0.027 1.00 0.00 C ATOM 0 H ILE A 32 -2.254 1.669 0.954 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.986 2.997 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.511 4.078 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.217 3.497 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.412 2.827 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.840 6.192 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.173 5.598 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.341 5.411 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.120 4.532 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.051 5.061 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.852 5.741 -0.539 1.00 0.00 H new ATOM 634 N VAL A 33 0.498 3.308 -1.380 1.00 0.00 N ATOM 635 CA VAL A 33 1.942 3.446 -1.291 1.00 0.00 C ATOM 636 C VAL A 33 2.368 4.848 -1.677 1.00 0.00 C ATOM 637 O VAL A 33 2.031 5.282 -2.781 1.00 0.00 O ATOM 638 CB VAL A 33 2.572 2.415 -2.243 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.047 2.696 -2.528 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.418 0.986 -1.698 1.00 0.00 C ATOM 0 H VAL A 33 0.137 3.403 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 33 2.274 3.271 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 33 2.028 2.505 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.438 1.936 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.148 3.679 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.609 2.673 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.873 0.280 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.912 0.911 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.359 0.752 -1.585 1.00 0.00 H new ATOM 650 N GLU A 34 3.144 5.516 -0.823 1.00 0.00 N ATOM 651 CA GLU A 34 3.656 6.853 -1.096 1.00 0.00 C ATOM 652 C GLU A 34 5.182 6.871 -0.899 1.00 0.00 C ATOM 653 O GLU A 34 5.754 6.024 -0.203 1.00 0.00 O ATOM 654 CB GLU A 34 2.840 7.901 -0.322 1.00 0.00 C ATOM 655 CG GLU A 34 3.289 8.213 1.110 1.00 0.00 C ATOM 656 CD GLU A 34 4.387 9.270 1.196 1.00 0.00 C ATOM 657 OE1 GLU A 34 4.150 10.388 0.673 1.00 0.00 O ATOM 658 OE2 GLU A 34 5.440 9.007 1.816 1.00 0.00 O ATOM 0 H GLU A 34 3.434 5.141 0.080 1.00 0.00 H new ATOM 0 HA GLU A 34 3.516 7.138 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.855 8.830 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.804 7.565 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.427 8.551 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.644 7.295 1.577 1.00 0.00 H new ATOM 665 N LYS A 35 5.855 7.774 -1.612 1.00 0.00 N ATOM 666 CA LYS A 35 7.302 7.937 -1.564 1.00 0.00 C ATOM 667 C LYS A 35 7.576 9.042 -0.558 1.00 0.00 C ATOM 668 O LYS A 35 7.051 10.141 -0.747 1.00 0.00 O ATOM 669 CB LYS A 35 7.808 8.263 -2.979 1.00 0.00 C ATOM 670 CG LYS A 35 9.333 8.384 -3.106 1.00 0.00 C ATOM 671 CD LYS A 35 9.889 9.799 -2.869 1.00 0.00 C ATOM 672 CE LYS A 35 9.966 10.685 -4.117 1.00 0.00 C ATOM 673 NZ LYS A 35 8.687 11.346 -4.452 1.00 0.00 N ATOM 0 H LYS A 35 5.397 8.424 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 35 7.828 7.037 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.461 7.487 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.355 9.199 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.798 7.702 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.628 8.055 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.266 10.298 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.888 9.713 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.730 11.447 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.285 10.078 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.847 12.055 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.007 10.636 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.305 11.813 -3.605 1.00 0.00 H new ATOM 687 N ALA A 36 8.444 8.772 0.416 1.00 0.00 N ATOM 688 CA ALA A 36 8.797 9.710 1.470 1.00 0.00 C ATOM 689 C ALA A 36 10.005 10.560 1.054 1.00 0.00 C ATOM 690 O ALA A 36 10.743 10.177 0.138 1.00 0.00 O ATOM 691 CB ALA A 36 9.096 8.877 2.722 1.00 0.00 C ATOM 0 H ALA A 36 8.928 7.877 0.492 1.00 0.00 H new ATOM 0 HA ALA A 36 7.983 10.408 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.367 9.540 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.212 8.302 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.922 8.196 2.517 1.00 0.00 H new ATOM 697 N PRO A 37 10.231 11.707 1.720 1.00 0.00 N ATOM 698 CA PRO A 37 11.334 12.596 1.388 1.00 0.00 C ATOM 699 C PRO A 37 12.719 11.965 1.585 1.00 0.00 C ATOM 700 O PRO A 37 12.886 10.950 2.277 1.00 0.00 O ATOM 701 CB PRO A 37 11.110 13.875 2.203 1.00 0.00 C ATOM 702 CG PRO A 37 10.085 13.525 3.282 1.00 0.00 C ATOM 703 CD PRO A 37 9.420 12.244 2.808 1.00 0.00 C ATOM 0 HA PRO A 37 11.336 12.822 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.043 14.219 2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.745 14.682 1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.566 13.383 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.355 14.325 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.348 11.525 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.404 12.443 2.467 1.00 0.00 H new ATOM 711 N LYS A 38 13.730 12.620 0.996 1.00 0.00 N ATOM 712 CA LYS A 38 15.150 12.249 0.998 1.00 0.00 C ATOM 713 C LYS A 38 15.403 10.888 0.326 1.00 0.00 C ATOM 714 O LYS A 38 16.530 10.394 0.376 1.00 0.00 O ATOM 715 CB LYS A 38 15.779 12.368 2.415 1.00 0.00 C ATOM 716 CG LYS A 38 16.245 13.789 2.792 1.00 0.00 C ATOM 717 CD LYS A 38 15.138 14.793 3.145 1.00 0.00 C ATOM 718 CE LYS A 38 14.513 14.523 4.522 1.00 0.00 C ATOM 719 NZ LYS A 38 15.172 15.273 5.613 1.00 0.00 N ATOM 0 H LYS A 38 13.565 13.479 0.472 1.00 0.00 H new ATOM 0 HA LYS A 38 15.673 12.977 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.050 12.031 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.631 11.691 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.923 13.713 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.821 14.193 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.549 15.802 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.360 14.753 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.456 14.788 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.568 13.456 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.708 15.051 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.175 15.003 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.097 16.294 5.427 1.00 0.00 H new ATOM 733 N ALA A 39 14.403 10.258 -0.303 1.00 0.00 N ATOM 734 CA ALA A 39 14.619 8.969 -0.936 1.00 0.00 C ATOM 735 C ALA A 39 15.324 9.145 -2.283 1.00 0.00 C ATOM 736 O ALA A 39 15.303 10.226 -2.872 1.00 0.00 O ATOM 737 CB ALA A 39 13.288 8.233 -1.086 1.00 0.00 C ATOM 0 H ALA A 39 13.453 10.620 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 39 15.269 8.363 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.458 7.267 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.844 8.080 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.612 8.826 -1.701 1.00 0.00 H new ATOM 743 N ARG A 40 15.917 8.072 -2.805 1.00 0.00 N ATOM 744 CA ARG A 40 16.624 8.022 -4.083 1.00 0.00 C ATOM 745 C ARG A 40 16.003 6.835 -4.791 1.00 0.00 C ATOM 746 O ARG A 40 16.546 5.734 -4.777 1.00 0.00 O ATOM 747 CB ARG A 40 18.138 7.903 -3.848 1.00 0.00 C ATOM 748 CG ARG A 40 19.010 8.176 -5.087 1.00 0.00 C ATOM 749 CD ARG A 40 18.851 7.138 -6.208 1.00 0.00 C ATOM 750 NE ARG A 40 19.869 7.315 -7.252 1.00 0.00 N ATOM 751 CZ ARG A 40 19.860 8.192 -8.264 1.00 0.00 C ATOM 752 NH1 ARG A 40 18.808 8.959 -8.522 1.00 0.00 N ATOM 753 NH2 ARG A 40 20.920 8.311 -9.047 1.00 0.00 N ATOM 0 H ARG A 40 15.917 7.172 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 40 16.524 8.921 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.424 8.599 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.356 6.900 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.763 9.162 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.056 8.208 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.928 6.134 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.858 7.225 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 40 20.679 6.697 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.972 8.891 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.835 9.617 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.745 7.735 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.912 8.979 -9.818 1.00 0.00 H new ATOM 767 N VAL A 41 14.809 7.035 -5.333 1.00 0.00 N ATOM 768 CA VAL A 41 14.056 5.999 -6.019 1.00 0.00 C ATOM 769 C VAL A 41 13.458 6.500 -7.331 1.00 0.00 C ATOM 770 O VAL A 41 12.986 7.639 -7.384 1.00 0.00 O ATOM 771 CB VAL A 41 12.979 5.450 -5.070 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.590 4.450 -4.086 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.248 6.554 -4.277 1.00 0.00 C ATOM 0 H VAL A 41 14.331 7.936 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 41 14.735 5.191 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 41 12.242 4.957 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.813 4.072 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.031 3.620 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.362 4.945 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.501 6.100 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.968 7.106 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.758 7.237 -4.971 1.00 0.00 H new ATOM 783 N PRO A 42 13.437 5.668 -8.387 1.00 0.00 N ATOM 784 CA PRO A 42 12.868 6.062 -9.663 1.00 0.00 C ATOM 785 C PRO A 42 11.352 6.184 -9.501 1.00 0.00 C ATOM 786 O PRO A 42 10.737 5.497 -8.675 1.00 0.00 O ATOM 787 CB PRO A 42 13.272 4.958 -10.647 1.00 0.00 C ATOM 788 CG PRO A 42 13.446 3.720 -9.768 1.00 0.00 C ATOM 789 CD PRO A 42 13.949 4.304 -8.449 1.00 0.00 C ATOM 0 HA PRO A 42 13.223 7.027 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.507 4.802 -11.408 1.00 0.00 H new ATOM 0 HB3 PRO A 42 14.195 5.208 -11.170 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.507 3.181 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.160 3.017 -10.197 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.594 3.716 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.038 4.295 -8.409 1.00 0.00 H new ATOM 797 N ASP A 43 10.734 7.035 -10.311 1.00 0.00 N ATOM 798 CA ASP A 43 9.299 7.256 -10.256 1.00 0.00 C ATOM 799 C ASP A 43 8.593 6.198 -11.100 1.00 0.00 C ATOM 800 O ASP A 43 9.040 5.860 -12.200 1.00 0.00 O ATOM 801 CB ASP A 43 8.949 8.656 -10.777 1.00 0.00 C ATOM 802 CG ASP A 43 7.439 8.892 -10.734 1.00 0.00 C ATOM 803 OD1 ASP A 43 6.791 8.439 -9.760 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.889 9.518 -11.667 1.00 0.00 O ATOM 0 H ASP A 43 11.214 7.588 -11.021 1.00 0.00 H new ATOM 0 HA ASP A 43 8.968 7.181 -9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.456 9.410 -10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.310 8.769 -11.799 1.00 0.00 H new ATOM 809 N LEU A 44 7.515 5.637 -10.559 1.00 0.00 N ATOM 810 CA LEU A 44 6.672 4.617 -11.164 1.00 0.00 C ATOM 811 C LEU A 44 5.261 5.121 -10.931 1.00 0.00 C ATOM 812 O LEU A 44 4.912 5.421 -9.788 1.00 0.00 O ATOM 813 CB LEU A 44 6.913 3.258 -10.482 1.00 0.00 C ATOM 814 CG LEU A 44 6.719 2.049 -11.416 1.00 0.00 C ATOM 815 CD1 LEU A 44 7.282 0.796 -10.730 1.00 0.00 C ATOM 816 CD2 LEU A 44 5.250 1.810 -11.781 1.00 0.00 C ATOM 0 H LEU A 44 7.189 5.901 -9.629 1.00 0.00 H new ATOM 0 HA LEU A 44 6.876 4.459 -12.223 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.927 3.237 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.235 3.162 -9.634 1.00 0.00 H new ATOM 0 HG LEU A 44 7.250 2.262 -12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.150 -0.067 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.343 0.938 -10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.753 0.626 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.175 0.946 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.675 1.625 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.854 2.689 -12.289 1.00 0.00 H new ATOM 828 N ASP A 45 4.439 5.167 -11.970 1.00 0.00 N ATOM 829 CA ASP A 45 3.074 5.668 -11.883 1.00 0.00 C ATOM 830 C ASP A 45 2.096 4.700 -11.192 1.00 0.00 C ATOM 831 O ASP A 45 1.125 4.224 -11.788 1.00 0.00 O ATOM 832 CB ASP A 45 2.627 6.155 -13.274 1.00 0.00 C ATOM 833 CG ASP A 45 2.003 7.540 -13.145 1.00 0.00 C ATOM 834 OD1 ASP A 45 0.818 7.628 -12.753 1.00 0.00 O ATOM 835 OD2 ASP A 45 2.728 8.542 -13.352 1.00 0.00 O ATOM 0 H ASP A 45 4.703 4.855 -12.905 1.00 0.00 H new ATOM 0 HA ASP A 45 3.059 6.526 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.480 6.189 -13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.907 5.457 -13.703 1.00 0.00 H new ATOM 840 N LYS A 46 2.329 4.398 -9.909 1.00 0.00 N ATOM 841 CA LYS A 46 1.496 3.509 -9.090 1.00 0.00 C ATOM 842 C LYS A 46 1.075 4.198 -7.786 1.00 0.00 C ATOM 843 O LYS A 46 1.894 4.836 -7.122 1.00 0.00 O ATOM 844 CB LYS A 46 2.234 2.185 -8.841 1.00 0.00 C ATOM 845 CG LYS A 46 3.554 2.371 -8.075 1.00 0.00 C ATOM 846 CD LYS A 46 4.303 1.050 -7.876 1.00 0.00 C ATOM 847 CE LYS A 46 5.521 1.208 -6.956 1.00 0.00 C ATOM 848 NZ LYS A 46 5.175 1.810 -5.652 1.00 0.00 N ATOM 0 H LYS A 46 3.126 4.777 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 46 0.577 3.280 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.585 1.513 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.439 1.704 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.191 3.069 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.347 2.819 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.624 0.309 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.628 0.669 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.976 0.231 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.268 1.828 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.951 1.650 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.025 2.832 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.305 1.372 -5.287 1.00 0.00 H new ATOM 862 N ARG A 47 -0.189 4.028 -7.378 1.00 0.00 N ATOM 863 CA ARG A 47 -0.767 4.613 -6.160 1.00 0.00 C ATOM 864 C ARG A 47 -1.408 3.543 -5.286 1.00 0.00 C ATOM 865 O ARG A 47 -1.095 3.479 -4.089 1.00 0.00 O ATOM 866 CB ARG A 47 -1.823 5.677 -6.534 1.00 0.00 C ATOM 867 CG ARG A 47 -1.238 6.882 -7.277 1.00 0.00 C ATOM 868 CD ARG A 47 -2.297 7.646 -8.074 1.00 0.00 C ATOM 869 NE ARG A 47 -1.667 8.601 -9.003 1.00 0.00 N ATOM 870 CZ ARG A 47 -2.081 8.890 -10.245 1.00 0.00 C ATOM 871 NH1 ARG A 47 -3.199 8.357 -10.722 1.00 0.00 N ATOM 872 NH2 ARG A 47 -1.384 9.720 -11.015 1.00 0.00 N ATOM 0 H ARG A 47 -0.858 3.463 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 47 0.040 5.081 -5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.590 5.214 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.315 6.024 -5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.771 7.556 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.453 6.543 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.915 6.943 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.958 8.179 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.836 9.089 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.749 7.723 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.508 8.581 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.526 10.143 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.708 9.933 -11.959 1.00 0.00 H new ATOM 886 N LYS A 48 -2.270 2.690 -5.849 1.00 0.00 N ATOM 887 CA LYS A 48 -2.965 1.631 -5.117 1.00 0.00 C ATOM 888 C LYS A 48 -2.539 0.259 -5.626 1.00 0.00 C ATOM 889 O LYS A 48 -2.512 0.017 -6.834 1.00 0.00 O ATOM 890 CB LYS A 48 -4.488 1.746 -5.272 1.00 0.00 C ATOM 891 CG LYS A 48 -5.172 3.010 -4.722 1.00 0.00 C ATOM 892 CD LYS A 48 -5.358 4.110 -5.779 1.00 0.00 C ATOM 893 CE LYS A 48 -6.300 5.212 -5.282 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.729 4.856 -5.430 1.00 0.00 N ATOM 0 H LYS A 48 -2.507 2.718 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.698 1.745 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.723 1.673 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.940 0.882 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.146 2.739 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.580 3.405 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.390 4.543 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.758 3.673 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.089 5.418 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.100 6.130 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.256 5.178 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.115 5.315 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.822 3.824 -5.521 1.00 0.00 H new ATOM 908 N TYR A 49 -2.211 -0.637 -4.701 1.00 0.00 N ATOM 909 CA TYR A 49 -1.792 -2.004 -4.964 1.00 0.00 C ATOM 910 C TYR A 49 -2.695 -2.922 -4.151 1.00 0.00 C ATOM 911 O TYR A 49 -3.263 -2.499 -3.142 1.00 0.00 O ATOM 912 CB TYR A 49 -0.325 -2.231 -4.531 1.00 0.00 C ATOM 913 CG TYR A 49 0.731 -2.240 -5.625 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.714 -1.316 -6.683 1.00 0.00 C ATOM 915 CD2 TYR A 49 1.753 -3.208 -5.582 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.661 -1.402 -7.721 1.00 0.00 C ATOM 917 CE2 TYR A 49 2.717 -3.286 -6.601 1.00 0.00 C ATOM 918 CZ TYR A 49 2.667 -2.390 -7.691 1.00 0.00 C ATOM 919 OH TYR A 49 3.587 -2.462 -8.694 1.00 0.00 O ATOM 0 H TYR A 49 -2.232 -0.418 -3.705 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.865 -2.209 -6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.061 -1.454 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.272 -3.183 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.031 -0.534 -6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.796 -3.900 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.617 -0.707 -8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.497 -4.032 -6.551 1.00 0.00 H new ATOM 0 HH TYR A 49 4.208 -3.199 -8.516 1.00 0.00 H new ATOM 929 N LEU A 50 -2.785 -4.186 -4.553 1.00 0.00 N ATOM 930 CA LEU A 50 -3.567 -5.210 -3.878 1.00 0.00 C ATOM 931 C LEU A 50 -2.584 -6.348 -3.650 1.00 0.00 C ATOM 932 O LEU A 50 -2.036 -6.890 -4.616 1.00 0.00 O ATOM 933 CB LEU A 50 -4.793 -5.636 -4.701 1.00 0.00 C ATOM 934 CG LEU A 50 -6.013 -5.873 -3.798 1.00 0.00 C ATOM 935 CD1 LEU A 50 -6.687 -4.531 -3.521 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.023 -6.820 -4.452 1.00 0.00 C ATOM 0 H LEU A 50 -2.301 -4.533 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.993 -4.855 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.026 -4.866 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.564 -6.547 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.672 -6.334 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.555 -4.685 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.982 -3.866 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.005 -4.083 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.872 -6.964 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.369 -6.390 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.547 -7.781 -4.646 1.00 0.00 H new ATOM 948 N VAL A 51 -2.328 -6.691 -2.392 1.00 0.00 N ATOM 949 CA VAL A 51 -1.383 -7.739 -2.006 1.00 0.00 C ATOM 950 C VAL A 51 -2.074 -8.804 -1.147 1.00 0.00 C ATOM 951 O VAL A 51 -3.050 -8.473 -0.477 1.00 0.00 O ATOM 952 CB VAL A 51 -0.178 -7.095 -1.290 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.808 -6.520 -2.315 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.545 -5.971 -0.312 1.00 0.00 C ATOM 0 H VAL A 51 -2.779 -6.241 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.014 -8.252 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 51 0.265 -7.904 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.653 -6.069 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.166 -7.320 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.306 -5.762 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.362 -5.576 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.057 -5.173 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.201 -6.364 0.464 1.00 0.00 H new ATOM 964 N PRO A 52 -1.613 -10.066 -1.167 1.00 0.00 N ATOM 965 CA PRO A 52 -2.198 -11.147 -0.380 1.00 0.00 C ATOM 966 C PRO A 52 -1.878 -10.973 1.102 1.00 0.00 C ATOM 967 O PRO A 52 -0.807 -10.490 1.450 1.00 0.00 O ATOM 968 CB PRO A 52 -1.539 -12.424 -0.916 1.00 0.00 C ATOM 969 CG PRO A 52 -0.158 -11.921 -1.324 1.00 0.00 C ATOM 970 CD PRO A 52 -0.470 -10.560 -1.926 1.00 0.00 C ATOM 0 HA PRO A 52 -3.284 -11.170 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.481 -13.203 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.087 -12.842 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.514 -11.843 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.319 -12.584 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.382 -9.886 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.706 -10.642 -2.987 1.00 0.00 H new ATOM 978 N SER A 53 -2.764 -11.406 1.999 1.00 0.00 N ATOM 979 CA SER A 53 -2.540 -11.311 3.444 1.00 0.00 C ATOM 980 C SER A 53 -1.681 -12.473 3.979 1.00 0.00 C ATOM 981 O SER A 53 -1.273 -12.471 5.143 1.00 0.00 O ATOM 982 CB SER A 53 -3.909 -11.298 4.130 1.00 0.00 C ATOM 983 OG SER A 53 -4.729 -12.361 3.663 1.00 0.00 O ATOM 0 H SER A 53 -3.656 -11.832 1.746 1.00 0.00 H new ATOM 0 HA SER A 53 -1.988 -10.396 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.779 -11.383 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.403 -10.345 3.943 1.00 0.00 H new ATOM 0 HG SER A 53 -5.596 -12.330 4.119 1.00 0.00 H new ATOM 989 N ASP A 54 -1.416 -13.466 3.133 1.00 0.00 N ATOM 990 CA ASP A 54 -0.671 -14.698 3.391 1.00 0.00 C ATOM 991 C ASP A 54 0.763 -14.661 2.846 1.00 0.00 C ATOM 992 O ASP A 54 1.290 -15.692 2.410 1.00 0.00 O ATOM 993 CB ASP A 54 -1.442 -15.909 2.839 1.00 0.00 C ATOM 994 CG ASP A 54 -2.907 -15.963 3.260 1.00 0.00 C ATOM 995 OD1 ASP A 54 -3.195 -16.110 4.468 1.00 0.00 O ATOM 996 OD2 ASP A 54 -3.798 -15.802 2.388 1.00 0.00 O ATOM 0 H ASP A 54 -1.744 -13.427 2.168 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.579 -14.794 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.389 -15.894 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.947 -16.822 3.170 1.00 0.00 H new ATOM 1001 N LEU A 55 1.361 -13.471 2.721 1.00 0.00 N ATOM 1002 CA LEU A 55 2.722 -13.310 2.214 1.00 0.00 C ATOM 1003 C LEU A 55 3.550 -12.500 3.200 1.00 0.00 C ATOM 1004 O LEU A 55 3.046 -11.537 3.786 1.00 0.00 O ATOM 1005 CB LEU A 55 2.651 -12.667 0.828 1.00 0.00 C ATOM 1006 CG LEU A 55 3.955 -12.626 0.012 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.737 -13.948 0.049 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.558 -12.383 -1.445 1.00 0.00 C ATOM 0 H LEU A 55 0.910 -12.591 2.971 1.00 0.00 H new ATOM 0 HA LEU A 55 3.218 -14.275 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.902 -13.202 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.293 -11.644 0.946 1.00 0.00 H new ATOM 0 HG LEU A 55 4.592 -11.850 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.645 -13.850 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.002 -14.185 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.119 -14.748 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.454 -12.346 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.914 -13.193 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.023 -11.436 -1.523 1.00 0.00 H new ATOM 1020 N THR A 56 4.801 -12.907 3.409 1.00 0.00 N ATOM 1021 CA THR A 56 5.704 -12.220 4.310 1.00 0.00 C ATOM 1022 C THR A 56 6.014 -10.854 3.704 1.00 0.00 C ATOM 1023 O THR A 56 6.198 -10.737 2.487 1.00 0.00 O ATOM 1024 CB THR A 56 6.994 -13.036 4.539 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.659 -13.344 3.327 1.00 0.00 O ATOM 1026 CG2 THR A 56 6.702 -14.358 5.250 1.00 0.00 C ATOM 0 H THR A 56 5.210 -13.723 2.955 1.00 0.00 H new ATOM 0 HA THR A 56 5.237 -12.099 5.288 1.00 0.00 H new ATOM 0 HB THR A 56 7.632 -12.403 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.470 -13.859 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.633 -14.907 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.245 -14.157 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.020 -14.954 4.644 1.00 0.00 H new ATOM 1034 N VAL A 57 6.122 -9.821 4.538 1.00 0.00 N ATOM 1035 CA VAL A 57 6.448 -8.491 4.045 1.00 0.00 C ATOM 1036 C VAL A 57 7.811 -8.570 3.351 1.00 0.00 C ATOM 1037 O VAL A 57 7.998 -7.973 2.298 1.00 0.00 O ATOM 1038 CB VAL A 57 6.360 -7.438 5.162 1.00 0.00 C ATOM 1039 CG1 VAL A 57 4.951 -7.410 5.760 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.383 -7.625 6.286 1.00 0.00 C ATOM 0 H VAL A 57 5.989 -9.881 5.548 1.00 0.00 H new ATOM 0 HA VAL A 57 