USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 71 ASN : amide:sc= -2.36 K(o=-1.9,f=0.3) USER MOD Set 1.2: A 73 THR OG1 : rot -177:sc= 0.503 USER MOD Single : A 6 TYR OH : rot 47:sc= 0.763 USER MOD Single : A 7 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.4!) USER MOD Single : A 11 MET CE :methyl 158:sc= -1.22 (180deg=-1.85) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -165:sc= -0.662 (180deg=-0.906) USER MOD Single : A 64 MET CE :methyl -105:sc= -0.197 (180deg=-2.9!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 0.91 USER MOD Single : A 69 SER OG : rot -134:sc= 1.47 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= -0.0305 (180deg=-0.222) USER MOD Single : A 77 THR OG1 : rot 136:sc= 1.16 USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1.53 K(o=1.5,f=-10!) USER MOD Single : A 87 SER OG : rot 79:sc= 1.09 USER MOD Single : A 90 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.3) USER MOD Single : A 92 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.13) USER MOD Single : A 93 TYR OH : rot -124:sc= 0.958 USER MOD Single : A 96 GLN : amide:sc= -2.15! C(o=-2.1!,f=-6.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00119 USER MOD Single : A 108 MET CE :methyl -163:sc= -0.0273 (180deg=-0.4) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0798) USER MOD Single : A 124 SER OG : rot -26:sc= 0.566 USER MOD Single : A 125 GLN : amide:sc= -3.7! C(o=-3.7!,f=-13!) USER MOD Single : A 128 CYS SG : rot 180:sc= -0.221! USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 1.496 -14.153 6.668 1.00 0.00 N ATOM 23 CA ILE A 3 2.839 -13.565 6.616 1.00 0.00 C ATOM 24 C ILE A 3 2.960 -12.510 7.743 1.00 0.00 C ATOM 25 O ILE A 3 3.361 -11.363 7.531 1.00 0.00 O ATOM 26 CB ILE A 3 3.094 -12.933 5.216 1.00 0.00 C ATOM 27 CG1 ILE A 3 4.557 -12.468 5.077 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.117 -11.784 4.949 1.00 0.00 C ATOM 29 CD1 ILE A 3 4.898 -11.912 3.708 1.00 0.00 C ATOM 0 HA ILE A 3 3.595 -14.335 6.768 1.00 0.00 H new ATOM 0 HB ILE A 3 2.919 -13.700 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.758 -11.705 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.217 -13.309 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.315 -11.359 3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.095 -12.161 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.245 -11.014 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.944 -11.607 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.731 -12.679 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.265 -11.050 3.497 1.00 0.00 H new ATOM 41 N ARG A 4 2.628 -12.938 8.958 1.00 0.00 N ATOM 42 CA ARG A 4 2.329 -12.027 10.069 1.00 0.00 C ATOM 43 C ARG A 4 3.557 -11.306 10.617 1.00 0.00 C ATOM 44 O ARG A 4 3.489 -10.108 10.903 1.00 0.00 O ATOM 45 CB ARG A 4 1.643 -12.797 11.199 1.00 0.00 C ATOM 46 CG ARG A 4 0.322 -13.428 10.783 1.00 0.00 C ATOM 47 CD ARG A 4 -0.364 -14.138 11.942 1.00 0.00 C ATOM 48 NE ARG A 4 -1.664 -14.677 11.548 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.821 -14.043 11.719 1.00 0.00 C ATOM 50 NH1 ARG A 4 -2.848 -12.831 12.269 1.00 0.00 N ATOM 51 NH2 ARG A 4 -3.949 -14.618 11.327 1.00 0.00 N ATOM 0 H ARG A 4 2.558 -13.925 9.204 1.00 0.00 H new ATOM 0 HA ARG A 4 1.668 -11.259 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.314 -13.578 11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.467 -12.121 12.035 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.339 -12.657 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.499 -14.139 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.272 -14.947 12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.494 -13.442 12.771 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.686 -15.600 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.979 -12.384 12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.738 -12.349 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.927 -15.542 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.839 -14.136 11.456 1.00 0.00 H new ATOM 65 N ASP A 5 4.670 -12.025 10.764 1.00 0.00 N ATOM 66 CA ASP A 5 5.855 -11.479 11.440 1.00 0.00 C ATOM 67 C ASP A 5 6.248 -10.128 10.848 1.00 0.00 C ATOM 68 O ASP A 5 6.410 -9.138 11.575 1.00 0.00 O ATOM 69 CB ASP A 5 7.035 -12.456 11.345 1.00 0.00 C ATOM 70 CG ASP A 5 8.238 -12.004 12.168 1.00 0.00 C ATOM 71 OD1 ASP A 5 8.253 -12.257 13.390 1.00 0.00 O ATOM 72 OD2 ASP A 5 9.177 -11.405 11.601 1.00 0.00 O ATOM 0 H ASP A 5 4.779 -12.982 10.427 1.00 0.00 H new ATOM 0 HA ASP A 5 5.601 -11.337 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.715 -13.441 11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.332 -12.561 10.302 1.00 0.00 H new ATOM 77 N TYR A 6 6.352 -10.088 9.518 1.00 0.00 N ATOM 78 CA TYR A 6 6.703 -8.860 8.810 1.00 0.00 C ATOM 79 C TYR A 6 5.622 -7.803 9.032 1.00 0.00 C ATOM 80 O TYR A 6 5.927 -6.633 9.252 1.00 0.00 O ATOM 81 CB TYR A 6 6.909 -9.133 7.298 1.00 0.00 C ATOM 82 CG TYR A 6 5.922 -8.415 6.385 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.158 -7.113 5.948 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.748 -9.035 5.976 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.253 -6.459 5.132 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.841 -8.386 5.163 1.00 0.00 C ATOM 87 CZ TYR A 6 4.095 -7.100 4.745 1.00 0.00 C ATOM 88 OH TYR A 6 3.192 -6.457 3.933 1.00 0.00 O ATOM 0 H TYR A 6 6.198 -10.893 8.911 1.00 0.00 H new ATOM 0 HA TYR A 6 7.645 -8.484 9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.921 -8.836 7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.833 -10.206 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.062 -6.606 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.541 -10.044 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.452 -5.451 4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.934 -8.886 4.856 1.00 0.00 H new ATOM 0 HH TYR A 6 3.665 -6.043 3.181 1.00 0.00 H new ATOM 98 N ASN A 7 4.359 -8.232 8.989 1.00 0.00 N ATOM 99 CA ASN A 7 3.237 -7.313 9.160 1.00 0.00 C ATOM 100 C ASN A 7 3.381 -6.565 10.472 1.00 0.00 C ATOM 101 O ASN A 7 3.736 -5.386 10.486 1.00 0.00 O ATOM 102 CB ASN A 7 1.880 -8.043 9.113 1.00 0.00 C ATOM 103 CG ASN A 7 1.323 -8.156 7.707 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.624 -7.261 7.233 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.615 -9.255 7.033 1.00 0.00 N ATOM 0 H ASN A 7 4.091 -9.204 8.838 1.00 0.00 H new ATOM 0 HA ASN A 7 3.257 -6.607 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.995 -9.041 9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.165 -7.512 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.257 -9.383 6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.198 -9.975 7.460 1.00 0.00 H new ATOM 112 N ASP A 8 3.161 -7.271 11.570 1.00 0.00 N ATOM 113 CA ASP A 8 3.218 -6.656 12.884 1.00 0.00 C ATOM 114 C ASP A 8 4.543 -5.918 13.068 1.00 0.00 C ATOM 115 O ASP A 8 4.569 -4.688 13.160 1.00 0.00 O ATOM 116 CB ASP A 8 3.024 -7.712 13.983 1.00 0.00 C ATOM 117 CG ASP A 8 1.655 -8.377 13.913 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.673 -7.787 14.417 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.553 -9.491 13.351 1.00 0.00 O ATOM 0 H ASP A 8 2.942 -8.267 11.576 1.00 0.00 H new ATOM 0 HA ASP A 8 2.408 -5.931 12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.800 -8.473 13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.148 -7.244 14.959 1.00 0.00 H new ATOM 124 N ALA A 9 5.645 -6.664 13.037 1.00 0.00 N ATOM 125 CA ALA A 9 6.955 -6.095 13.330 1.00 0.00 C ATOM 126 C ALA A 9 7.345 -5.021 12.311 1.00 0.00 C ATOM 127 O ALA A 9 7.414 -3.831 12.639 1.00 0.00 O ATOM 128 CB ALA A 9 8.011 -7.195 13.380 1.00 0.00 C ATOM 0 H ALA A 9 5.656 -7.659 12.813 1.00 0.00 H new ATOM 0 HA ALA A 9 6.898 -5.615 14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.984 -6.756 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.753 -7.912 14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.052 -7.704 12.417 1.00 0.00 H new ATOM 134 N ASP A 10 7.551 -5.436 11.065 1.00 0.00 N ATOM 135 CA ASP A 10 8.148 -4.562 10.058 1.00 0.00 C ATOM 136 C ASP A 10 7.187 -3.434 9.674 1.00 0.00 C ATOM 137 O ASP A 10 7.590 -2.271 9.613 1.00 0.00 O ATOM 138 CB ASP A 10 8.573 -5.379 8.821 1.00 0.00 C ATOM 139 CG ASP A 10 9.531 -4.634 7.896 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.629 -4.242 8.354 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.214 -4.472 6.697 1.00 0.00 O ATOM 0 H ASP A 10 7.315 -6.369 10.728 1.00 0.00 H new ATOM 0 HA ASP A 10 9.040 -4.103 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.046 -6.304 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.683 -5.660 8.258 1.00 0.00 H new ATOM 146 N MET A 11 5.902 -3.754 9.472 1.00 0.00 N ATOM 147 CA MET A 11 4.946 -2.740 9.026 1.00 0.00 C ATOM 148 C MET A 11 4.659 -1.738 10.142 1.00 0.00 C ATOM 149 O MET A 11 4.659 -0.537 9.898 1.00 0.00 O ATOM 150 CB MET A 11 3.628 -3.360 8.532 1.00 0.00 C ATOM 151 CG MET A 11 3.766 -4.286 7.325 1.00 0.00 C ATOM 152 SD MET A 11 3.290 -3.511 5.762 1.00 0.00 S ATOM 153 CE MET A 11 4.608 -2.326 5.515 1.00 0.00 C ATOM 0 H MET A 11 5.510 -4.686 9.607 1.00 0.00 H new ATOM 0 HA MET A 11 5.407 -2.222 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.177 -3.920 9.351 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.938 -2.556 8.278 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.800 -4.625 7.253 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.151 -5.172 7.484 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.671 -2.067 4.458 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.403 -1.427 6.097 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.554 -2.761 5.840 1.00 0.00 H new ATOM 163 N ALA A 12 4.428 -2.214 11.373 1.00 0.00 N ATOM 164 CA ALA A 12 4.122 -1.292 12.471 1.00 0.00 C ATOM 165 C ALA A 12 5.311 -0.379 12.749 1.00 0.00 C ATOM 166 O ALA A 12 5.151 0.823 12.966 1.00 0.00 O ATOM 167 CB ALA A 12 3.719 -2.045 13.732 1.00 0.00 C ATOM 0 H ALA A 12 4.446 -3.201 11.628 1.00 0.00 H new ATOM 0 HA ALA A 12 3.275 -0.678 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.499 -1.332 14.527 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.833 -2.647 13.529 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.536 -2.695 14.044 1.00 0.00 H new ATOM 173 N ARG A 13 6.509 -0.955 12.716 1.00 0.00 N ATOM 174 CA ARG A 13 7.728 -0.207 13.023 1.00 0.00 C ATOM 175 C ARG A 13 8.207 0.605 11.818 1.00 0.00 C ATOM 176 O ARG A 13 9.076 1.470 11.952 1.00 0.00 O ATOM 177 CB ARG A 13 8.803 -1.169 13.540 1.00 0.00 C ATOM 178 CG ARG A 13 8.351 -1.877 14.813 1.00 0.00 C ATOM 179 CD ARG A 13 9.321 -2.948 15.287 1.00 0.00 C ATOM 180 NE ARG A 13 8.740 -3.699 16.402 1.00 0.00 N ATOM 181 CZ ARG A 13 8.967 -4.988 16.645 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.842 -5.664 15.915 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.320 -5.600 17.626 1.00 0.00 N ATOM 0 H ARG A 13 6.664 -1.935 12.480 1.00 0.00 H new ATOM 0 HA ARG A 13 7.512 0.517 13.809 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.031 -1.908 12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.723 -0.618 13.735 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.222 -1.138 15.604 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.376 -2.332 14.640 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.556 -3.625 14.466 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.259 -2.488 15.598 1.00 0.00 H new ATOM 0 HE ARG A 13 8.118 -3.199 17.037 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.346 -5.197 15.162 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.011 -6.651 16.107 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.649 -5.083 18.194 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.493 -6.588 17.813 1.00 0.00 H new ATOM 197 N LEU A 14 7.645 0.323 10.644 1.00 0.00 N ATOM 198 CA LEU A 14 7.842 1.178 9.472 1.00 0.00 C ATOM 199 C LEU A 14 6.882 2.367 9.522 1.00 0.00 C ATOM 200 O LEU A 14 7.302 3.525 9.477 1.00 0.00 O ATOM 201 CB LEU A 14 7.625 0.369 8.177 1.00 0.00 C ATOM 202 CG LEU A 14 7.242 1.181 6.921 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.271 2.269 6.623 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.073 0.252 5.720 1.00 0.00 C ATOM 0 H LEU A 14 7.050 -0.489 10.478 1.00 0.00 H new ATOM 0 HA LEU A 14 8.865 1.553 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.539 -0.184 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.843 -0.367 8.360 1.00 0.00 H new ATOM 0 HG LEU A 14 6.291 1.675 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.970 2.821 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.333 2.953 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.246 1.811 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.803 0.838 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.009 -0.273 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.286 -0.473 5.928 1.00 0.00 H new ATOM 216 N LEU A 15 5.594 2.069 9.656 1.00 0.00 N ATOM 217 CA LEU A 15 4.564 3.098 9.659 1.00 0.00 C ATOM 218 C LEU A 15 4.701 4.000 10.876 1.00 0.00 C ATOM 219 O LEU A 15 4.292 5.153 10.836 1.00 0.00 O ATOM 220 CB LEU A 15 3.155 2.481 9.595 1.00 0.00 C ATOM 221 CG LEU A 15 2.662 2.098 8.182 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.638 3.323 7.270 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.520 0.995 7.572 1.00 0.00 C ATOM 0 H LEU A 15 5.239 1.119 9.764 1.00 0.00 H new ATOM 0 HA LEU A 15 4.703 3.706 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.139 1.589 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.448 3.188 10.029 1.00 0.00 H new ATOM 0 HG LEU A 15 1.646 1.715 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.288 3.032 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.966 4.074 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.643 3.739 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.145 0.750 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.552 1.337 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.477 0.108 8.205 1.00 0.00 H new ATOM 235 N GLU A 16 5.296 3.475 11.949 1.00 0.00 N ATOM 236 CA GLU A 16 5.552 4.268 13.151 1.00 0.00 C ATOM 237 C GLU A 16 6.283 5.563 12.778 1.00 0.00 C ATOM 238 O GLU A 16 5.958 6.652 13.273 1.00 0.00 O ATOM 239 CB GLU A 16 6.387 3.457 14.156 1.00 0.00 C ATOM 240 CG GLU A 16 6.410 4.044 15.562 1.00 0.00 C ATOM 241 CD GLU A 16 5.049 3.985 16.243 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.182 4.822 15.924 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.843 3.101 17.102 1.00 0.00 O ATOM 0 H GLU A 16 5.609 2.506 12.009 1.00 0.00 H new ATOM 0 HA GLU A 16 4.599 4.522 13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.993 2.442 14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.410 3.385 13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.138 3.503 16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.743 5.081 15.514 1.00 0.00 H new ATOM 250 N GLN A 17 7.256 5.432 11.874 1.00 0.00 N ATOM 251 CA GLN A 17 7.991 6.580 11.353 1.00 0.00 C ATOM 252 C GLN A 17 7.042 7.532 10.631 1.00 0.00 C ATOM 253 O GLN A 17 7.048 8.738 10.887 1.00 0.00 O ATOM 254 CB GLN A 17 9.112 6.123 10.407 1.00 0.00 C ATOM 255 CG GLN A 17 9.673 7.236 9.525 1.00 0.00 C ATOM 256 CD GLN A 17 10.930 6.821 8.787 1.00 0.00 C ATOM 257 OE1 GLN A 17 12.039 7.033 9.273 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.772 6.214 7.620 1.00 0.00 N ATOM 0 H GLN A 17 7.552 4.536 11.487 1.00 0.00 H new ATOM 0 HA GLN A 17 8.445 7.108 12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.923 5.699 10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.732 5.325 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.915 7.538 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.890 8.108 10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.835 6.056 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.588 5.904 7.092 1.00 0.00 H new ATOM 267 N TRP A 18 6.220 6.975 9.747 1.00 0.00 N ATOM 268 CA TRP A 18 5.258 7.756 8.974 1.00 0.00 C ATOM 269 C TRP A 18 4.306 8.513 9.896 1.00 0.00 C ATOM 270 O TRP A 18 3.965 9.672 9.639 1.00 0.00 O ATOM 271 CB TRP A 18 4.471 6.843 8.024 1.00 0.00 C ATOM 272 CG TRP A 18 5.280 6.361 6.854 1.00 0.00 C ATOM 273 CD1 TRP A 18 6.299 5.449 6.867 1.00 0.00 C ATOM 274 CD2 TRP A 18 5.129 6.773 5.491 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.795 5.279 5.596 1.00 0.00 N ATOM 276 CE2 TRP A 18 6.091 6.079 4.736 1.00 0.00 C ATOM 277 CE3 TRP A 18 4.271 7.665 4.839 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.219 6.248 3.361 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.401 7.832 3.473 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.366 7.126 2.747 1.00 0.00 C ATOM 0 H TRP A 18 6.201 5.975 9.546 1.00 0.00 H new ATOM 0 HA TRP A 18 5.809 8.486 8.381 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.103 5.982 8.581 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.598 7.381 7.655 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.661 4.937 7.747 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.562 4.659 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.522 8.212 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.964 5.706 2.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.746 8.519 2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.440 7.276 1.680 1.00 0.00 H new ATOM 291 N GLU A 19 3.885 7.855 10.974 1.00 0.00 N ATOM 292 CA GLU A 19 3.005 8.473 11.954 1.00 0.00 C ATOM 293 C GLU A 19 3.693 9.682 12.575 1.00 0.00 C ATOM 294 O GLU A 19 3.126 10.775 12.630 1.00 0.00 O ATOM 295 CB GLU A 19 2.615 7.472 13.054 1.00 0.00 C ATOM 296 CG GLU A 19 1.962 6.195 12.535 1.00 0.00 C ATOM 297 CD GLU A 19 0.841 6.467 11.544 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.156 7.115 11.931 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.959 6.051 10.372 1.00 0.00 O ATOM 0 H GLU A 19 4.142 6.891 11.188 1.00 0.00 H new ATOM 0 HA GLU A 19 2.096 8.793 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.507 7.206 13.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.931 7.960 13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.719 5.573 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.567 5.627 13.377 1.00 0.00 H new ATOM 306 N LYS A 20 4.932 9.478 13.020 1.00 0.00 N ATOM 307 CA LYS A 20 5.712 10.552 13.623 1.00 0.00 C ATOM 308 C LYS A 20 5.921 11.696 12.634 1.00 0.00 C ATOM 309 O LYS A 20 5.863 12.866 13.011 1.00 0.00 O ATOM 310 CB LYS A 20 7.061 10.025 14.130 1.00 0.00 C ATOM 311 CG LYS A 20 7.961 11.115 14.711 1.00 0.00 C ATOM 312 CD LYS A 20 9.135 10.539 15.497 1.00 0.00 C ATOM 313 CE LYS A 20 10.030 11.639 16.056 1.00 0.00 C ATOM 314 NZ LYS A 20 11.019 11.116 17.033 1.00 0.00 N ATOM 0 H LYS A 20 5.414 8.580 12.974 1.00 0.00 H new ATOM 0 HA LYS A 20 5.152 10.937 14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.883 9.267 14.