5.717 -8.154 3.310 1.00 0.00 H new ATOM 0 HB VAL A 57 6.595 -6.488 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.906 -6.660 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.230 -7.162 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.713 -8.389 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.252 -6.841 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.236 -8.599 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.391 -7.569 5.874 1.00 0.00 H new ATOM 1050 N GLY A 58 8.728 -9.400 3.865 1.00 0.00 N ATOM 1051 CA GLY A 58 10.048 -9.591 3.298 1.00 0.00 C ATOM 1052 C GLY A 58 9.971 -10.032 1.833 1.00 0.00 C ATOM 1053 O GLY A 58 10.819 -9.613 1.045 1.00 0.00 O ATOM 0 H GLY A 58 8.560 -9.962 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.614 -8.662 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.589 -10.340 3.877 1.00 0.00 H new ATOM 1057 N GLN A 59 9.009 -10.887 1.449 1.00 0.00 N ATOM 1058 CA GLN A 59 8.872 -11.324 0.059 1.00 0.00 C ATOM 1059 C GLN A 59 8.376 -10.164 -0.794 1.00 0.00 C ATOM 1060 O GLN A 59 8.832 -9.996 -1.927 1.00 0.00 O ATOM 1061 CB GLN A 59 7.916 -12.520 -0.084 1.00 0.00 C ATOM 1062 CG GLN A 59 8.637 -13.872 -0.036 1.00 0.00 C ATOM 1063 CD GLN A 59 9.513 -14.150 -1.263 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.951 -13.267 -1.995 1.00 0.00 O ATOM 1065 NE2 GLN A 59 9.905 -15.393 -1.466 1.00 0.00 N ATOM 0 H GLN A 59 8.318 -11.286 2.084 1.00 0.00 H new ATOM 0 HA GLN A 59 9.855 -11.649 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.173 -12.482 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.376 -12.436 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.258 -13.910 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.896 -14.666 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.554 -16.142 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.559 -15.605 -2.219 1.00 0.00 H new ATOM 1074 N PHE A 60 7.432 -9.374 -0.277 1.00 0.00 N ATOM 1075 CA PHE A 60 6.929 -8.225 -1.011 1.00 0.00 C ATOM 1076 C PHE A 60 8.087 -7.246 -1.216 1.00 0.00 C ATOM 1077 O PHE A 60 8.247 -6.726 -2.319 1.00 0.00 O ATOM 1078 CB PHE A 60 5.737 -7.585 -0.289 1.00 0.00 C ATOM 1079 CG PHE A 60 5.324 -6.253 -0.900 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.951 -5.064 -0.489 1.00 0.00 C ATOM 1081 CD2 PHE A 60 4.384 -6.198 -1.947 1.00 0.00 C ATOM 1082 CE1 PHE A 60 5.685 -3.852 -1.145 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.097 -4.979 -2.588 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.752 -3.803 -2.190 1.00 0.00 C ATOM 0 H PHE A 60 7.007 -9.512 0.640 1.00 0.00 H new ATOM 0 HA PHE A 60 6.552 -8.534 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.890 -8.271 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.991 -7.435 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.644 -5.083 0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.879 -7.100 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.202 -2.953 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.372 -4.948 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.539 -2.867 -2.685 1.00 0.00 H new ATOM 1094 N TYR A 61 8.926 -7.040 -0.192 1.00 0.00 N ATOM 1095 CA TYR A 61 10.069 -6.142 -0.258 1.00 0.00 C ATOM 1096 C TYR A 61 10.989 -6.615 -1.388 1.00 0.00 C ATOM 1097 O TYR A 61 11.379 -5.817 -2.238 1.00 0.00 O ATOM 1098 CB TYR A 61 10.881 -6.143 1.058 1.00 0.00 C ATOM 1099 CG TYR A 61 10.281 -5.607 2.352 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.954 -5.146 2.440 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.102 -5.554 3.495 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.440 -4.684 3.662 1.00 0.00 C ATOM 1103 CE2 TYR A 61 10.609 -5.051 4.711 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.268 -4.628 4.802 1.00 0.00 C ATOM 1105 OH TYR A 61 8.755 -4.173 5.975 1.00 0.00 O ATOM 0 H TYR A 61 8.822 -7.501 0.712 1.00 0.00 H new ATOM 0 HA TYR A 61 9.698 -5.132 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.180 -7.174 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.793 -5.576 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.327 -5.148 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.122 -5.904 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.409 -4.371 3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.256 -4.989 5.573 1.00 0.00 H new ATOM 0 HH TYR A 61 9.449 -4.196 6.666 1.00 0.00 H new ATOM 1115 N PHE A 62 11.278 -7.919 -1.449 1.00 0.00 N ATOM 1116 CA PHE A 62 12.139 -8.497 -2.469 1.00 0.00 C ATOM 1117 C PHE A 62 11.574 -8.331 -3.875 1.00 0.00 C ATOM 1118 O PHE A 62 12.302 -7.894 -4.773 1.00 0.00 O ATOM 1119 CB PHE A 62 12.366 -9.990 -2.185 1.00 0.00 C ATOM 1120 CG PHE A 62 13.560 -10.268 -1.303 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.835 -9.882 -1.751 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.424 -10.960 -0.084 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.969 -10.202 -0.996 1.00 0.00 C ATOM 1124 CE2 PHE A 62 14.566 -11.282 0.672 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.838 -10.911 0.205 1.00 0.00 C ATOM 0 H PHE A 62 10.915 -8.602 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 62 13.085 -7.957 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.474 -10.400 -1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.495 -10.515 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.940 -9.338 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.444 -11.243 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.948 -9.902 -1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.465 -11.812 1.607 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.718 -11.173 0.774 1.00 0.00 H new ATOM 1135 N LEU A 63 10.300 -8.679 -4.082 1.00 0.00 N ATOM 1136 CA LEU A 63 9.707 -8.570 -5.405 1.00 0.00 C ATOM 1137 C LEU A 63 9.612 -7.121 -5.840 1.00 0.00 C ATOM 1138 O LEU A 63 10.014 -6.827 -6.968 1.00 0.00 O ATOM 1139 CB LEU A 63 8.377 -9.337 -5.542 1.00 0.00 C ATOM 1140 CG LEU A 63 8.649 -10.740 -6.140 1.00 0.00 C ATOM 1141 CD1 LEU A 63 9.466 -11.655 -5.216 1.00 0.00 C ATOM 1142 CD2 LEU A 63 7.395 -11.478 -6.594 1.00 0.00 C ATOM 0 H LEU A 63 9.674 -9.032 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 63 10.381 -9.069 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.898 -9.432 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.690 -8.784 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 63 9.246 -10.517 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.617 -12.620 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.433 -11.196 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.928 -11.800 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.672 -12.451 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.727 -11.616 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.888 -10.895 -7.363 1.00 0.00 H new ATOM 1154 N ILE A 64 9.136 -6.196 -5.003 1.00 0.00 N ATOM 1155 CA ILE A 64 9.062 -4.814 -5.441 1.00 0.00 C ATOM 1156 C ILE A 64 10.469 -4.274 -5.712 1.00 0.00 C ATOM 1157 O ILE A 64 10.647 -3.585 -6.708 1.00 0.00 O ATOM 1158 CB ILE A 64 8.195 -3.972 -4.489 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.711 -2.720 -5.242 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.891 -3.576 -3.184 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.393 -2.179 -4.691 1.00 0.00 C ATOM 0 H ILE A 64 8.809 -6.375 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 64 8.540 -4.747 -6.396 1.00 0.00 H new ATOM 0 HB ILE A 64 7.356 -4.598 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.474 -1.944 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.588 -2.960 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.209 -2.985 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.181 -4.474 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.779 -2.986 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.097 -1.296 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.621 -2.943 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.520 -1.911 -3.642 1.00 0.00 H new ATOM 1173 N ARG A 65 11.485 -4.651 -4.915 1.00 0.00 N ATOM 1174 CA ARG A 65 12.863 -4.197 -5.111 1.00 0.00 C ATOM 1175 C ARG A 65 13.329 -4.563 -6.518 1.00 0.00 C ATOM 1176 O ARG A 65 13.798 -3.680 -7.245 1.00 0.00 O ATOM 1177 CB ARG A 65 13.781 -4.812 -4.034 1.00 0.00 C ATOM 1178 CG ARG A 65 15.195 -4.221 -4.086 1.00 0.00 C ATOM 1179 CD ARG A 65 16.212 -4.994 -3.232 1.00 0.00 C ATOM 1180 NE ARG A 65 16.452 -6.362 -3.730 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.123 -6.675 -4.847 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.760 -5.722 -5.524 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.124 -7.925 -5.303 1.00 0.00 N ATOM 0 H ARG A 65 11.368 -5.278 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 65 12.910 -3.113 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.351 -4.639 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.833 -5.892 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.537 -4.207 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.160 -3.185 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.155 -4.448 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.853 -5.044 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 65 16.076 -7.133 -3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.736 -4.758 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.272 -5.956 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.612 -8.651 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.637 -8.157 -6.154 1.00 0.00 H new ATOM 1197 N LYS A 66 13.182 -5.828 -6.937 1.00 0.00 N ATOM 1198 CA LYS A 66 13.599 -6.217 -8.283 1.00 0.00 C ATOM 1199 C LYS A 66 12.734 -5.520 -9.335 1.00 0.00 C ATOM 1200 O LYS A 66 13.252 -5.150 -10.387 1.00 0.00 O ATOM 1201 CB LYS A 66 13.696 -7.741 -8.458 1.00 0.00 C ATOM 1202 CG LYS A 66 12.382 -8.537 -8.462 1.00 0.00 C ATOM 1203 CD LYS A 66 12.650 -10.021 -8.762 1.00 0.00 C ATOM 1204 CE LYS A 66 11.401 -10.914 -8.746 1.00 0.00 C ATOM 1205 NZ LYS A 66 10.426 -10.603 -9.817 1.00 0.00 N ATOM 0 H LYS A 66 12.786 -6.581 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 66 14.620 -5.867 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.213 -7.940 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.325 -8.133 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.888 -8.439 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.704 -8.126 -9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.124 -10.100 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.362 -10.403 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.710 -11.955 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.908 -10.814 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.611 -11.245 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.102 -9.620 -9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.879 -10.725 -10.745 1.00 0.00 H new ATOM 1219 N ARG A 67 11.430 -5.330 -9.090 1.00 0.00 N ATOM 1220 CA ARG A 67 10.536 -4.665 -10.039 1.00 0.00 C ATOM 1221 C ARG A 67 10.995 -3.227 -10.271 1.00 0.00 C ATOM 1222 O ARG A 67 11.014 -2.806 -11.424 1.00 0.00 O ATOM 1223 CB ARG A 67 9.063 -4.729 -9.566 1.00 0.00 C ATOM 1224 CG ARG A 67 8.069 -5.237 -10.630 1.00 0.00 C ATOM 1225 CD ARG A 67 7.405 -4.152 -11.489 1.00 0.00 C ATOM 1226 NE ARG A 67 8.394 -3.317 -12.180 1.00 0.00 N ATOM 1227 CZ ARG A 67 8.190 -2.325 -13.049 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.034 -2.189 -13.682 1.00 0.00 N ATOM 1229 NH2 ARG A 67 9.186 -1.476 -13.243 1.00 0.00 N ATOM 0 H ARG A 67 10.970 -5.633 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 67 10.583 -5.194 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.003 -5.378 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.755 -3.734 -9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.593 -5.928 -11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.287 -5.807 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.750 -4.621 -12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.777 -3.523 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 67 9.370 -3.523 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.277 -2.851 -13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.901 -1.423 -14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.064 -1.596 -12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.076 -0.702 -13.898 1.00 0.00 H new ATOM 1243 N ILE A 68 11.370 -2.478 -9.232 1.00 0.00 