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.582 9.534 13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.340 11.740 13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.372 11.760 15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.759 9.924 16.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.721 9.886 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.556 12.129 15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.413 12.398 16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.605 11.899 17.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.519 10.671 17.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.626 10.411 16.569 1.00 0.00 H new ATOM 328 N ASP A 21 6.141 11.353 11.367 1.00 0.00 N ATOM 329 CA ASP A 21 6.364 12.356 10.322 1.00 0.00 C ATOM 330 C ASP A 21 5.127 13.229 10.141 1.00 0.00 C ATOM 331 O ASP A 21 5.230 14.453 10.009 1.00 0.00 O ATOM 332 CB ASP A 21 6.747 11.688 8.988 1.00 0.00 C ATOM 333 CG ASP A 21 8.204 11.930 8.623 1.00 0.00 C ATOM 334 OD1 ASP A 21 9.084 11.186 9.111 1.00 0.00 O ATOM 335 OD2 ASP A 21 8.475 12.887 7.867 1.00 0.00 O ATOM 0 H ASP A 21 6.170 10.388 11.036 1.00 0.00 H new ATOM 0 HA ASP A 21 7.193 12.989 10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.564 10.616 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.106 12.072 8.194 1.00 0.00 H new ATOM 340 N ASP A 22 3.960 12.593 10.137 1.00 0.00 N ATOM 341 CA ASP A 22 2.693 13.311 10.034 1.00 0.00 C ATOM 342 C ASP A 22 2.501 14.226 11.246 1.00 0.00 C ATOM 343 O ASP A 22 2.041 15.362 11.110 1.00 0.00 O ATOM 344 CB ASP A 22 1.526 12.319 9.903 1.00 0.00 C ATOM 345 CG ASP A 22 0.161 12.984 10.006 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.320 13.532 8.993 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.445 12.951 11.100 1.00 0.00 O ATOM 0 H ASP A 22 3.865 11.580 10.204 1.00 0.00 H new ATOM 0 HA ASP A 22 2.712 13.932 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.601 11.804 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.613 11.560 10.681 1.00 0.00 H new ATOM 352 N ASP A 23 2.881 13.735 12.427 1.00 0.00 N ATOM 353 CA ASP A 23 2.838 14.547 13.648 1.00 0.00 C ATOM 354 C ASP A 23 3.756 15.760 13.516 1.00 0.00 C ATOM 355 O ASP A 23 3.376 16.881 13.860 1.00 0.00 O ATOM 356 CB ASP A 23 3.255 13.729 14.881 1.00 0.00 C ATOM 357 CG ASP A 23 2.216 12.707 15.310 1.00 0.00 C ATOM 358 OD1 ASP A 23 1.098 13.112 15.691 1.00 0.00 O ATOM 359 OD2 ASP A 23 2.520 11.495 15.304 1.00 0.00 O ATOM 0 H ASP A 23 3.221 12.783 12.565 1.00 0.00 H new ATOM 0 HA ASP A 23 1.809 14.879 13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.192 13.215 14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.448 14.409 15.710 1.00 0.00 H new ATOM 364 N ILE A 24 4.966 15.525 13.017 1.00 0.00 N ATOM 365 CA ILE A 24 5.951 16.589 12.831 1.00 0.00 C ATOM 366 C ILE A 24 5.425 17.638 11.853 1.00 0.00 C ATOM 367 O ILE A 24 5.661 18.835 12.025 1.00 0.00 O ATOM 368 CB ILE A 24 7.310 16.031 12.327 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.932 15.101 13.385 1.00 0.00 C ATOM 370 CG2 ILE A 24 8.275 17.167 11.975 1.00 0.00 C ATOM 371 CD1 ILE A 24 9.234 14.456 12.949 1.00 0.00 C ATOM 0 H ILE A 24 5.291 14.601 12.732 1.00 0.00 H new ATOM 0 HA ILE A 24 6.117 17.054 13.803 1.00 0.00 H new ATOM 0 HB ILE A 24 7.126 15.455 11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.108 15.671 14.297 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.215 14.318 13.632 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.218 16.748 11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.839 17.785 11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.455 17.778 12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.609 13.816 13.748 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.062 13.857 12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.969 15.231 12.730 1.00 0.00 H new ATOM 383 N GLU A 25 4.695 17.184 10.839 1.00 0.00 N ATOM 384 CA GLU A 25 4.096 18.091 9.870 1.00 0.00 C ATOM 385 C GLU A 25 2.995 18.910 10.551 1.00 0.00 C ATOM 386 O GLU A 25 2.914 20.130 10.384 1.00 0.00 O ATOM 387 CB GLU A 25 3.532 17.313 8.667 1.00 0.00 C ATOM 388 CG GLU A 25 3.700 18.032 7.329 1.00 0.00 C ATOM 389 CD GLU A 25 3.163 19.459 7.332 1.00 0.00 C ATOM 390 OE1 GLU A 25 1.941 19.646 7.148 1.00 0.00 O ATOM 391 OE2 GLU A 25 3.963 20.399 7.518 1.00 0.00 O ATOM 0 H GLU A 25 4.505 16.196 10.668 1.00 0.00 H new ATOM 0 HA GLU A 25 4.864 18.768 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.025 16.343 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.472 17.122 8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.758 18.051 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.189 17.462 6.553 1.00 0.00 H new ATOM 398 N GLU A 26 2.160 18.227 11.338 1.00 0.00 N ATOM 399 CA GLU A 26 1.104 18.887 12.101 1.00 0.00 C ATOM 400 C GLU A 26 1.720 19.779 13.185 1.00 0.00 C ATOM 401 O GLU A 26 1.068 20.682 13.717 1.00 0.00 O ATOM 402 CB GLU A 26 0.150 17.845 12.712 1.00 0.00 C ATOM 403 CG GLU A 26 -1.085 18.456 13.367 1.00 0.00 C ATOM 404 CD GLU A 26 -2.079 17.415 13.854 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.949 16.947 15.005 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.010 17.073 13.090 1.00 0.00 O ATOM 0 H GLU A 26 2.197 17.215 11.462 1.00 0.00 H new ATOM 0 HA GLU A 26 0.521 19.518 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.168 17.154 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.692 17.260 13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.774 19.074 14.209 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.579 19.115 12.653 1.00 0.00 H new ATOM 413 N GLY A 27 2.990 19.522 13.486 1.00 0.00 N ATOM 414 CA GLY A 27 3.746 20.369 14.390 1.00 0.00 C ATOM 415 C GLY A 27 3.664 19.930 15.837 1.00 0.00 C ATOM 416 O GLY A 27 3.401 20.746 16.725 1.00 0.00 O ATOM 0 H GLY A 27 3.514 18.730 13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.791 20.377 14.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.381 21.393 14.308 1.00 0.00 H new ATOM 420 N ASP A 28 3.889 18.644 16.082 1.00 0.00 N ATOM 421 CA ASP A 28 3.946 18.111 17.443 1.00 0.00 C ATOM 422 C ASP A 28 4.881 16.909 17.503 1.00 0.00 C ATOM 423 O ASP A 28 4.773 15.991 16.692 1.00 0.00 O ATOM 424 CB ASP A 28 2.548 17.712 17.935 1.00 0.00 C ATOM 425 CG ASP A 28 2.574 17.082 19.325 1.00 0.00 C ATOM 426 OD1 ASP A 28 2.696 17.825 20.325 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.478 15.839 19.424 1.00 0.00 O ATOM 0 H ASP A 28 4.036 17.946 15.353 1.00 0.00 H new ATOM 0 HA ASP A 28 4.331 18.894 18.096 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.907 18.593 17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.105 17.009 17.229 1.00 0.00 H new ATOM 432 N LEU A 29 5.816 16.935 18.450 1.00 0.00 N ATOM 433 CA LEU A 29 6.738 15.822 18.659 1.00 0.00 C ATOM 434 C LEU A 29 6.059 14.721 19.480 1.00 0.00 C ATOM 435 O LEU A 29 5.828 14.886 20.681 1.00 0.00 O ATOM 436 CB LEU A 29 8.024 16.298 19.360 1.00 0.00 C ATOM 437 CG LEU A 29 8.944 17.219 18.530 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.310 16.563 17.197 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.303 18.592 18.308 1.00 0.00 C ATOM 0 H LEU A 29 5.955 17.719 19.087 1.00 0.00 H new ATOM 0 HA LEU A 29 7.013 15.417 17.685 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.744 16.824 20.273 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.597 15.421 19.661 1.00 0.00 H new ATOM 0 HG LEU A 29 9.862 17.372 19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.959 17.230 16.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.830 15.624 17.384 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.402 16.367 16.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.976 19.217 17.720 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.360 18.471 17.774 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.116 19.066 19.271 1.00 0.00 H new ATOM 451 N LEU A 62 -4.948 7.856 4.505 1.00 0.00 N ATOM 452 CA LEU A 62 -5.179 6.811 3.512 1.00 0.00 C ATOM 453 C LEU A 62 -3.957 5.901 3.400 1.00 0.00 C ATOM 454 O LEU A 62 -2.925 6.283 2.839 1.00 0.00 O ATOM 455 CB LEU A 62 -5.529 7.434 2.146 1.00 0.00 C ATOM 456 CG LEU A 62 -6.399 6.560 1.218 1.00 0.00 C ATOM 457 CD1 LEU A 62 -5.674 5.278 0.806 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.733 6.232 1.894 1.00 0.00 C ATOM 0 HA LEU A 62 -6.025 6.204 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.048 8.377 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.601 7.672 1.627 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.594 7.131 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.318 4.689 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.756 5.533 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.430 4.696 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.336 5.615 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.547 5.690 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.266 7.157 2.114 1.00 0.00 H new ATOM 470 N MET A 63 -4.086 4.698 3.950 1.00 0.00 N ATOM 471 CA MET A 63 -3.024 3.699 3.918 1.00 0.00 C ATOM 472 C MET A 63 -3.628 2.300 3.778 1.00 0.00 C ATOM 473 O MET A 63 -4.311 1.809 4.682 1.00 0.00 O ATOM 474 CB MET A 63 -2.157 3.810 5.183 1.00 0.00 C ATOM 475 CG MET A 63 -2.959 3.888 6.479 1.00 0.00 C ATOM 476 SD MET A 63 -1.936 4.244 7.922 1.00 0.00 S ATOM 477 CE MET A 63 -0.884 2.796 7.971 1.00 0.00 C ATOM 0 H MET A 63 -4.931 4.388 4.431 1.00 0.00 H new ATOM 0 HA MET A 63 -2.383 3.879 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.491 2.949 5.231 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.527 4.696 5.103 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.722 4.661 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.480 2.943 6.634 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.390 2.738 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.488 1.902 7.818 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.133 2.865 7.184 1.00 0.00 H new ATOM 487 N MET A 64 -3.391 1.671 2.627 1.00 0.00 N ATOM 488 CA MET A 64 -3.986 0.375 2.312 1.00 0.00 C ATOM 489 C MET A 64 -2.923 -0.717 2.212 1.00 0.00 C ATOM 490 O MET A 64 -1.979 -0.609 1.426 1.00 0.00 O ATOM 491 CB MET A 64 -4.764 0.447 0.988 1.00 0.00 C ATOM 492 CG MET A 64 -5.947 1.409 1.006 1.00 0.00 C ATOM 493 SD MET A 64 -6.841 1.433 -0.563 1.00 0.00 S ATOM 494 CE MET A 64 -8.147 2.609 -0.209 1.00 0.00 C ATOM 0 H MET A 64 -2.787 2.042 1.894 1.00 0.00 H new ATOM 0 HA MET A 64 -4.668 0.125 3.124 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.080 0.746 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.126 -0.550 0.738 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.631 1.125 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.591 2.414 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.087 2.076 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.901 3.164 0.696 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.248 3.303 -1.044 1.00 0.00 H new ATOM 504 N PHE A 65 -3.081 -1.759 3.020 1.00 0.00 N ATOM 505 CA PHE A 65 -2.266 -2.967 2.915 1.00 0.00 C ATOM 506 C PHE A 65 -3.014 -3.964 2.037 1.00 0.00 C ATOM 507 O PHE A 65 -4.063 -4.472 2.437 1.00 0.00 O ATOM 508 CB PHE A 65 -2.017 -3.582 4.306 1.00 0.00 C ATOM 509 CG PHE A 65 -1.150 -2.756 5.235 1.00 0.00 C ATOM 510 CD1 PHE A 65 -1.027 -1.380 5.082 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.465 -3.368 6.276 1.00 0.00 C ATOM 512 CE1 PHE A 65 -0.241 -0.639 5.945 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.323 -2.629 7.138 1.00 0.00 C ATOM 514 CZ PHE A 65 0.434 -1.264 6.973 1.00 0.00 C ATOM 0 H PHE A 65 -3.776 -1.792 3.766 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.298 -2.720 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.980 -3.750 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.552 -4.559 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.552 -0.884 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.549 -4.436 6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.155 0.430 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.852 -3.120 7.941 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.048 -0.686 7.647 1.00 0.00 H new ATOM 524 N VAL A 66 -2.506 -4.236 0.839 1.00 0.00 N ATOM 525 CA VAL A 66 -3.233 -5.058 -0.123 1.00 0.00 C ATOM 526 C VAL A 66 -2.525 -6.396 -0.345 1.00 0.00 C ATOM 527 O VAL A 66 -1.427 -6.441 -0.899 1.00 0.00 O ATOM 528 CB VAL A 66 -3.378 -4.325 -1.482 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.267 -5.115 -2.440 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.917 -2.908 -1.280 1.00 0.00 C ATOM 0 H VAL A 66 -1.599 -3.902 0.512 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.224 -5.242 0.291 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.387 -4.250 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.351 -4.578 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.828 -6.096 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.258 -5.235 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.010 -2.413 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.895 -2.956 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.230 -2.344 -0.649 1.00 0.00 H new ATOM 540 N THR A 67 -3.154 -7.480 0.096 1.00 0.00 N ATOM 541 CA THR A 67 -2.620 -8.820 -0.126 1.00 0.00 C ATOM 542 C THR A 67 -3.114 -9.343 -1.475 1.00 0.00 C ATOM 543 O THR A 67 -4.298 -9.652 -1.645 1.00 0.00 O ATOM 544 CB THR A 67 -2.991 -9.790 1.035 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.582 -11.132 0.730 1.00 0.00 O ATOM 546 CG2 THR A 67 -4.482 -9.763 1.341 1.00 0.00 C ATOM 0 H THR A 67 -4.035 -7.457 0.610 1.00 0.00 H new ATOM 0 HA THR A 67 -1.532 -8.765 -0.144 1.00 0.00 H new ATOM 0 HB THR A 67 -2.457 -9.446 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.637 -11.247 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.699 -10.453 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.776 -8.754 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.041 -10.062 0.454 1.00 0.00 H new ATOM 554 N VAL A 68 -2.202 -9.389 -2.446 1.00 0.00 N ATOM 555 CA VAL A 68 -2.560 -9.689 -3.832 1.00 0.00 C ATOM 556 C VAL A 68 -2.232 -11.132 -4.209 1.00 0.00 C ATOM 557 O VAL A 68 -3.001 -11.795 -4.905 1.00 0.00 O ATOM 558 CB VAL A 68 -1.840 -8.724 -4.817 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.232 -7.275 -4.533 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.320 -8.889 -4.750 1.00 0.00 C ATOM 0 H VAL A 68 -1.207 -9.222 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.638 -9.549 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.160 -8.982 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.718 -6.615 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.310 -7.160 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.948 -7.015 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.152 -8.200 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.025 -8.672 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.053 -9.913 -5.012 1.00 0.00 H new ATOM 570 N SER A 69 -1.089 -11.612 -3.740 1.00 0.00 N ATOM 571 CA SER A 69 -0.579 -12.914 -4.147 1.00 0.00 C ATOM 572 C SER A 69 -1.141 -14.032 -3.274 1.00 0.00 C ATOM 573 O SER A 69 -1.740 -14.985 -3.776 1.00 0.00 O ATOM 574 CB SER A 69 0.956 -12.905 -4.089 1.00 0.00 C ATOM 575 OG SER A 69 1.500 -14.179 -4.387 1.00 0.00 O ATOM 0 H SER A 69 -0.495 -11.117 -3.075 1.00 0.00 H new ATOM 0 HA SER A 69 -0.902 -13.106 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.342 -12.170 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.281 -12.594 -3.096 1.00 0.00 H new ATOM 0 HG SER A 69 2.199 -14.397 -3.736 1.00 0.00 H new ATOM 581 N GLY A 70 -0.952 -13.905 -1.966 1.00 0.00 N ATOM 582 CA GLY A 70 -1.281 -14.989 -1.055 1.00 0.00 C ATOM 583 C GLY A 70 -0.211 -16.067 -1.062 1.00 0.00 C ATOM 584 O GLY A 70 -0.265 -17.022 -0.285 1.00 0.00 O ATOM 0 H GLY A 70 -0.576 -13.070 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.395 -14.595 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.239 -15.425 -1.337 1.00 0.00 H new ATOM 588 N ASN A 71 0.770 -15.900 -1.950 1.00 0.00 N ATOM 589 CA ASN A 71 1.884 -16.829 -2.097 1.00 0.00 C ATOM 590 C ASN A 71 3.207 -16.062 -1.976 1.00 0.00 C ATOM 591 O ASN A 71 3.374 -15.013 -2.598 1.00 0.00 O ATOM 592 CB ASN A 71 1.774 -17.556 -3.451 1.00 0.00 C ATOM 593 CG ASN A 71 2.982 -18.419 -3.772 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.100 -19.552 -3.304 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.872 -17.905 -4.599 1.00 0.00 N ATOM 0 H ASN A 71 0.811 -15.108 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 71 1.854 -17.580 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.881 -18.181 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.644 -16.817 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.691 -18.450 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.742 -16.963 -4.967 1.00 0.00 H new ATOM 602 N PRO A 72 4.161 -16.576 -1.169 1.00 0.00 N ATOM 603 CA PRO A 72 5.399 -15.853 -0.811 1.00 0.00 C ATOM 604 C PRO A 72 6.287 -15.478 -2.013 1.00 0.00 C ATOM 605 O PRO A 72 7.198 -14.661 -1.880 1.00 0.00 O ATOM 606 CB PRO A 72 6.118 -16.814 0.154 1.00 0.00 C ATOM 607 CG PRO A 72 5.551 -18.155 -0.164 1.00 0.00 C ATOM 608 CD PRO A 72 4.114 -17.908 -0.532 1.00 0.00 C ATOM 0 HA PRO A 72 5.170 -14.883 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.197 -16.794 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.936 -16.542 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.091 -18.624 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.627 -18.826 0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.735 -18.669 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.466 -17.914 0.344 1.00 0.00 H new ATOM 616 N THR A 73 6.061 -16.098 -3.168 1.00 0.00 N ATOM 617 CA THR A 73 6.764 -15.714 -4.386 1.00 0.00 C ATOM 618 C THR A 73 6.451 -14.252 -4.738 1.00 0.00 C ATOM 619 O THR A 73 5.390 -13.946 -5.289 1.00 0.00 O ATOM 620 CB THR A 73 6.368 -16.640 -5.555 1.00 0.00 C ATOM 621 OG1 THR A 73 6.506 -18.007 -5.142 1.00 0.00 O ATOM 622 CG2 THR A 73 7.224 -16.392 -6.791 1.00 0.00 C ATOM 0 H THR A 73 5.399 -16.865 -3.285 1.00 0.00 H new ATOM 0 HA THR A 73 7.836 -15.814 -4.214 1.00 0.00 H new ATOM 0 HB THR A 73 5.333 -16.425 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.300 -18.599 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.912 -17.064 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.101 -15.359 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.271 -16.575 -6.551 1.00 0.00 H new ATOM 630 N GLU A 74 7.384 -13.359 -4.396 1.00 0.00 N ATOM 631 CA GLU A 74 7.192 -11.907 -4.547 1.00 0.00 C ATOM 632 C GLU A 74 6.869 -11.535 -5.992 1.00 0.00 C ATOM 633 O GLU A 74 6.271 -10.492 -6.256 1.00 0.00 O ATOM 634 CB GLU A 74 8.445 -11.113 -4.111 1.00 0.00 C ATOM 635 CG GLU A 74 9.313 -11.780 -3.042 1.00 0.00 C ATOM 636 CD GLU A 74 10.272 -12.814 -3.622 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.268 -12.415 -4.263 1.00 0.00 O ATOM 638 OE2 GLU A 74 10.034 -14.026 -3.444 1.00 0.00 O ATOM 0 H GLU A 74 8.291 -13.617 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 74 6.354 -11.644 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.061 -10.930 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.125 -10.140 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.885 -11.016 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.669 -12.261 -2.305 1.00 0.00 H new ATOM 645 N LYS A 75 7.270 -12.403 -6.914 1.00 0.00 N ATOM 646 CA LYS A 75 7.168 -12.133 -8.347 1.00 0.00 C ATOM 647 C LYS A 75 5.737 -11.789 -8.747 1.00 0.00 C ATOM 648 O LYS A 75 5.514 -10.951 -9.625 1.00 0.00 O ATOM 649 CB LYS A 75 7.686 -13.330 -9.161 1.00 0.00 C ATOM 650 CG LYS A 75 9.194 -13.565 -9.033 1.00 0.00 C ATOM 651 CD LYS A 75 9.603 -14.049 -7.641 1.00 0.00 C ATOM 652 CE LYS A 75 11.114 -14.214 -7.520 1.00 0.00 C ATOM 653 NZ LYS A 75 11.659 -15.144 -8.547 1.00 0.00 N ATOM 0 H LYS A 75 7.675 -13.313 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 75 7.792 -11.267 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.160 -14.229 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.441 -13.175 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.507 -14.300 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.722 -12.639 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.254 -13.338 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.115 -15.001 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.594 -13.241 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.359 -14.588 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.652 -15.360 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.105 -16.024 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.601 -14.698 -9.485 1.00 0.00 H new ATOM 667 N GLU A 76 4.771 -12.421 -8.086 1.00 0.00 N ATOM 668 CA GLU A 76 3.364 -12.125 -8.323 1.00 0.00 C ATOM 669 C GLU A 76 3.097 -10.651 -8.028 1.00 0.00 C ATOM 670 O GLU A 76 2.547 -9.921 -8.856 1.00 0.00 O ATOM 671 CB GLU A 76 2.469 -13.004 -7.437 1.00 0.00 C ATOM 672 CG GLU A 76 2.724 -14.501 -7.582 1.00 0.00 C ATOM 673 CD GLU A 76 2.588 -14.988 -9.015 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.454 -15.009 -9.539 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.619 -15.348 -9.628 1.00 0.00 O ATOM 0 H GLU A 76 4.938 -13.141 -7.383 1.00 0.00 H new ATOM 0 HA GLU A 76 3.131 -12.338 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.618 -12.721 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.426 -12.799 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.726 -14.731 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.023 -15.047 -6.950 1.00 0.00 H new ATOM 682 N THR A 77 3.532 -10.217 -6.849 1.00 0.00 N ATOM 683 CA THR A 77 3.335 -8.846 -6.408 1.00 0.00 C ATOM 684 C THR A 77 4.162 -7.876 -7.259 1.00 0.00 C ATOM 685 O THR A 77 3.770 -6.725 -7.449 1.00 0.00 O ATOM 686 CB THR A 77 3.700 -8.688 -4.913 1.00 0.00 C ATOM 687 OG1 THR A 77 2.987 -9.659 -4.135 1.00 0.00 O ATOM 688 CG2 THR A 77 3.362 -7.291 -4.403 1.00 0.00 C ATOM 0 H THR A 77 4.028 -10.804 -6.178 1.00 0.00 H new ATOM 0 HA THR A 77 2.279 -8.605 -6.533 1.00 0.00 H new ATOM 0 HB THR A 77 4.774 -8.842 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.595 -10.067 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.631 -7.213 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.920 -6.550 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.293 -7.110 -4.519 1.00 0.00 H new ATOM 696 N GLU A 78 5.303 -8.342 -7.774 1.00 0.00 N ATOM 697 CA GLU A 78 6.132 -7.519 -8.656 1.00 0.00 C ATOM 698 C GLU A 78 5.369 -7.184 -9.937 1.00 0.00 C ATOM 699 O GLU A 78 5.292 -6.017 -10.333 1.00 0.00 O ATOM 700 CB GLU A 78 7.459 -8.218 -8.994 1.00 0.00 C ATOM 701 CG GLU A 78 8.373 -8.434 -7.790 1.00 0.00 C ATOM 702 CD GLU A 78 9.756 -8.943 -8.174 1.00 0.00 C ATOM 703 OE1 GLU A 78 9.918 -10.168 -8.373 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.692 -8.122 -8.280 1.00 0.00 O ATOM 0 H GLU A 78 5.671 -9.277 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 78 6.367 -6.595 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.243 -9.184 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.990 -7.625 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.476 -7.495 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.906 -9.146 -7.110 1.00 0.00 H new ATOM 711 N GLU A 79 4.797 -8.208 -10.571 1.00 0.00 N ATOM 712 CA GLU A 79 3.993 -8.008 -11.780 1.00 0.00 C ATOM 713 C GLU A 79 2.811 -7.090 -11.477 1.00 0.00 C ATOM 714 O GLU A 79 2.556 -6.123 -12.201 1.00 0.00 O ATOM 715 CB GLU A 79 3.481 -9.350 -12.328 1.00 0.00 C ATOM 716 CG GLU A 79 4.585 -10.325 -12.719 1.00 0.00 C ATOM 717 CD GLU A 79 4.041 -11.570 -13.403 1.00 0.00 C ATOM 718 OE1 GLU A 79 3.509 -12.457 -12.706 1.00 0.00 O ATOM 719 OE2 GLU A 79 4.125 -11.660 -14.650 1.00 0.00 O ATOM 0 H GLU A 79 4.874 -9.180 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 79 4.627 -7.545 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.847 -9.819 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.854 -9.159 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.289 -9.825 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.141 -10.616 -11.828 1.00 0.00 H new ATOM 726 N ILE A 80 2.106 -7.398 -10.391 1.00 0.00 N ATOM 727 CA ILE A 80 0.967 -6.600 -9.945 1.00 0.00 C ATOM 728 C ILE A 80 1.355 -5.125 -9.789 1.00 0.00 C ATOM 729 O ILE A 80 0.738 -4.246 -10.390 1.00 0.00 O ATOM 730 CB ILE A 80 0.386 -7.167 -8.611 1.00 0.00 C ATOM 731 CG1 ILE A 80 -0.759 -8.160 -8.891 1.00 0.00 C ATOM 732 CG2 ILE A 80 -0.087 -6.056 -7.672 1.00 0.00 C ATOM 733 CD1 ILE A 80 -0.358 -9.363 -9.724 1.00 0.00 C ATOM 0 H ILE A 80 2.307 -8.203 -9.798 1.00 0.00 H new ATOM 0 HA ILE A 80 0.191 -6.662 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 80 1.195 -7.697 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.160 -8.510 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.564 -7.632 -9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.483 -6.497 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.752 -5.405 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.867 -5.474 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.224 -10.008 -9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.014 -9.028 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.424 -9.919 -9.207 1.00 0.00 H new ATOM 745 N THR A 81 2.403 -4.870 -9.012 1.00 0.00 N ATOM 746 CA THR A 81 2.845 -3.510 -8.738 1.00 0.00 C ATOM 747 C THR A 81 3.293 -2.807 -10.023 1.00 0.00 C ATOM 748 O THR A 81 3.067 -1.613 -10.193 1.00 0.00 O ATOM 749 CB THR A 81 3.995 -3.496 -7.701 1.00 0.00 C ATOM 750 OG1 THR A 81 3.558 -4.125 -6.485 1.00 0.00 O ATOM 751 CG2 THR A 81 4.462 -2.075 -7.394 1.00 0.00 C ATOM 0 H THR A 81 2.963 -5.592 -8.560 1.00 0.00 H new ATOM 0 HA THR A 81 1.995 -2.969 -8.323 1.00 0.00 H new ATOM 0 HB THR A 81 4.834 -4.044 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.554 -5.098 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.269 -2.107 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.820 -1.604 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.630 -1.498 -6.991 1.00 0.00 H new ATOM 759 N SER A 82 3.905 -3.565 -10.932 1.00 0.00 N ATOM 760 CA SER A 82 4.402 -3.017 -12.193 1.00 0.00 C ATOM 761 C SER A 82 3.242 -2.487 -13.047 1.00 0.00 C ATOM 762 O SER A 82 3.203 -1.301 -13.402 1.00 0.00 O ATOM 763 CB SER A 82 5.192 -4.090 -12.958 1.00 0.00 C ATOM 764 OG SER A 82 5.787 -3.566 -14.133 1.00 0.00 O ATOM 0 H SER A 82 4.069 -4.565 -10.817 1.00 0.00 H new ATOM 0 HA SER A 82 5.068 -2.183 -11.973 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.966 -4.502 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.527 -4.912 -13.223 1.00 0.00 H new ATOM 0 HG SER A 82 6.282 -4.275 -14.593 1.00 0.00 H new ATOM 770 N LEU A 83 2.285 -3.369 -13.343 1.00 0.00 N ATOM 771 CA LEU A 83 1.133 -3.010 -14.173 1.00 0.00 C ATOM 772 C LEU A 83 0.310 -1.907 -13.511 1.00 0.00 C ATOM 773 O LEU A 83 -0.104 -0.945 -14.169 1.00 0.00 O ATOM 774 CB LEU A 83 0.249 -4.243 -14.451 1.00 0.00 C ATOM 775 CG LEU A 83 0.750 -5.194 -15.562 1.00 0.00 C ATOM 776 CD1 LEU A 83 2.122 -5.775 -15.226 1.00 0.00 C ATOM 777 CD2 LEU A 83 -0.263 -6.315 -15.806 1.00 0.00 C ATOM 0 H LEU A 83 2.285 -4.337 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 83 1.511 -2.636 -15.125 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.153 -4.813 -13.527 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.750 -3.898 -14.718 1.00 0.00 H new ATOM 0 HG LEU A 83 0.853 -4.610 -16.477 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.443 -6.439 -16.029 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.843 -4.965 -15.115 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.061 -6.337 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.106 -6.975 -16.591 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.402 -6.886 -14.888 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.216 -5.884 -16.113 1.00 0.00 H new ATOM 789 N TRP A 84 0.077 -2.045 -12.209 1.00 0.00 N ATOM 790 CA TRP A 84 -0.695 -1.058 -11.461 1.00 0.00 C ATOM 791 C TRP A 84 0.023 0.285 -11.450 1.00 0.00 C ATOM 792 O TRP A 84 -0.609 1.335 -11.575 1.00 0.00 O ATOM 793 CB TRP A 84 -0.951 -1.538 -10.026 1.00 0.00 C ATOM 794 CG TRP A 84 -1.850 -2.740 -9.944 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.397 -3.436 -10.986 1.00 0.00 C ATOM 796 CD2 TRP A 84 -2.301 -3.388 -8.751 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.161 -4.469 -10.514 1.00 0.00 N ATOM 798 CE2 TRP A 84 -3.119 -4.464 -9.146 1.00 0.00 C ATOM 799 CE3 TRP A 84 -2.092 -3.164 -7.387 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.730 -5.309 -8.225 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -2.697 -4.006 -6.474 1.00 0.00 C ATOM 802 CH2 TRP A 84 -3.507 -5.068 -6.898 1.00 0.00 C ATOM 0 H TRP A 84 0.412 -2.830 -11.650 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.658 -0.934 -11.957 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.003 -1.776 -9.556 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.394 -0.724 -9.453 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.248 -3.204 -12.030 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.678 -5.135 -11.089 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.469 -2.348 -7.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.358 -6.126 -8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.543 -3.843 -5.417 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.965 -5.710 -6.160 1.00 0.00 H new ATOM 813 N GLN A 85 1.346 0.248 -11.327 1.00 0.00 N ATOM 814 CA GLN A 85 2.147 1.463 -11.334 1.00 0.00 C ATOM 815 C GLN A 85 1.946 2.204 -12.649 1.00 0.00 C ATOM 816 O GLN A 85 1.472 3.338 -12.659 1.00 0.00 O ATOM 817 CB GLN A 85 3.634 1.136 -11.129 1.00 0.00 C ATOM 818 CG GLN A 85 4.530 2.365 -11.047 1.00 0.00 C ATOM 819 CD GLN A 85 5.978 2.017 -10.750 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.372 1.918 -9.590 1.00 0.00 O ATOM 821 NE2 GLN A 85 6.780 1.837 -11.786 1.00 0.00 N ATOM 0 H GLN A 85 1.885 -0.612 -11.221 1.00 0.00 H new ATOM 0 HA GLN A 85 1.823 2.100 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.745 0.555 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.974 0.505 -11.950 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.478 2.911 -11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.155 3.032 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.416 1.928 -12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.763 1.607 -11.637 1.00 0.00 H new ATOM 830 N GLY A 86 2.300 1.548 -13.752 1.00 0.00 N ATOM 831 CA GLY A 86 2.108 2.130 -15.070 1.00 0.00 C ATOM 832 C GLY A 86 0.723 2.726 -15.259 1.00 0.00 C ATOM 833 O GLY A 86 0.591 3.893 -15.628 1.00 0.00 O ATOM 0 H GLY A 86 2.719 0.618 -13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.857 2.906 -15.231 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.274 1.364 -15.827 1.00 0.00 H new ATOM 837 N SER A 87 -0.305 1.935 -14.972 1.00 0.00 N ATOM 838 CA SER A 87 -1.689 2.359 -15.173 1.00 0.00 C ATOM 839 C SER A 87 -2.021 3.618 -14.358 1.00 0.00 C ATOM 840 O SER A 87 -2.464 4.629 -14.910 1.00 0.00 O ATOM 841 CB SER A 87 -2.641 1.219 -14.797 1.00 0.00 C ATOM 842 OG SER A 87 -2.332 0.039 -15.526 1.00 0.00 O ATOM 0 H SER A 87 -0.207 0.991 -14.597 1.00 0.00 H new ATOM 0 HA SER A 87 -1.815 2.607 -16.227 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.571 1.019 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.670 1.517 -14.999 1.00 0.00 H new ATOM 0 HG SER A 87 -1.558 -0.404 -15.119 1.00 0.00 H new ATOM 848 N LEU A 88 -1.788 3.558 -13.049 1.00 0.00 N ATOM 849 CA LEU A 88 -2.147 4.656 -12.151 1.00 0.00 C ATOM 850 C LEU A 88 -1.262 5.886 -12.389 1.00 0.00 C ATOM 851 O LEU A 88 -1.696 7.022 -12.188 1.00 0.00 O ATOM 852 CB LEU A 88 -2.077 4.201 -10.678 1.00 0.00 C ATOM 853 CG LEU A 88 -3.285 3.372 -10.174 1.00 0.00 C ATOM 854 CD1 LEU A 88 -3.487 2.104 -11.002 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.129 3.021 -8.695 1.00 0.00 C ATOM 0 H LEU A 88 -1.352 2.761 -12.585 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.175 4.944 -12.371 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.172 3.610 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.978 5.085 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.173 3.993 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.343 1.551 -10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.667 2.374 -12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.594 1.482 -10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.990 2.439 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.220 2.436 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.065 3.937 -8.108 1.00 0.00 H new ATOM 867 N PHE A 89 -0.032 5.659 -12.837 1.00 0.00 N ATOM 868 CA PHE A 89 0.888 6.758 -13.133 1.00 0.00 C ATOM 869 C PHE A 89 0.510 7.436 -14.450 1.00 0.00 C ATOM 870 O PHE A 89 0.713 8.638 -14.611 1.00 0.00 O ATOM 871 CB PHE A 89 2.346 6.267 -13.169 1.00 0.00 C ATOM 872 CG PHE A 89 2.969 6.097 -11.799 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.265 5.496 -10.764 1.00 0.00 C ATOM 874 CD2 PHE A 89 4.261 6.539 -11.549 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.835 5.339 -9.513 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.836 6.385 -10.301 1.00 0.00 C ATOM 877 CZ PHE A 89 4.122 5.785 -9.282 1.00 0.00 C ATOM 0 H PHE A 89 0.353 4.729 -13.004 1.00 0.00 H new ATOM 0 HA PHE A 89 0.804 7.493 -12.332 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.385 5.314 -13.696 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.943 6.974 -13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.258 5.146 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.825 7.010 -12.341 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.275 4.869 -8.718 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.843 6.734 -10.123 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.569 5.665 -8.306 1.00 0.00 H new ATOM 887 N ASN A 90 -0.061 6.669 -15.379 1.00 0.00 N ATOM 888 CA ASN A 90 -0.534 7.232 -16.647 1.00 0.00 C ATOM 889 C ASN A 90 -1.722 8.162 -16.404 1.00 0.00 C ATOM 890 O ASN A 90 -1.917 9.143 -17.124 1.00 0.00 O ATOM 891 CB ASN A 90 -0.919 6.125 -17.646 1.00 0.00 C ATOM 892 CG ASN A 90 0.287 5.372 -18.188 1.00 0.00 C ATOM 893 OD1 ASN A 90 1.388 5.920 -18.292 1.00 0.00 O ATOM 894 ND2 ASN A 90 0.091 4.111 -18.547 1.00 0.00 N ATOM 0 H ASN A 90 -0.207 5.664 -15.281 1.00 0.00 H new ATOM 0 HA ASN A 90 0.284 7.806 -17.083 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.592 5.420 -17.158 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.469 6.567 -18.477 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.864 3.562 -18.923 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.833 3.690 -18.447 1.00 0.00 H new ATOM 901 N ALA A 91 -2.505 7.854 -15.372 1.00 0.00 N ATOM 902 CA ALA A 91 -3.623 8.705 -14.962 1.00 0.00 C ATOM 903 C ALA A 91 -3.137 9.804 -14.017 1.00 0.00 C ATOM 904 O ALA A 91 -3.933 10.588 -13.483 1.00 0.00 O ATOM 905 CB ALA A 91 -4.708 7.864 -14.302 1.00 0.00 C ATOM 0 H ALA A 91 -2.386 7.017 -14.801 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.047 9.181 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.535 8.508 -14.001 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.069 7.116 -15.008 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.298 7.365 -13.424 1.00 0.00 H new ATOM 911 N ASN A 92 -1.818 9.843 -13.826 1.00 0.00 N ATOM 912 CA ASN A 92 -1.151 10.825 -12.977 1.00 0.00 C ATOM 913 C ASN A 92 -1.631 10.719 -11.529 1.00 0.00 C ATOM 914 O ASN A 92 -2.304 11.615 -11.009 1.00 0.00 O ATOM 915 CB ASN A 92 -1.346 12.251 -13.517 1.00 0.00 C ATOM 916 CG ASN A 92 -0.481 13.278 -12.799 1.00 0.00 C ATOM 917 OD1 ASN A 92 0.654 13.537 -13.197 1.00 0.00 O ATOM 918 ND2 ASN A 92 -1.006 13.865 -11.734 1.00 0.00 N ATOM 0 H ASN A 92 -1.175 9.183 -14.264 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.084 10.605 -12.994 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.112 12.266 -14.581 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.394 12.532 -13.417 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.466 14.557 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.951 13.625 -11.433 1.00 0.00 H new ATOM 925 N TYR A 93 -1.312 9.595 -10.897 1.00 0.00 N ATOM 926 CA TYR A 93 -1.573 9.402 -9.474 1.00 0.00 C ATOM 927 C TYR A 93 -0.252 9.255 -8.728 1.00 0.00 C ATOM 928 O TYR A 93 0.379 8.195 -8.770 1.00 0.00 O ATOM 929 CB TYR A 93 -2.455 8.167 -9.228 1.00 0.00 C ATOM 930 CG TYR A 93 -3.851 8.269 -9.815 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.580 9.452 -9.729 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.441 7.184 -10.454 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.850 9.547 -10.261 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.711 7.274 -10.989 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.410 8.456 -10.889 1.00 0.00 C ATOM 936 OH TYR A 93 -7.675 8.549 -11.423 1.00 0.00 O ATOM 0 H TYR A 93 -0.868 8.797 -11.352 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.110 10.275 -9.104 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.960 7.292 -9.649 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.537 8.001 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.144 10.310 -9.238 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.897 6.255 -10.533 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.402 10.472 -10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.154 6.422 -11.483 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.242 7.845 -11.045 