N ATOM 1244 CA ILE A 68 11.818 -1.090 -9.377 1.00 0.00 C ATOM 1245 C ILE A 68 13.286 -0.988 -9.802 1.00 0.00 C ATOM 1246 O ILE A 68 13.825 0.116 -9.807 1.00 0.00 O ATOM 1247 CB ILE A 68 11.465 -0.233 -8.143 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.312 -0.572 -6.898 1.00 0.00 C ATOM 1249 CG2 ILE A 68 9.950 -0.336 -7.890 1.00 0.00 C ATOM 1250 CD1 ILE A 68 11.987 0.308 -5.687 1.00 0.00 C ATOM 0 H ILE A 68 11.372 -2.814 -8.269 1.00 0.00 H new ATOM 0 HA ILE A 68 11.254 -0.657 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 68 11.720 0.805 -8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.153 -1.617 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.368 -0.463 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.685 0.265 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.410 0.031 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.681 -1.377 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.617 0.018 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.173 1.353 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 68 10.939 0.181 -5.416 1.00 0.00 H new ATOM 1262 N HIS A 69 13.931 -2.123 -10.114 1.00 0.00 N ATOM 1263 CA HIS A 69 15.309 -2.265 -10.577 1.00 0.00 C ATOM 1264 C HIS A 69 16.304 -1.288 -9.931 1.00 0.00 C ATOM 1265 O HIS A 69 17.174 -0.729 -10.607 1.00 0.00 O ATOM 1266 CB HIS A 69 15.317 -2.266 -12.124 1.00 0.00 C ATOM 1267 CG HIS A 69 14.290 -1.384 -12.803 1.00 0.00 C ATOM 1268 ND1 HIS A 69 13.247 -1.826 -13.587 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.190 -0.020 -12.719 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.528 -0.755 -13.951 1.00 0.00 C ATOM 1271 NE2 HIS A 69 13.055 0.368 -13.437 1.00 0.00 N ATOM 0 H HIS A 69 13.464 -3.027 -10.042 1.00 0.00 H new ATOM 0 HA HIS A 69 15.691 -3.226 -10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.307 -1.959 -12.461 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.167 -3.290 -12.466 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.866 0.637 -12.193 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.646 -0.790 -14.573 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.698 1.317 -13.548 1.00 0.00 H new ATOM 1279 N LEU A 70 16.195 -1.072 -8.617 1.00 0.00 N ATOM 1280 CA LEU A 70 17.101 -0.171 -7.912 1.00 0.00 C ATOM 1281 C LEU A 70 18.549 -0.681 -7.998 1.00 0.00 C ATOM 1282 O LEU A 70 18.787 -1.851 -8.325 1.00 0.00 O ATOM 1283 CB LEU A 70 16.594 0.193 -6.506 1.00 0.00 C ATOM 1284 CG LEU A 70 16.284 -0.927 -5.497 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.492 -1.798 -5.140 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.778 -0.270 -4.206 1.00 0.00 C ATOM 0 H LEU A 70 15.489 -1.509 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 70 17.113 0.794 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.338 0.846 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.685 0.782 -6.629 1.00 0.00 H new ATOM 0 HG LEU A 70 15.548 -1.581 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.190 -2.563 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.875 -2.276 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.271 -1.176 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.550 -1.041 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.547 0.393 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.877 0.306 -4.420 1.00 0.00 H new ATOM 1298 N ARG A 71 19.518 0.226 -7.856 1.00 0.00 N ATOM 1299 CA ARG A 71 20.940 -0.113 -7.922 1.00 0.00 C ATOM 1300 C ARG A 71 21.306 -0.982 -6.714 1.00 0.00 C ATOM 1301 O ARG A 71 20.581 -0.987 -5.727 1.00 0.00 O ATOM 1302 CB ARG A 71 21.779 1.176 -7.935 1.00 0.00 C ATOM 1303 CG ARG A 71 21.482 2.170 -9.067 1.00 0.00 C ATOM 1304 CD ARG A 71 21.490 1.606 -10.505 1.00 0.00 C ATOM 1305 NE ARG A 71 22.612 0.696 -10.825 1.00 0.00 N ATOM 1306 CZ ARG A 71 23.921 0.891 -10.615 1.00 0.00 C ATOM 1307 NH1 ARG A 71 24.388 2.053 -10.183 1.00 0.00 N ATOM 1308 NH2 ARG A 71 24.777 -0.099 -10.833 1.00 0.00 N ATOM 0 H ARG A 71 19.338 1.217 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 71 21.148 -0.670 -8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.634 1.688 -6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 71 22.832 0.898 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.504 2.615 -8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.214 2.976 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.554 1.074 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.512 2.442 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 71 22.357 -0.191 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 71 23.746 2.825 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 71 25.389 2.176 -10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.438 -1.004 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.774 0.045 -10.675 1.00 0.00 H new ATOM 1322 N PRO A 72 22.444 -1.688 -6.720 1.00 0.00 N ATOM 1323 CA PRO A 72 22.823 -2.533 -5.593 1.00 0.00 C ATOM 1324 C PRO A 72 23.093 -1.712 -4.327 1.00 0.00 C ATOM 1325 O PRO A 72 22.820 -2.191 -3.224 1.00 0.00 O ATOM 1326 CB PRO A 72 24.048 -3.318 -6.068 1.00 0.00 C ATOM 1327 CG PRO A 72 24.630 -2.440 -7.171 1.00 0.00 C ATOM 1328 CD PRO A 72 23.408 -1.788 -7.795 1.00 0.00 C ATOM 0 HA PRO A 72 22.018 -3.209 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.763 -3.473 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.772 -4.303 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.319 -1.697 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.186 -3.029 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.649 -0.806 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.019 -2.387 -8.619 1.00 0.00 H new ATOM 1336 N GLU A 73 23.616 -0.495 -4.472 1.00 0.00 N ATOM 1337 CA GLU A 73 23.919 0.391 -3.353 1.00 0.00 C ATOM 1338 C GLU A 73 22.676 1.164 -2.882 1.00 0.00 C ATOM 1339 O GLU A 73 22.765 1.875 -1.882 1.00 0.00 O ATOM 1340 CB GLU A 73 25.039 1.356 -3.776 1.00 0.00 C ATOM 1341 CG GLU A 73 26.385 0.643 -3.996 1.00 0.00 C ATOM 1342 CD GLU A 73 27.354 1.527 -4.786 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.799 2.574 -4.266 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.611 1.193 -5.972 1.00 0.00 O ATOM 0 H GLU A 73 23.843 -0.093 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 73 24.250 -0.211 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.747 1.864 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.160 2.124 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.825 0.386 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.222 -0.292 -4.532 1.00 0.00 H new ATOM 1351 N ASP A 74 21.548 1.081 -3.601 1.00 0.00 N ATOM 1352 CA ASP A 74 20.316 1.776 -3.227 1.00 0.00 C ATOM 1353 C ASP A 74 19.643 0.982 -2.117 1.00 0.00 C ATOM 1354 O ASP A 74 19.383 -0.223 -2.261 1.00 0.00 O ATOM 1355 CB ASP A 74 19.326 1.909 -4.392 1.00 0.00 C ATOM 1356 CG ASP A 74 19.673 2.955 -5.444 1.00 0.00 C ATOM 1357 OD1 ASP A 74 20.404 3.923 -5.151 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.176 2.814 -6.590 1.00 0.00 O ATOM 0 H ASP A 74 21.468 0.530 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 74 20.588 2.783 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.242 0.940 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.343 2.145 -3.983 1.00 0.00 H new ATOM 1363 N ALA A 75 19.462 1.619 -0.965 1.00 0.00 N ATOM 1364 CA ALA A 75 18.812 0.988 0.167 1.00 0.00 C ATOM 1365 C ALA A 75 17.305 1.174 -0.007 1.00 0.00 C ATOM 1366 O ALA A 75 16.838 1.996 -0.802 1.00 0.00 O ATOM 1367 CB ALA A 75 19.333 1.596 1.470 1.00 0.00 C ATOM 0 H ALA A 75 19.761 2.579 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 75 19.032 -0.078 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.841 1.118 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.409 1.439 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.121 2.665 1.483 1.00 0.00 H new ATOM 1373 N LEU A 76 16.515 0.390 0.723 1.00 0.00 N ATOM 1374 CA LEU A 76 15.069 0.472 0.650 1.00 0.00 C ATOM 1375 C LEU A 76 14.512 0.074 1.997 1.00 0.00 C ATOM 1376 O LEU A 76 14.752 -1.039 2.468 1.00 0.00 O ATOM 1377 CB LEU A 76 14.576 -0.413 -0.506 1.00 0.00 C ATOM 1378 CG LEU A 76 13.050 -0.555 -0.652 1.00 0.00 C ATOM 1379 CD1 LEU A 76 12.295 0.766 -0.830 1.00 0.00 C ATOM 1380 CD2 LEU A 76 12.781 -1.420 -1.897 1.00 0.00 C ATOM 0 H LEU A 76 16.862 -0.313 1.375 1.00 0.00 H new ATOM 0 HA LEU A 76 14.722 1.483 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.973 -0.011 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.002 -1.408 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 76 12.688 -0.995 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.228 0.565 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.469 1.404 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.650 1.270 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.706 -1.541 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.203 -0.933 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.243 -2.399 -1.767 1.00 0.00 H new ATOM 1392 N PHE A 77 13.736 0.977 2.579 1.00 0.00 N ATOM 1393 CA PHE A 77 13.084 0.828 3.863 1.00 0.00 C ATOM 1394 C PHE A 77 11.601 1.110 3.652 1.00 0.00 C ATOM 1395 O PHE A 77 11.233 1.886 2.762 1.00 0.00 O ATOM 1396 CB PHE A 77 13.718 1.802 4.868 1.00 0.00 C ATOM 1397 CG PHE A 77 15.209 1.600 5.084 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.671 0.473 5.791 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.142 2.520 4.566 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.046 0.286 6.016 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.520 2.322 4.772 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.973 1.213 5.508 1.00 0.00 C ATOM 0 H PHE A 77 13.537 1.877 2.143 1.00 0.00 H new ATOM 0 HA PHE A 77 13.204 -0.177 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.548 2.822 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.208 1.700 5.826 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.963 -0.253 6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.799 3.379 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.390 -0.569 6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.232 3.024 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.030 1.074 5.683 1.00 0.00 H new ATOM 1412 N PHE A 78 10.760 0.467 4.454 1.00 0.00 N ATOM 1413 CA PHE A 78 9.311 0.585 4.424 1.00 0.00 C ATOM 1414 C PHE A 78 8.830 0.821 5.842 1.00 0.00 C ATOM 1415 O PHE A 78 9.309 0.142 6.760 1.00 0.00 O ATOM 1416 CB PHE A 78 8.664 -0.704 3.907 1.00 0.00 C ATOM 1417 CG PHE A 78 9.013 -1.083 2.488 1.00 0.00 C ATOM 1418 CD1 PHE A 78 8.319 -0.501 1.413 1.00 0.00 C ATOM 1419 CD2 PHE A 78 10.009 -2.045 2.243 1.00 0.00 C ATOM 1420 CE1 PHE A 78 8.606 -0.899 0.096 1.00 0.00 C ATOM 1421 CE2 PHE A 78 10.286 -2.449 0.929 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.581 -1.880 -0.142 1.00 0.00 C ATOM 0 H PHE A 78 11.086 -0.178 5.173 1.00 0.00 H new ATOM 0 HA PHE A 78 9.036 1.406 3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.953 -1.524 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.581 -0.602 3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.566 0.251 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.561 -2.473 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.077 -0.450 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.042 -3.198 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.789 -2.198 -1.153 1.00 0.00 H new ATOM 1432 N PHE A 79 7.876 1.739 5.994 1.00 0.00 N ATOM 1433 CA PHE A 79 7.281 2.097 7.269 1.00 0.00 C ATOM 1434 C PHE A 79 5.767 2.175 7.062 1.00 0.00 C ATOM 1435 O PHE A 79 5.296 2.854 6.145 1.00 0.00 O ATOM 1436 CB PHE A 79 7.873 3.425 7.782 1.00 0.00 C ATOM 1437 CG PHE A 79 9.397 3.525 7.765 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.187 2.510 8.332 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.038 4.629 7.170 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.590 2.578 8.274 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.440 4.699 7.107 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.217 3.666 7.652 1.00 0.00 C ATOM 0 H PHE A 79 7.490 2.264 5.210 1.00 0.00 H new ATOM 0 HA PHE A 79 7.500 1.351 8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.468 4.238 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.529 3.583 8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.712 1.670 8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.445 5.431 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.186 1.790 8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.919 5.547 6.640 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.294 3.709 7.592 1.00 0.00 H new ATOM 1452 N VAL A 80 5.002 1.428 7.853 1.00 0.00 N ATOM 1453 CA VAL A 80 3.539 1.363 7.831 1.00 0.00 C ATOM 1454 C VAL A 80 3.076 2.047 9.107 1.00 0.00 C ATOM 1455 O VAL A 80 3.666 1.779 10.148 1.00 0.00 O ATOM 1456 CB VAL A 80 3.052 -0.104 7.739 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.739 -1.068 8.716 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.539 -0.223 7.962 1.00 0.00 C ATOM 0 H VAL A 80 5.405 0.819 8.565 1.00 0.00 H new ATOM 0 HA VAL A 80 3.121 1.861 6.956 1.00 0.00 H new ATOM 0 HB VAL A 80 3.322 -0.396 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.336 -2.072 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.812 -1.079 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.558 -0.739 9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.242 -1.269 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.286 0.158 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.013 0.358 7.204 1.00 0.00 H new ATOM 1468 N ASN A 81 2.062 2.919 9.027 1.00 0.00 N ATOM 1469 CA ASN A 81 1.486 3.674 10.150 1.00 0.00 C ATOM 1470 C ASN A 81 2.563 4.043 11.190 1.00 0.00 C ATOM 1471 O ASN A 81 2.569 3.582 12.335 1.00 0.00 O ATOM 1472 CB ASN A 81 0.283 2.920 10.740 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.611 3.838 11.568 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.142 4.681 12.324 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.918 3.700 11.445 1.00 0.00 N ATOM 0 H ASN A 81 1.601 3.127 8.141 1.00 0.00 H new ATOM 0 HA ASN A 81 1.103 4.626 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.300 2.477 9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.639 2.100 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.547 4.298 11.982 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.299 2.996 10.813 1.00 0.00 H new ATOM 1482 N ASN A 82 3.551 4.816 10.724 1.00 0.00 N ATOM 1483 CA ASN A 82 4.717 5.325 11.451 1.00 0.00 C ATOM 1484 C ASN A 82 5.457 4.256 12.295 1.00 0.00 C ATOM 1485 O ASN A 82 6.076 4.574 13.317 1.00 0.00 O ATOM 1486 CB ASN A 82 4.361 6.556 12.308 1.00 0.00 C ATOM 1487 CG ASN A 82 3.351 7.563 11.776 1.00 0.00 C ATOM 1488 OD1 ASN A 82 2.469 7.968 12.533 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.482 8.025 10.541 1.00 0.00 N ATOM 0 H ASN A 82 3.555 5.125 9.752 1.00 0.00 H new ATOM 0 HA ASN A 82 5.421 5.631 10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.989 6.193 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.287 7.095 12.509 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.841 8.738 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.224 7.668 9.939 1.00 0.00 H new ATOM 1496 N THR A 83 5.443 2.989 11.884 1.00 0.00 N ATOM 1497 CA THR A 83 6.061 1.843 12.548 1.00 0.00 C ATOM 1498 C THR A 83 7.031 1.131 11.593 1.00 0.00 C ATOM 1499 O THR A 83 6.852 1.157 10.370 1.00 0.00 O ATOM 1500 CB THR A 83 4.937 0.881 12.993 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.950 1.548 13.765 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.467 -0.299 13.819 1.00 0.00 C ATOM 0 H THR A 83 4.969 2.718 11.022 1.00 0.00 H new ATOM 0 HA THR A 83 6.632 2.175 13.415 1.00 0.00 H new ATOM 0 HB THR A 83 4.498 0.504 12.069 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.461 2.178 13.196 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.637 -0.944 14.106 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.180 -0.869 13.223 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.961 0.077 14.715 1.00 0.00 H new ATOM 1510 N ILE A 84 8.039 0.453 12.154 1.00 0.00 N ATOM 1511 CA ILE A 84 9.069 -0.302 11.446 1.00 0.00 C ATOM 1512 C ILE A 84 8.889 -1.787 11.817 1.00 0.00 C ATOM 1513 O ILE A 84 9.635 -2.300 12.656 1.00 0.00 O ATOM 1514 CB ILE A 84 10.486 0.246 11.782 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.524 1.793 11.841 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.479 -0.339 10.753 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.922 2.387 12.004 1.00 0.00 C ATOM 0 H ILE A 84 8.161 0.417 13.166 1.00 0.00 H new ATOM 0 HA ILE A 84 8.967 -0.194 10.366 1.00 0.00 H new ATOM 0 HB ILE A 84 10.775 -0.072 12.784 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.079 2.190 10.929 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.902 2.128 12.671 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.483 0.030 10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.471 -1.427 10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.185 -0.033 9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.854 3.474 12.036 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.366 2.024 12.931 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.545 2.087 11.162 1.00 0.00 H new ATOM 1529 N PRO A 85 7.923 -2.518 11.233 1.00 0.00 N ATOM 1530 CA PRO A 85 7.690 -3.930 11.554 1.00 0.00 C ATOM 1531 C PRO A 85 8.837 -4.850 11.085 1.00 0.00 C ATOM 1532 O PRO A 85 9.647 -4.441 10.239 1.00 0.00 O ATOM 1533 CB PRO A 85 6.363 -4.275 10.871 1.00 0.00 C ATOM 1534 CG PRO A 85 6.373 -3.347 9.668 1.00 0.00 C ATOM 1535 CD PRO A 85 6.973 -2.065 10.233 1.00 0.00 C ATOM 0 HA PRO A 85 7.650 -4.087 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.317 -5.323 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.509 -4.089 11.522 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.974 -3.749 8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.370 -3.184 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.464 -1.480 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.206 -1.428 10.674 1.00 0.00 H new ATOM 1543 N PRO A 86 8.907 -6.094 11.597 1.00 0.00 N ATOM 1544 CA PRO A 86 9.933 -7.067 11.232 1.00 0.00 C ATOM 1545 C PRO A 86 9.686 -7.630 9.825 1.00 0.00 C ATOM 1546 O PRO A 86 8.548 -7.654 9.351 1.00 0.00 O ATOM 1547 CB PRO A 86 9.829 -8.161 12.299 1.00 0.00 C ATOM 1548 CG PRO A 86 8.363 -8.129 12.706 1.00 0.00 C ATOM 1549 CD PRO A 86 8.005 -6.656 12.597 1.00 0.00 C ATOM 0 HA PRO A 86 10.928 -6.624 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.113 -9.136 11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.484 -7.958 13.146 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.749 -8.743 12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.218 -8.505 13.719 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.964 -6.529 12.299 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.125 -6.154 13.557 1.00 0.00 H new ATOM 1557 N THR A 87 10.728 -8.140 9.154 1.00 0.00 N ATOM 1558 CA THR A 87 10.573 -8.695 7.805 1.00 0.00 C ATOM 1559 C THR A 87 9.755 -9.997 7.829 1.00 0.00 C ATOM 1560 O THR A 87 9.177 -10.390 6.808 1.00 0.00 O ATOM 1561 CB THR A 87 11.939 -8.907 7.124 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.700 -9.869 7.822 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.763 -7.618 7.038 1.00 0.00 C ATOM 0 H THR A 87 11.679 -8.179 9.521 1.00 0.00 H new ATOM 0 HA THR A 87 10.020 -7.967 7.212 1.00 0.00 H new ATOM 0 HB THR A 87 11.720 -9.248 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.563 -9.991 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.715 -7.827 6.550 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.215 -6.873 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.947 -7.236 8.042 1.00 0.00 H new ATOM 1571 N SER A 88 9.724 -10.679 8.980 1.00 0.00 N ATOM 1572 CA SER A 88 8.998 -11.922 9.194 1.00 0.00 C ATOM 1573 C SER A 88 7.486 -11.705 9.305 1.00 0.00 C ATOM 1574 O SER A 88 6.756 -12.691 9.198 1.00 0.00 O ATOM 1575 CB SER A 88 9.533 -12.604 10.460 1.00 0.00 C ATOM 1576 OG SER A 88 10.908 -12.927 10.338 1.00 0.00 O ATOM 0 H SER A 88 10.223 -10.364 9.812 1.00 0.00 H new ATOM 0 HA SER A 88 9.160 -12.560 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.388 -11.946 11.317 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.961 -13.512 10.654 1.00 0.00 H new ATOM 0 HG SER A 88 11.217 -13.358 11.162 1.00 0.00 H new ATOM 1582 N ALA A 89 7.003 -10.472 9.522 1.00 0.00 N ATOM 1583 CA ALA A 89 5.567 -10.237 9.619 1.00 0.00 C ATOM 1584 C ALA A 89 4.928 -10.532 8.261 1.00 0.00 C ATOM 1585 O ALA A 89 5.611 -10.544 7.230 1.00 0.00 O ATOM 1586 CB ALA A 89 5.292 -8.786 10.037 1.00 0.00 C ATOM 0 H ALA A 89 7.581 -9.639 9.631 1.00 0.00 H new ATOM 0 HA ALA A 89 5.137 -10.893 10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.216 -8.625 10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.750 -8.594 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.714 -8.108 9.296 1.00 0.00 H new ATOM 1592 N THR A 90 3.618 -10.741 8.238 1.00 0.00 N ATOM 1593 CA THR A 90 2.880 -11.009 7.017 1.00 0.00 C ATOM 1594 C THR A 90 2.066 -9.760 6.694 1.00 0.00 C ATOM 1595 O THR A 90 1.792 -8.921 7.563 1.00 0.00 O ATOM 1596 CB THR A 90 1.987 -12.258 7.189 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.017 -11.982 8.178 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.804 -13.466 7.658 1.00 0.00 C ATOM 0 H THR A 90 3.036 -10.729 9.075 1.00 0.00 H new ATOM 0 HA THR A 90 3.554 -11.227 6.189 1.00 0.00 H new ATOM 0 HB THR A 90 1.530 -12.489 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.440 -12.765 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.147 -14.329 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.576 -13.691 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.271 -13.239 8.616 1.00 0.00 H new ATOM 1606 N MET A 91 1.649 -9.644 5.437 1.00 0.00 N ATOM 1607 CA MET A 91 0.827 -8.528 5.003 1.00 0.00 C ATOM 1608 C MET A 91 -0.493 -8.554 5.788 1.00 0.00 C ATOM 1609 O MET A 91 -1.095 -7.511 6.030 1.00 0.00 O ATOM 1610 CB MET A 91 0.569 -8.661 3.501 1.00 0.00 C ATOM 1611 CG MET A 91 1.682 -8.082 2.621 1.00 0.00 C ATOM 1612 SD MET A 91 2.149 -6.342 2.899 1.00 0.00 S ATOM 1613 CE MET A 91 0.531 -5.564 3.186 1.00 0.00 C ATOM 0 H MET A 91 1.870 -10.314 4.701 1.00 0.00 H new ATOM 0 HA MET A 91 1.330 -7.579 5.190 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.440 -9.716 3.258 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.368 -8.161 3.259 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.573 -8.696 2.756 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.378 -8.187 1.580 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.638 -4.480 3.157 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.167 -5.880 2.411 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.150 -5.865 4.162 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.946 -9.747 6.191 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.156 -9.931 6.956 1.00 0.00 C ATOM 1625 C GLY A 92 -1.971 -9.423 8.378 1.00 0.00 C ATOM 1626 O GLY A 92 -2.870 -8.738 8.862 1.00 0.00 O ATOM 0 H GLY A 92 -0.462 -10.621 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.979 -9.400 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.425 -10.987 6.973 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.837 -9.714 9.029 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.563 -9.284 10.398 1.00 0.00 C ATOM 1632 C GLN A 93 -0.616 -7.760 10.502 1.00 0.00 C ATOM 1633 O GLN A 93 -1.291 -7.223 11.381 1.00 0.00 O ATOM 1634 CB GLN A 93 0.790 -9.841 10.868 1.00 0.00 C ATOM 1635 CG GLN A 93 1.054 -9.480 12.339 1.00 0.00 C ATOM 1636 CD GLN A 93 2.368 -10.045 12.872 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.829 -11.100 12.443 1.00 0.00 O ATOM 1638 NE2 GLN A 93 2.994 -9.366 13.821 1.00 0.00 N ATOM 0 H GLN A 93 -0.081 -10.259 8.614 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.334 -9.683 11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.803 -10.924 10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.589 -9.442 10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.064 -8.395 12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.232 -9.852 12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.599 -8.492 14.167 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.871 -9.717 14.206 1.00 0.00 H new ATOM 1647 N LEU A 94 0.094 -7.043 9.624 1.00 0.00 N ATOM 1648 CA LEU A 94 0.049 -5.585 9.694 1.00 0.00 C ATOM 1649 C LEU A 94 -1.354 -5.097 9.329 1.00 0.00 C ATOM 1650 O LEU A 94 -1.851 -4.180 9.967 1.00 0.00 O ATOM 1651 CB LEU A 94 1.175 -4.924 8.883 1.00 0.00 C ATOM 1652 CG LEU A 94 1.081 -5.093 7.356 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.344 -3.944 6.662 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.489 -5.191 6.777 1.00 0.00 C ATOM 0 H LEU A 94 0.683 -7.431 8.887 1.00 0.00 H new ATOM 0 HA LEU A 94 0.243 -5.271 10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.187 -3.859 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.128 -5.333 9.218 1.00 0.00 H new ATOM 0 HG LEU A 94 0.507 -6.002 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.314 -4.127 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.674 -3.879 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.866 -3.007 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.430 -5.311 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.043 -4.282 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.001 -6.050 7.210 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.038 -5.711 8.356 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.378 -5.272 7.986 1.00 0.00 C ATOM 1668 C TYR A 95 -4.380 -5.430 9.138 1.00 0.00 C ATOM 1669 O TYR A 95 -5.254 -4.580 9.308 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.849 -6.008 6.731 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.277 -5.676 6.353 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.552 -4.537 5.575 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.331 -6.496 6.798 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.875 -4.208 5.239 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.658 -6.162 6.486 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.931 -5.015 5.710 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.217 -4.666 5.456 1.00 0.00 O ATOM 0 H TYR A 95 -1.686 -6.504 7.819 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.328 -4.206 7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.191 -5.756 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.762 -7.083 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.740 -3.911 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.119 -7.381 7.379 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.082 -3.344 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.469 -6.782 6.839 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.820 -5.330 5.850 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.333 -6.543 9.876 1.00 0.00 N ATOM 1688 CA GLU A 96 -5.243 -6.759 10.991 1.00 0.00 C ATOM 1689 C GLU A 96 -4.925 -5.832 12.158 1.00 0.00 C ATOM 1690 O GLU A 96 -5.855 -5.292 12.753 1.00 0.00 O ATOM 1691 CB GLU A 96 -5.343 -8.235 11.397 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.079 -8.843 12.010 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.149 -10.365 12.114 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.247 -11.039 11.063 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -4.079 -10.903 13.245 1.00 0.00 O ATOM 0 H GLU A 96 -3.673 -7.304 9.717 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.242 -6.492 10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.159 -8.341 12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.614 -8.817 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.216 -8.563 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.923 -8.422 13.003 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.652 -5.586 12.466 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.310 -4.721 13.596 1.00 0.00 C ATOM 1704 C ASP A 97 -3.421 -3.220 13.294 1.00 0.00 C ATOM 1705 O ASP A 97 -3.952 -2.462 14.109 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.921 -5.057 14.147 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.723 -4.293 15.455 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -2.421 -4.629 16.448 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.983 -3.291 15.448 1.00 0.00 O ATOM 0 H ASP A 97 -2.852 -5.966 11.959 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.061 -4.930 14.357 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.830 -6.130 14.317 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.151 -4.782 13.427 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.055 -2.782 12.091 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.087 -1.372 11.675 1.00 0.00 C ATOM 1716 C ASN A 98 -4.460 -0.987 11.117 1.00 0.00 C ATOM 1717 O ASN A 98 -4.652 0.161 10.718 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.002 -1.079 10.622 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.579 -1.199 11.149 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.219 -2.010 10.688 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.212 -0.385 12.118 1.00 0.00 N ATOM 0 H ASN A 98 -2.720 -3.408 11.358 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.889 -0.772 12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.128 -1.766 9.785 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.151 -0.072 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.738 -0.427 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.878 0.288 12.499 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.409 -1.926 11.102 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.772 -1.786 10.623 1.00 0.00 C ATOM 1730 C HIS A 99 -7.436 -0.457 10.997 1.00 0.00 C ATOM 1731 O HIS A 99 -7.484 -0.078 12.164 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.607 -2.969 11.133 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.969 -2.993 12.601 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.141 -2.737 13.676 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.192 -3.343 13.101 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -7.848 -2.932 14.799 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.113 -3.283 14.497 1.00 0.00 N ATOM 0 H HIS A 99 -5.225 -2.867 11.450 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.726 -1.787 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.533 -2.998 10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.063 -3.886 10.907 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.164 -2.450 13.625 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.062 -3.617 12.523 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.459 -2.823 15.801 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.984 0.231 10.002 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.688 1.503 10.130 1.00 0.00 C ATOM 1747 C GLU A 100 -10.162 1.262 9.762 1.00 0.00 C ATOM 1748 O GLU A 100 -10.535 0.147 9.373 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.976 2.578 9.290 1.00 0.00 C ATOM 1750 CG GLU A 100 -6.723 3.079 10.021 1.00 0.00 C ATOM 1751 CD GLU A 100 -5.930 4.091 9.198 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -5.056 3.666 8.405 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -6.121 5.316 9.390 1.00 0.00 O ATOM 0 H GLU A 100 -7.948 -0.098 9.037 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.673 1.888 11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.699 2.167 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.654 3.411 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.016 3.535 10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.083 2.230 10.261 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.018 2.282 9.865 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.443 2.145 9.568 1.00 0.00 C ATOM 1762 C GLU A 101 -12.720 2.050 8.065 1.00 0.00 C ATOM 1763 O GLU A 101 -13.782 1.560 7.681 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.191 3.396 10.071 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.353 3.486 11.592 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.290 4.638 11.978 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.517 4.512 11.751 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -13.809 5.690 12.482 1.00 0.00 O ATOM 0 H GLU A 101 -10.743 3.220 10.155 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.778 1.231 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.660 4.282 9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.180 3.418 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.750 2.546 11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.378 3.634 12.057 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.782 2.496 7.234 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.839 2.525 5.776 1.00 0.00 C ATOM 1777 C ASP A 102 -11.448 1.241 5.046 1.00 0.00 C ATOM 1778 O ASP A 102 -11.639 1.199 3.835 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.939 3.659 5.261 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.476 3.556 5.714 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -8.981 2.426 5.934 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -8.875 4.625 5.944 1.00 0.00 O ATOM 0 H ASP A 102 -10.902 2.872 7.586 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.896 2.672 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.971 3.667 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.346 4.612 5.598 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.970 0.193 5.727 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.538 -1.074 5.111 1.00 0.00 C ATOM 1789 C TYR A 103 -9.279 -0.922 4.215 1.00 0.00 C ATOM 1790 O TYR A 103 -8.974 -1.835 3.441 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.687 -1.798 4.375 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.866 -2.264 5.206 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.755 -3.463 5.928 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -14.095 -1.575 5.182 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.860 -3.986 6.615 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -15.216 -2.106 5.851 1.00 0.00 C ATOM 1797 CZ TYR A 103 -15.103 -3.321 6.564 1.00 0.00 C ATOM 1798 OH TYR A 103 -16.197 -3.886 7.148 1.00 0.00 O ATOM 0 H TYR A 103 -10.869 0.199 6.742 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.242 -1.714 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.064 -1.130 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.267 -2.668 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.811 -3.987 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.178 -0.639 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.759 -4.899 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -16.161 -1.585 5.819 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.973 -3.300 7.024 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.536 0.186 4.298 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.320 0.470 3.533 1.00 0.00 C ATOM 1810 C PHE A 104 -6.102 0.483 4.451 1.00 0.00 C ATOM 1811 O PHE A 104 -6.226 0.728 5.650 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.426 1.811 2.792 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.104 1.759 1.440 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.338 1.522 0.282 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.481 2.008 1.323 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.946 1.532 -0.986 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -10.088 2.004 0.057 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.327 1.762 -1.095 1.00 0.00 C ATOM 0 H PHE A 104 -8.779 0.947 4.933 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.204 -0.322 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.969 2.513 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.422 2.213 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.278 1.332 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -10.072 2.202 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.353 1.363 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.149 2.189 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.802 1.752 -2.065 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.915 0.201 3.898 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.663 0.201 4.656 1.00 0.00 C ATOM 1830 C LEU A 105 -2.681 1.168 3.991 1.00 0.00 C ATOM 1831 O LEU A 105 -2.502 1.125 2.773 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.130 -1.238 4.783 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.792 -1.665 6.225 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.598 -0.880 6.771 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.984 -1.562 7.190 1.00 0.00 C ATOM 0 H LEU A 105 -4.799 -0.033 2.912 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.818 0.555 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.873 -1.925 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.235 -1.337 4.168 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.528 -2.721 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.385 -1.204 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.726 -1.060 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.832 0.185 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.674 -1.878 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.333 -0.530 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.792 -2.205 6.840 1.00 0.00 H new ATOM 1847 N TYR A 106 -2.027 2.021 4.779 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.077 3.026 4.315 1.00 0.00 C ATOM 1849 C TYR A 106 0.380 2.677 4.623 1.00 0.00 C ATOM 1850 O TYR A 106 0.725 2.364 5.763 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.432 4.351 4.995 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.376 5.419 4.820 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.182 6.000 3.557 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.455 5.777 5.899 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.837 6.947 3.378 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.476 6.726 5.725 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.677 7.312 4.458 1.00 0.00 C ATOM 1858 OH TYR A 106 2.640 8.253 4.281 1.00 0.00 O ATOM 0 H TYR A 106 -2.150 2.030 5.792 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.155 3.084 3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.377 4.716 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.586 4.174 6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.814 5.719 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.307 5.319 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.982 7.401 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.104 7.006 6.558 1.00 0.00 H new ATOM 0 HH TYR A 106 3.126 8.386 5.122 1.00 0.00 H new ATOM 1868 N VAL A 107 1.243 2.711 3.605 1.00 0.00 N ATOM 1869 CA VAL A 107 2.667 2.442 3.742 1.00 0.00 C ATOM 1870 C VAL A 107 3.469 3.458 2.919 1.00 0.00 C ATOM 1871 O VAL A 107 3.059 3.887 1.832 1.00 0.00 O ATOM 1872 CB VAL A 107 2.969 0.969 3.410 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.812 0.671 1.919 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.376 0.535 3.841 1.00 0.00 C ATOM 0 H VAL A 107 0.962 2.930 2.649 1.00 0.00 H new ATOM 0 HA VAL A 107 2.984 2.576 4.776 1.00 0.00 H new ATOM 0 HB VAL A 107 2.234 0.400 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.035 -0.379 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.789 0.885 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.500 1.295 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.530 -0.512 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.118 1.149 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.481 0.660 4.919 1.00 0.00 H new ATOM 1884 N ALA A 108 4.640 3.829 3.426 1.00 0.00 N ATOM 1885 CA ALA A 108 5.552 4.755 2.784 1.00 0.00 C ATOM 1886 C ALA A 108 6.900 4.051 2.610 1.00 0.00 C ATOM 1887 O ALA A 108 7.212 3.121 3.365 1.00 0.00 O ATOM 1888 CB ALA A 108 5.653 6.031 3.613 1.00 0.00 C ATOM 0 H ALA A 108 4.986 3.481 4.320 1.00 0.00 H new ATOM 0 HA ALA A 108 5.193 5.051 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.339 6.726 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.668 6.491 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.024 5.789 4.609 1.00 0.00 H new ATOM 1894 N TYR A 109 7.674 4.449 1.596 1.00 0.00 N ATOM 1895 CA TYR A 109 8.997 3.876 1.320 1.00 0.00 C ATOM 1896 C TYR A 109 10.052 4.975 1.250 1.00 0.00 C ATOM 1897 O TYR A 109 9.727 6.116 0.910 1.00 0.00 O ATOM 1898 CB TYR A 109 9.003 2.938 0.110 1.00 0.00 C ATOM 1899 CG TYR A 109 8.829 3.569 -1.259 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.555 3.969 -1.698 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.930 3.684 -2.128 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.369 4.495 -2.988 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.738 4.142 -3.443 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.464 4.574 -3.872 1.00 0.00 C ATOM 1905 OH TYR A 109 8.284 5.022 -5.145 1.00 0.00 O ATOM 0 H TYR A 109 7.400 5.181 0.940 1.00 0.00 H new ATOM 0 HA TYR A 109 9.263 3.232 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.946 2.390 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.208 2.205 0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.708 3.871 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.920 3.421 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.393 4.837 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.571 4.164 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 109 9.142 5.014 -5.619 1.00 0.00 H new ATOM 1915 N SER A 110 11.299 4.631 1.581 1.00 0.00 N ATOM 1916 CA SER A 110 12.424 5.564 1.611 1.00 0.00 C ATOM 1917 C SER A 110 13.764 4.872 1.311 1.00 0.00 C ATOM 1918 O SER A 110 13.833 3.640 1.335 1.00 0.00 O ATOM 1919 CB SER A 110 12.459 6.251 2.997 1.00 0.00 C ATOM 1920 OG SER A 110 11.658 5.619 3.992 1.00 0.00 O ATOM 0 H SER A 110 11.558 3.679 1.840 1.00 0.00 H new ATOM 0 HA SER A 110 12.280 6.307 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.491 6.283 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.128 7.284 2.885 1.00 0.00 H new ATOM 0 HG SER A 110 11.475 6.254 4.716 1.00 0.00 H new ATOM 1926 N ASP A 111 14.794 5.645 0.941 1.00 0.00 N ATOM 1927 CA ASP A 111 16.158 5.152 0.656 1.00 0.00 C ATOM 1928 C ASP A 111 16.974 5.306 1.940 1.00 0.00 C ATOM 1929 O ASP A 111 17.784 4.447 2.265 1.00 0.00 O ATOM 1930 CB ASP A 111 16.816 5.897 -0.518 1.00 0.00 C ATOM 1931 CG ASP A 111 18.316 5.601 -0.708 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.685 4.689 -1.483 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.127 6.410 -0.207 1.00 0.00 O ATOM 0 H ASP A 111 14.705 6.655 0.827 1.00 0.00 H new ATOM 0 HA ASP A 111 16.114 4.107 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.289 5.638 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.687 6.969 -0.368 1.00 0.00 H new ATOM 1938 N GLU A 112 16.710 6.361 2.717 1.00 0.00 N ATOM 1939 CA GLU A 112 17.368 6.650 3.979 1.00 0.00 C ATOM 1940 C GLU A 112 16.274 6.954 4.999 1.00 0.00 C ATOM 1941 O GLU A 112 15.282 7.625 4.685 1.00 0.00 O ATOM 1942 CB GLU A 112 18.345 7.827 3.823 1.00 0.00 C ATOM 1943 CG GLU A 112 19.092 8.111 5.135 1.00 0.00 C ATOM 1944 CD GLU A 112 20.060 9.296 5.060 1.00 0.00 C ATOM 1945 OE1 GLU A 112 19.644 10.417 4.702 1.00 0.00 O ATOM 1946 OE2 GLU A 112 21.247 9.102 5.415 1.00 0.00 O ATOM 0 H GLU A 112 16.007 7.057 2.469 1.00 0.00 H new ATOM 0 HA GLU A 112 17.962 5.800 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.063 7.604 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.798 8.718 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.362 8.301 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.648 7.219 5.424 1.00 0.00 H new ATOM 1953 N SER A 113 16.417 6.404 6.203 1.00 0.00 N ATOM 1954 CA SER A 113 15.467 6.629 7.281 1.00 0.00 C ATOM 1955 C SER A 113 15.714 8.043 7.806 1.00 0.00 C ATOM 1956 O SER A 113 16.801 8.319 8.325 1.00 0.00 O ATOM 1957 CB SER A 113 15.597 5.552 8.370 1.00 0.00 C ATOM 1958 OG SER A 113 16.936 5.284 8.743 1.00 0.00 O ATOM 0 H SER A 113 17.193 5.792 6.455 1.00 0.00 H new ATOM 0 HA SER A 113 14.440 6.549 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.039 5.869 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.136 4.630 8.015 1.00 0.00 H new ATOM 0 HG SER A 113 17.455 6.115 8.717 1.00 0.00 H new ATOM 1964 N VAL A 114 14.765 8.948 7.574 1.00 0.00 N ATOM 1965 CA VAL A 114 14.792 10.339 8.006 1.00 0.00 C ATOM 1966 C VAL A 114 13.325 10.758 8.120 1.00 0.00 C ATOM 1967 O VAL A 114 12.583 10.556 7.148 1.00 0.00 O ATOM 1968 CB VAL A 114 15.531 11.278 7.022 1.00 0.00 C ATOM 1969 CG1 VAL A 114 15.948 12.541 7.783 1.00 0.00 C ATOM 1970 CG2 VAL A 114 16.771 10.712 6.321 1.00 0.00 C ATOM 0 H VAL A 114 13.918 8.718 7.055 1.00 0.00 H new ATOM 0 HA VAL A 114 15.339 10.420 8.945 1.00 0.00 H new ATOM 0 HB VAL A 114 14.814 11.458 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.471 13.217 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.061 13.037 8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.608 12.268 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.193 11.470 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.513 10.427 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.490 9.836 5.736 1.00 0.00 H new ATOM 1980 N TYR A 115 12.891 11.246 9.282 1.00 0.00 N ATOM 1981 CA TYR A 115 11.524 11.691 9.508 1.00 0.00 C ATOM 1982 C TYR A 115 11.460 13.200 9.368 1.00 0.00 C ATOM 1983 O TYR A 115 12.361 13.887 9.897 1.00 0.00 O ATOM 1984 CB TYR A 115 11.036 11.237 10.887 1.00 0.00 C ATOM 1985 CG TYR A 115 9.562 11.515 11.114 1.00 0.00 C ATOM 1986 CD1 TYR A 115 8.608 11.047 10.192 1.00 0.00 C ATOM 1987 CD2 TYR A 115 9.142 12.302 12.201 1.00 0.00 C ATOM 1988 CE1 TYR A 115 7.255 11.386 10.335 1.00 0.00 C ATOM 1989 CE2 TYR A 115 7.791 12.649 12.360 1.00 0.00 C ATOM 1990 CZ TYR A 115 6.845 12.204 11.412 1.00 0.00 C ATOM 1991 OH TYR A 115 5.562 12.656 11.478 1.00 0.00 O ATOM 0 H TYR A 115 13.491 11.343 10.101 1.00 0.00 H new ATOM 0 HA TYR A 115 10.865 11.244 8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 115 11.220 10.168 10.998 1.00 0.00 H new ATOM 0 HB3 TYR A 115 11.618 11.742 11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.920 10.422 9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.868 12.644 12.923 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.528 11.023 9.624 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.478 13.251 13.200 1.00 0.00 H new ATOM 0 HH TYR A 115 5.449 13.204 12.283 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -25.630 0.209 4.891 1.00 0.00 N ATOM 2003 CA GLY B 722 -26.791 0.291 3.997 1.00 0.00 C ATOM 2004 C GLY B 722 -26.595 -0.625 2.801 1.00 0.00 C ATOM 2005 O GLY B 722 -26.221 -1.790 2.974 1.00 0.00 O ATOM 0 HA2 GLY B 722 -27.695 0.009 4.536 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -26.928 1.318 3.659 1.00 0.00 H new ATOM 2009 N ALA B 723 -26.851 -0.117 1.593 1.00 0.00 N ATOM 2010 CA ALA B 723 -26.722 -0.783 0.298 1.00 0.00 C ATOM 2011 C ALA B 723 -26.057 0.195 -0.680 1.00 0.00 C ATOM 2012 O ALA B 723 -25.767 1.331 -0.302 1.00 0.00 O ATOM 2013 CB ALA B 723 -28.100 -1.249 -0.190 1.00 0.00 C ATOM 0 H ALA B 723 -27.179 0.843 1.489 1.00 0.00 H new ATOM 0 HA ALA B 723 -26.098 -1.673 0.376 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -27.996 -1.744 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -28.525 -1.947 0.532 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -28.760 -0.388 -0.294 1.00 0.00 H new ATOM 2019 N MET B 724 -25.697 -0.252 -1.884 1.00 0.00 N ATOM 2020 CA MET B 724 -25.059 0.579 -2.907 1.00 0.00 C ATOM 2021 C MET B 724 -25.831 0.564 -4.228 1.00 0.00 C ATOM 2022 O MET B 724 -26.791 -0.195 -4.394 1.00 0.00 O ATOM 2023 CB MET B 724 -23.579 0.181 -3.071 1.00 0.00 C ATOM 2024 CG MET B 724 -23.341 -1.258 -3.550 1.00 0.00 C ATOM 2025 SD MET B 724 -23.534 -2.539 -2.278 1.00 0.00 S ATOM 2026 CE MET B 724 -23.034 -3.988 -3.239 1.00 0.00 C ATOM 0 H MET B 724 -25.843 -1.217 -2.181 1.00 0.00 H new ATOM 0 HA MET B 724 -25.084 1.616 -2.571 1.00 0.00 H new ATOM 0 HB2 MET B 724 -23.111 0.865 -3.779 1.00 0.00 H new ATOM 0 HB3 MET B 724 -23.074 0.317 -2.115 1.00 0.00 H new ATOM 0 HG2 MET B 724 -24.032 -1.471 -4.365 1.00 0.00 H new ATOM 0 HG3 MET B 724 -22.333 -1.325 -3.960 1.00 0.00 H new ATOM 0 HE1 MET B 724 -23.142 -4.884 -2.629 1.00 0.00 H new ATOM 0 HE2 MET B 724 -23.665 -4.073 -4.124 1.00 0.00 H new ATOM 0 HE3 MET B 724 -21.993 -3.881 -3.545 1.00 0.00 H new ATOM 2036 N GLY B 725 -25.355 1.358 -5.187 1.00 0.00 N ATOM 2037 CA GLY B 725 -25.892 1.505 -6.534 1.00 0.00 C ATOM 2038 C GLY B 725 -24.854 1.179 -7.617 1.00 0.00 C ATOM 2039 O GLY B 725 -25.236 1.040 -8.783 1.00 0.00 O ATOM 0 H GLY B 725 -24.538 1.948 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -26.754 0.849 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -26.247 2.526 -6.671 1.00 0.00 H new ATOM 2043 N SER B 726 -23.573 1.047 -7.267 1.00 0.00 N ATOM 2044 CA SER B 726 -22.489 0.758 -8.198 1.00 0.00 C ATOM 2045 C SER B 726 -22.464 -0.711 -8.600 1.00 0.00 C ATOM 2046 O SER B 726 -22.439 -1.583 -7.720 1.00 0.00 O ATOM 2047 CB SER B 726 -21.151 1.099 -7.535 1.00 0.00 C ATOM 2048 OG SER B 726 -21.210 2.384 -6.942 1.00 0.00 O ATOM 0 H SER B 726 -23.256 1.141 -6.302 1.00 0.00 H new ATOM 0 HA SER B 726 -22.651 1.360 -9.092 1.00 0.00 H new ATOM 0 HB2 SER B 726 -20.912 0.352 -6.778 1.00 0.00 H new ATOM 0 HB3 SER B 726 -20.352 1.069 -8.276 1.00 0.00 H new ATOM 0 HG SER B 726 -20.350 2.589 -6.520 1.00 0.00 H new ATOM 2054 N ALA B 727 -22.487 -1.003 -9.896 1.00 0.00 N ATOM 2055 CA ALA B 727 -22.424 -2.376 -10.382 1.00 0.00 C ATOM 2056 C ALA B 727 -20.950 -2.816 -10.364 1.00 0.00 C ATOM 2057 O ALA B 727 -20.590 -3.867 -9.822 1.00 0.00 O ATOM 2058 CB ALA B 727 -22.994 -2.440 -11.797 1.00 0.00 C ATOM 0 H ALA B 727 -22.549 -0.301 -10.633 1.00 0.00 H new ATOM 0 HA ALA B 727 -23.012 -3.042 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -22.948 -3.466 -12.162 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -24.031 -2.105 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -22.411 -1.795 -12.454 1.00 0.00 H new ATOM 2064 N SER B 728 -20.078 -1.961 -10.905 1.00 0.00 N ATOM 2065 CA SER B 728 -18.643 -2.173 -10.979 1.00 0.00 C ATOM 2066 C SER B 728 -17.986 -1.903 -9.619 1.00 0.00 C ATOM 2067 O SER B 728 -18.569 -1.232 -8.757 1.00 0.00 O ATOM 2068 CB SER B 728 -18.062 -1.238 -12.046 1.00 0.00 C ATOM 2069 OG SER B 728 -18.759 -1.403 -13.270 1.00 0.00 O ATOM 0 H SER B 728 -20.369 -1.074 -11.316 1.00 0.00 H new ATOM 0 HA SER B 728 -18.442 -3.210 -11.248 1.00 0.00 H new ATOM 0 HB2 SER B 728 -18.136 -0.203 -11.713 1.00 0.00 H new ATOM 0 HB3 SER B 728 -17.003 -1.451 -12.190 1.00 0.00 H new ATOM 0 HG SER B 728 -18.382 -0.801 -13.945 1.00 0.00 H new ATOM 2075 N SER B 729 -16.767 -2.410 -9.432 1.00 0.00 N ATOM 2076 CA SER B 729 -15.983 -2.236 -8.225 1.00 0.00 C ATOM 2077 C SER B 729 -14.709 -1.458 -8.566 1.00 0.00 C ATOM 2078 O SER B 729 -14.330 -1.371 -9.738 1.00 0.00 O ATOM 2079 CB SER B 729 -15.703 -3.615 -7.610 1.00 0.00 C ATOM 2080 OG SER B 729 -15.177 -4.546 -8.541 1.00 0.00 O ATOM 0 H SER B 729 -16.291 -2.968 -10.141 1.00 0.00 H new ATOM 0 HA SER B 729 -16.523 -1.654 -7.478 1.00 0.00 H new ATOM 0 HB2 SER B 729 -15.001 -3.501 -6.784 1.00 0.00 H new ATOM 0 HB3 SER B 729 -16.627 -4.013 -7.191 1.00 0.00 H new ATOM 0 HG SER B 729 -15.018 -5.403 -8.093 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.065 -0.869 -7.561 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.820 -0.120 -7.715 1.00 0.00 C ATOM 2088 C GLU B 730 -11.747 -1.105 -8.190 1.00 0.00 C ATOM 2089 O GLU B 730 -11.805 -2.287 -7.829 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.439 0.560 -6.386 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.532 2.089 -6.484 1.00 0.00 C ATOM 2092 CD GLU B 730 -11.365 2.717 -7.248 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -11.102 2.300 -8.395 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -10.696 3.605 -6.660 1.00 0.00 O ATOM 0 H GLU B 730 -14.400 -0.900 -6.598 1.00 0.00 H new ATOM 0 HA GLU B 730 -12.927 0.678 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.098 0.205 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.424 0.274 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -13.467 2.359 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.568 2.509 -5.479 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.781 -0.639 -8.980 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.716 -1.479 -9.528 1.00 0.00 C ATOM 2103 C ASP B 731 -8.340 -0.935 -9.193 1.00 0.00 C ATOM 2104 O ASP B 731 -8.052 0.229 -9.469 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.866 -1.605 -11.043 1.00 0.00 C ATOM 2106 CG ASP B 731 -8.974 -2.732 -11.555 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -9.411 -3.903 -11.466 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -7.832 -2.488 -12.001 1.00 0.00 O ATOM 0 H ASP B 731 -10.714 0.340 -9.260 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.810 -2.463 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.906 -1.806 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.594 -0.666 -11.525 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.509 -1.769 -8.569 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.149 -1.451 -8.155 1.00 0.00 C ATOM 2115 C TYR B 732 -5.171 -2.426 -8.797 1.00 0.00 C ATOM 2116 O TYR B 732 -5.586 -3.423 -9.397 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.077 -1.395 -6.617 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.036 -0.384 -6.000 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.273 0.843 -6.649 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.726 -0.674 -4.807 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.230 1.737 -6.170 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.659 0.245 -4.288 1.00 0.00 C ATOM 2123 CZ TYR B 732 -8.923 1.452 -4.979 1.00 0.00 C ATOM 2124 OH TYR B 732 -9.823 2.353 -4.507 1.00 0.00 O ATOM 0 H TYR B 732 -7.779 -2.723 -8.330 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.855 -0.462 -8.507 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.296 -2.384 -6.215 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.059 -1.147 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -6.705 1.096 -7.532 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.539 -1.603 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.439 2.647 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.173 0.029 -3.363 1.00 0.00 H new ATOM 0 HH TYR B 732 -9.954 3.063 -5.170 1.00 0.00 H new ATOM 2134 N ILE B 733 -3.874 -2.193 -8.601 1.00 0.00 N ATOM 2135 CA ILE B 733 -2.839 -3.018 -9.203 1.00 0.00 C ATOM 2136 C ILE B 733 -2.631 -4.241 -8.314 1.00 0.00 C ATOM 2137 O ILE B 733 -1.921 -4.187 -7.306 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.554 -2.175 -9.401 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -1.799 -0.867 -10.200 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.458 -3.003 -10.101 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -0.751 0.213 -9.911 1.00 0.00 C ATOM 0 H ILE B 733 -3.517 -1.431 -8.024 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.128 -3.371 -10.193 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.226 -1.892 -8.401 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -1.796 -1.093 -11.266 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -2.789 -0.480 -9.959 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.435 -2.391 -10.229 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.216 -3.874 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.817 -3.330 -11.077 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -0.975 1.104 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -0.770 0.464 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE B 733 0.238 -0.159 -10.179 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.292 -5.347 -8.655 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.158 -6.579 -7.893 1.00 0.00 C ATOM 2155 C ILE B 734 -1.801 -7.159 -8.293 1.00 0.00 C ATOM 2156 O ILE B 734 -1.357 -6.983 -9.430 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.320 -7.570 -8.188 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.698 -6.864 -8.119 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.243 -8.776 -7.223 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.916 -7.791 -8.212 1.00 0.00 C ATOM 0 H ILE B 734 -3.924 -5.411 -9.453 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.211 -6.392 -6.820 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.210 -7.941 -9.207 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.756 -6.308 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.755 -6.135 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.060 -9.465 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.291 -9.289 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.324 -8.425 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.829 -7.199 -8.154 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.892 -8.329 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.894 -8.505 -7.389 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.116 -7.808 -7.355 1.00 0.00 N ATOM 2173 CA ILE B 735 0.173 -8.428 -7.600 1.00 0.00 C ATOM 2174 C ILE B 735 0.224 -9.737 -6.813 1.00 0.00 C ATOM 2175 O ILE B 735 0.325 -9.723 -5.579 1.00 0.00 O ATOM 2176 CB ILE B 735 1.338 -7.434 -7.364 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.715 -8.095 -7.581 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.319 -6.739 -5.992 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.881 -8.719 -8.972 1.00 0.00 C ATOM 0 H ILE B 735 -1.447 -7.916 -6.396 1.00 0.00 H new ATOM 0 HA ILE B 735 0.302 -8.694 -8.649 1.00 0.00 H new ATOM 0 HB ILE B 735 1.177 -6.660 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE B 735 3.495 -7.349 -7.431 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.862 -8.867 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE B 735 2.170 -6.062 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE B 735 0.394 -6.173 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.379 -7.489 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.872 -9.165 -9.055 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.123 -9.489 -9.118 1.00 0.00 H new ATOM 0 HD13 ILE B 735 2.766 -7.947 -9.733 1.00 0.00 H new ATOM 2191 N LEU B 736 0.096 -10.872 -7.502 1.00 0.00 N ATOM 2192 CA LEU B 736 0.132 -12.187 -6.875 1.00 0.00 C ATOM 2193 C LEU B 736 0.716 -13.238 -7.822 1.00 0.00 C ATOM 2194 O LEU B 736 -0.010 -13.760 -8.668 1.00 0.00 O ATOM 2195 CB LEU B 736 -1.265 -12.593 -6.376 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.289 -13.984 -5.705 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -0.191 -14.148 -4.648 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -2.631 -14.175 -5.006 1.00 0.00 C ATOM 0 H LEU B 736 -0.036 -10.901 -8.513 1.00 0.00 H new ATOM 0 HA LEU B 736 0.791 -12.129 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -1.621 -11.847 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -1.959 -12.590 -7.216 1.00 0.00 H new ATOM 0 HG LEU B 736 -1.126 -14.721 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -0.255 -15.144 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU B 736 0.786 -14.019 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -0.322 -13.398 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -2.657 -15.155 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.761 -13.400 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -3.436 -14.106 -5.738 1.00 0.00 H new ATOM 2210 N PRO B 737 2.024 -13.524 -7.748 1.00 0.00 N ATOM 2211 CA PRO B 737 2.637 -14.538 -8.584 1.00 0.00 C ATOM 2212 C PRO B 737 2.398 -15.915 -7.935 1.00 0.00 C ATOM 2213 O PRO B 737 1.782 -16.038 -6.873 1.00 0.00 O ATOM 2214 CB PRO B 737 4.121 -14.164 -8.584 1.00 0.00 C ATOM 2215 CG PRO B 737 4.329 -13.696 -7.144 1.00 0.00 C ATOM 2216 CD PRO B 737 3.013 -12.982 -6.824 1.00 0.00 C ATOM 0 HA PRO B 737 2.239 -14.589 -9.597 1.00 0.00 H new ATOM 0 HB2 PRO B 737 4.756 -15.014 -8.833 1.00 0.00 H new ATOM 0 HB3 PRO B 737 4.344 -13.378 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO B 737 4.509 -14.533 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO B 737 5.184 -13.026 -7.056 1.00 0.00 H new ATOM 0 HD2 PRO B 737 2.717 -13.156 -5.790 1.00 0.00 H new ATOM 0 HD3 PRO B 737 3.114 -11.904 -6.949 1.00 0.00 H new ATOM 2224 N GLU B 738 2.908 -16.962 -8.575 1.00 0.00 N ATOM 2225 CA GLU B 738 2.819 -18.347 -8.113 1.00 0.00 C ATOM 2226 C GLU B 738 4.157 -18.789 -7.512 1.00 0.00 C ATOM 2227 O GLU B 738 4.241 -19.846 -6.888 1.00 0.00 O ATOM 2228 CB GLU B 738 2.465 -19.239 -9.313 1.00 0.00 C ATOM 2229 CG GLU B 738 1.086 -19.892 -9.166 1.00 0.00 C ATOM 2230 CD GLU B 738 1.213 -21.246 -8.475 1.00 0.00 C ATOM 2231 OE1 GLU B 738 1.365 -21.302 -7.235 1.00 0.00 O ATOM 2232 OE2 GLU B 738 1.248 -22.264 -9.207 1.00 0.00 O ATOM 0 H GLU B 738 3.411 -16.870 -9.458 1.00 0.00 H new ATOM 0 HA GLU B 738 2.051 -18.432 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU B 738 2.487 -18.643 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU B 738 3.222 -20.015 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU B 738 0.428 -19.242 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU B 738 0.629 -20.018 -10.148 1.00 0.00 H new ATOM 2239 N SER B 739 5.209 -18.002 -7.725 1.00 0.00 N ATOM 2240 CA SER B 739 6.557 -18.221 -7.274 1.00 0.00 C ATOM 2241 C SER B 739 7.078 -16.822 -6.992 1.00 0.00 C ATOM 2242 O SER B 739 7.605 -16.571 -5.885 1.00 0.00 O ATOM 2243 CB SER B 739 7.307 -18.943 -8.405 1.00 0.00 C ATOM 2244 OG SER B 739 8.641 -19.269 -8.074 1.00 0.00 O ATOM 0 H SER B 739 5.122 -17.136 -8.257 1.00 0.00 H new ATOM 0 HA SER B 739 6.667 -18.842 -6.385 1.00 0.00 H new ATOM 0 HB2 SER B 739 6.770 -19.856 -8.662 1.00 0.00 H new ATOM 0 HB3 SER B 739 7.305 -18.312 -9.294 1.00 0.00 H new ATOM 0 HG SER B 739 9.063 -19.727 -8.831 1.00 0.00 H new TER 2250 SER B 739