1.00 0.00 H new ATOM 946 N ASP A 94 0.179 10.328 -8.076 1.00 0.00 N ATOM 947 CA ASP A 94 1.406 10.305 -7.286 1.00 0.00 C ATOM 948 C ASP A 94 1.196 9.533 -5.993 1.00 0.00 C ATOM 949 O ASP A 94 1.084 10.110 -4.909 1.00 0.00 O ATOM 950 CB ASP A 94 1.908 11.728 -6.996 1.00 0.00 C ATOM 951 CG ASP A 94 2.623 12.340 -8.188 1.00 0.00 C ATOM 952 OD1 ASP A 94 3.848 12.122 -8.321 1.00 0.00 O ATOM 953 OD2 ASP A 94 1.975 13.035 -8.996 1.00 0.00 O ATOM 0 H ASP A 94 -0.303 11.227 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 94 2.172 9.795 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.064 12.359 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.584 11.705 -6.142 1.00 0.00 H new ATOM 958 N VAL A 95 1.119 8.219 -6.127 1.00 0.00 N ATOM 959 CA VAL A 95 0.957 7.328 -4.991 1.00 0.00 C ATOM 960 C VAL A 95 2.326 6.959 -4.434 1.00 0.00 C ATOM 961 O VAL A 95 3.336 7.056 -5.145 1.00 0.00 O ATOM 962 CB VAL A 95 0.203 6.032 -5.396 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.086 6.364 -6.145 1.00 0.00 C ATOM 964 CG2 VAL A 95 1.091 5.107 -6.234 1.00 0.00 C ATOM 0 H VAL A 95 1.167 7.741 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 95 0.370 7.847 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.058 5.503 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.596 5.440 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.735 6.962 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.848 6.927 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.533 4.210 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.401 5.624 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.972 4.828 -5.657 1.00 0.00 H new ATOM 974 N GLN A 96 2.383 6.558 -3.172 1.00 0.00 N ATOM 975 CA GLN A 96 3.609 5.999 -2.626 1.00 0.00 C ATOM 976 C GLN A 96 3.391 4.518 -2.362 1.00 0.00 C ATOM 977 O GLN A 96 2.751 4.124 -1.384 1.00 0.00 O ATOM 978 CB GLN A 96 4.062 6.744 -1.363 1.00 0.00 C ATOM 979 CG GLN A 96 5.433 6.307 -0.843 1.00 0.00 C ATOM 980 CD GLN A 96 6.584 6.656 -1.786 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.420 6.718 -3.007 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.767 6.887 -1.226 1.00 0.00 N ATOM 0 H GLN A 96 1.605 6.608 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 96 4.415 6.121 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.088 7.813 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.321 6.592 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.612 6.776 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.423 5.230 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.872 6.828 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.570 7.123 -1.809 1.00 0.00 H new ATOM 991 N ARG A 97 3.898 3.710 -3.281 1.00 0.00 N ATOM 992 CA ARG A 97 3.680 2.273 -3.266 1.00 0.00 C ATOM 993 C ARG A 97 4.977 1.565 -2.912 1.00 0.00 C ATOM 994 O ARG A 97 6.051 1.962 -3.370 1.00 0.00 O ATOM 995 CB ARG A 97 3.159 1.785 -4.638 1.00 0.00 C ATOM 996 CG ARG A 97 4.216 1.697 -5.751 1.00 0.00 C ATOM 997 CD ARG A 97 4.856 3.048 -6.075 1.00 0.00 C ATOM 998 NE ARG A 97 5.891 2.932 -7.108 1.00 0.00 N ATOM 999 CZ ARG A 97 7.086 3.536 -7.060 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.443 4.250 -5.999 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.935 3.400 -8.070 1.00 0.00 N ATOM 0 H ARG A 97 4.473 4.034 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 97 2.926 2.039 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.710 0.800 -4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.365 2.456 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.994 0.995 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.754 1.294 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.086 3.743 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.293 3.469 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 97 5.686 2.350 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.805 4.343 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.355 4.705 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.677 2.837 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.845 3.859 -8.036 1.00 0.00 H new ATOM 1015 N PHE A 98 4.876 0.541 -2.083 1.00 0.00 N ATOM 1016 CA PHE A 98 6.029 -0.267 -1.723 1.00 0.00 C ATOM 1017 C PHE A 98 5.676 -1.744 -1.783 1.00 0.00 C ATOM 1018 O PHE A 98 4.667 -2.176 -1.216 1.00 0.00 O ATOM 1019 CB PHE A 98 6.528 0.076 -0.310 1.00 0.00 C ATOM 1020 CG PHE A 98 7.032 1.487 -0.149 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.177 1.907 -0.807 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.370 2.387 0.674 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.648 3.195 -0.650 1.00 0.00 C ATOM 1024 CE2 PHE A 98 6.841 3.675 0.836 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.980 4.078 0.172 1.00 0.00 C ATOM 0 H PHE A 98 4.003 0.248 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 98 6.822 -0.049 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.716 -0.089 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.328 -0.614 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.707 1.219 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.476 2.076 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.540 3.511 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.318 4.365 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.349 5.085 0.296 1.00 0.00 H new ATOM 1035 N ILE A 99 6.489 -2.514 -2.492 1.00 0.00 N ATOM 1036 CA ILE A 99 6.390 -3.958 -2.436 1.00 0.00 C ATOM 1037 C ILE A 99 7.254 -4.470 -1.282 1.00 0.00 C ATOM 1038 O ILE A 99 8.441 -4.764 -1.437 1.00 0.00 O ATOM 1039 CB ILE A 99 6.795 -4.634 -3.778 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.808 -6.168 -3.628 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.145 -4.113 -4.279 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.162 -6.911 -4.898 1.00 0.00 C ATOM 0 H ILE A 99 7.220 -2.161 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 99 5.347 -4.224 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 99 6.048 -4.372 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.521 -6.440 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.826 -6.497 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.399 -4.605 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.083 -3.037 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.915 -4.326 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.149 -7.984 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.435 -6.671 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.157 -6.613 -5.228 1.00 0.00 H new ATOM 1054 N VAL A 100 6.648 -4.516 -0.110 1.00 0.00 N ATOM 1055 CA VAL A 100 7.282 -5.043 1.086 1.00 0.00 C ATOM 1056 C VAL A 100 6.304 -5.998 1.749 1.00 0.00 C ATOM 1057 O VAL A 100 5.180 -5.619 2.087 1.00 0.00 O ATOM 1058 CB VAL A 100 7.743 -3.916 2.062 1.00 0.00 C ATOM 1059 CG1 VAL A 100 6.626 -2.911 2.345 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.278 -4.511 3.364 1.00 0.00 C ATOM 0 H VAL A 100 5.695 -4.186 0.041 1.00 0.00 H new ATOM 0 HA VAL A 100 8.193 -5.573 0.809 1.00 0.00 H new ATOM 0 HB VAL A 100 8.550 -3.373 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.991 -2.144 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.311 -2.445 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.779 -3.427 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.593 -3.707 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.494 -5.094 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.129 -5.157 3.146 1.00 0.00 H new ATOM 1070 N GLY A 101 6.731 -7.240 1.915 1.00 0.00 N ATOM 1071 CA GLY A 101 5.805 -8.310 2.200 1.00 0.00 C ATOM 1072 C GLY A 101 5.529 -9.097 0.939 1.00 0.00 C ATOM 1073 O GLY A 101 4.799 -8.636 0.071 1.00 0.00 O ATOM 0 H GLY A 101 7.709 -7.525 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.218 -8.966 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.875 -7.903 2.596 1.00 0.00 H new ATOM 1077 N SER A 102 6.152 -10.261 0.836 1.00 0.00 N ATOM 1078 CA SER A 102 6.149 -11.073 -0.380 1.00 0.00 C ATOM 1079 C SER A 102 4.808 -11.059 -1.138 1.00 0.00 C ATOM 1080 O SER A 102 4.776 -10.802 -2.343 1.00 0.00 O ATOM 1081 CB SER A 102 6.530 -12.505 -0.009 1.00 0.00 C ATOM 1082 OG SER A 102 7.792 -12.541 0.641 1.00 0.00 O ATOM 0 H SER A 102 6.682 -10.677 1.602 1.00 0.00 H new ATOM 0 HA SER A 102 6.876 -10.635 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.768 -12.931 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.561 -13.122 -0.907 1.00 0.00 H new ATOM 0 HG SER A 102 8.015 -13.467 0.871 1.00 0.00 H new ATOM 1088 N ASP A 103 3.706 -11.317 -0.438 1.00 0.00 N ATOM 1089 CA ASP A 103 2.398 -11.469 -1.087 1.00 0.00 C ATOM 1090 C ASP A 103 1.547 -10.201 -0.964 1.00 0.00 C ATOM 1091 O ASP A 103 0.371 -10.186 -1.357 1.00 0.00 O ATOM 1092 CB ASP A 103 1.646 -12.658 -0.473 1.00 0.00 C ATOM 1093 CG ASP A 103 1.155 -12.378 0.938 1.00 0.00 C ATOM 1094 OD1 ASP A 103 1.997 -12.251 1.845 1.00 0.00 O ATOM 1095 OD2 ASP A 103 -0.074 -12.269 1.136 1.00 0.00 O ATOM 0 H ASP A 103 3.688 -11.426 0.576 1.00 0.00 H new ATOM 0 HA ASP A 103 2.575 -11.649 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.795 -12.910 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.302 -13.529 -0.459 1.00 0.00 H new ATOM 1100 N ARG A 104 2.148 -9.134 -0.448 1.00 0.00 N ATOM 1101 CA ARG A 104 1.417 -7.904 -0.149 1.00 0.00 C ATOM 1102 C ARG A 104 2.092 -6.678 -0.765 1.00 0.00 C ATOM 1103 O ARG A 104 3.315 -6.562 -0.775 1.00 0.00 O ATOM 1104 CB ARG A 104 1.288 -7.707 1.370 1.00 0.00 C ATOM 1105 CG ARG A 104 0.561 -8.844 2.082 1.00 0.00 C ATOM 1106 CD ARG A 104 0.329 -8.543 3.559 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.351 -9.651 4.236 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.131 -9.517 5.312 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.348 -8.319 5.834 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -1.685 -10.588 5.865 1.00 0.00 N ATOM 0 H ARG A 104 3.143 -9.095 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 104 0.425 -8.006 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.285 -7.602 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.758 -6.774 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.397 -9.022 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.142 -9.761 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.285 -8.350 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.267 -7.636 3.657 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.219 -10.590 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.919 -7.494 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.944 -8.221 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.515 -11.512 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.281 -10.487 6.687 1.00 0.00 H new ATOM 1124 N ALA A 105 1.271 -5.781 -1.292 1.00 0.00 N ATOM 1125 CA ALA A 105 1.722 -4.474 -1.755 1.00 0.00 C ATOM 1126 C ALA A 105 1.045 -3.389 -0.921 1.00 0.00 C ATOM 1127 O ALA A 105 -0.179 -3.400 -0.757 1.00 0.00 O ATOM 1128 CB ALA A 105 1.402 -4.294 -3.237 1.00 0.00 C ATOM 0 H ALA A 105 0.270 -5.938 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 105 2.803 -4.398 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.745 -3.313 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.907 -5.068 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.325 -4.372 -3.389 1.00 0.00 H new ATOM 1134 N ILE A 106 1.834 -2.472 -0.366 1.00 0.00 N ATOM 1135 CA ILE A 106 1.287 -1.388 0.446 1.00 0.00 C ATOM 1136 C ILE A 106 1.154 -0.108 -0.382 1.00 0.00 C ATOM 1137 O ILE A 106 2.125 0.373 -0.977 1.00 0.00 O ATOM 1138 CB ILE A 106 2.141 -1.125 1.720 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.556 0.044 2.535 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.601 -0.859 1.362 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.325 0.354 3.804 1.00 0.00 C ATOM 0 H ILE A 106 2.849 -2.458 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 106 0.296 -1.700 0.776 1.00 0.00 H new ATOM 0 HB ILE A 106 2.108 -2.023 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.534 0.936 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.523 -0.188 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.172 -0.679 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.011 -1.724 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.663 0.016 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.852 1.188 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.326 -0.522 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.352 0.619 3.552 1.00 0.00 H new ATOM 1153 N PHE A 107 -0.068 0.416 -0.436 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.366 1.648 -1.160 1.00 0.00 C ATOM 1155 C PHE A 107 -0.747 2.747 -0.176 1.00 0.00 C ATOM 1156 O PHE A 107 -1.818 2.704 0.436 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.510 1.423 -2.171 1.00 0.00 C ATOM 1158 CG PHE A 107 -1.087 0.716 -3.438 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.609 -0.589 -3.402 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.167 1.359 -4.668 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.221 -1.230 -4.564 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.779 0.719 -5.829 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.304 -0.575 -5.779 1.00 0.00 C ATOM 0 H PHE A 107 -0.879 -0.002 0.021 1.00 0.00 H new ATOM 0 HA PHE A 107 0.524 1.952 -1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.296 0.842 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.942 2.388 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.540 -1.107 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.537 2.372 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.148 -2.244 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.848 1.232 -6.777 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.002 -1.075 -6.686 1.00 0.00 H new ATOM 1173 N MET A 108 0.144 3.713 -0.002 1.00 0.00 N ATOM 1174 CA MET A 108 -0.112 4.846 0.876 1.00 0.00 C ATOM 1175 C MET A 108 -0.338 6.107 0.051 1.00 0.00 C ATOM 1176 O MET A 108 0.443 6.421 -0.862 1.00 0.00 O ATOM 1177 CB MET A 108 1.046 5.035 1.863 1.00 0.00 C ATOM 1178 CG MET A 108 1.099 3.957 2.941 1.00 0.00 C ATOM 1179 SD MET A 108 2.518 4.126 4.038 1.00 0.00 S ATOM 1180 CE MET A 108 3.865 3.713 2.931 1.00 0.00 C ATOM 0 H MET A 108 1.055 3.734 -0.460 1.00 0.00 H new ATOM 0 HA MET A 108 -1.015 4.647 1.453 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.987 5.036 1.313 1.00 0.00 H new ATOM 0 HB3 MET A 108 0.954 6.011 2.339 1.00 0.00 H new ATOM 0 HG2 MET A 108 0.184 3.996 3.532 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.129 2.977 2.465 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.756 3.479 3.514 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.588 2.848 2.328 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.072 4.560 2.277 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.419 6.817 0.366 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.808 8.007 -0.376 1.00 0.00 C ATOM 1192 C LEU A 109 -1.782 9.224 0.536 1.00 0.00 C ATOM 1193 O LEU A 109 -2.456 9.253 1.566 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.219 7.840 -0.967 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.425 6.613 -1.871 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.838 6.601 -2.456 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -2.381 6.577 -2.981 1.00 0.00 C ATOM 0 H LEU A 109 -2.044 6.583 1.138 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.098 8.149 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.933 7.786 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.460 8.735 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.302 5.718 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.961 5.724 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.567 6.567 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.995 7.503 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.546 5.701 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.464 7.478 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.385 6.526 -2.542 1.00 0.00 H new ATOM 1209 N ARG A 110 -0.998 10.224 0.156 1.00 0.00 N ATOM 1210 CA ARG A 110 -0.982 11.491 0.870 1.00 0.00 C ATOM 1211 C ARG A 110 -2.322 12.184 0.641 1.00 0.00 C ATOM 1212 O ARG A 110 -2.989 12.618 1.584 1.00 0.00 O ATOM 1213 CB ARG A 110 0.186 12.366 0.378 1.00 0.00 C ATOM 1214 CG ARG A 110 1.289 12.605 1.412 1.00 0.00 C ATOM 1215 CD ARG A 110 0.768 13.287 2.684 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.243 14.324 2.408 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.107 15.335 1.537 1.00 0.00 C ATOM 1218 NH1 ARG A 110 1.038 15.538 0.891 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.125 16.166 1.340 1.00 0.00 N ATOM 0 H ARG A 110 -0.365 10.181 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.837 11.323 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.627 11.897 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.210 13.331 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.746 11.652 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.071 13.221 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.337 12.534 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.605 13.736 3.218 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.121 14.268 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.832 14.919 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.122 16.312 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.999 16.032 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.033 16.938 0.680 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.705 12.259 -0.629 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.021 12.738 -1.031 1.00 0.00 C ATOM 1235 C ASP A 111 -4.800 11.575 -1.642 1.00 0.00 C ATOM 1236 O ASP A 111 -4.451 11.084 -2.718 1.00 0.00 O ATOM 1237 CB ASP A 111 -3.898 13.891 -2.043 1.00 0.00 C ATOM 1238 CG ASP A 111 -3.221 15.127 -1.458 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -1.974 15.218 -1.510 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -3.935 16.018 -0.948 1.00 0.00 O ATOM 0 H ASP A 111 -2.109 11.988 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.550 13.119 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.331 13.548 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.892 14.162 -2.399 1.00 0.00 H new ATOM 1245 N GLY A 112 -5.847 11.127 -0.952 1.00 0.00 N ATOM 1246 CA GLY A 112 -6.539 9.906 -1.344 1.00 0.00 C ATOM 1247 C GLY A 112 -7.915 10.145 -1.937 1.00 0.00 C ATOM 1248 O GLY A 112 -8.862 9.430 -1.614 1.00 0.00 O ATOM 0 H GLY A 112 -6.230 11.588 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.928 9.371 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.637 9.259 -0.472 1.00 0.00 H new ATOM 1252 N SER A 113 -8.030 11.134 -2.818 1.00 0.00 N ATOM 1253 CA SER A 113 -9.296 11.417 -3.499 1.00 0.00 C ATOM 1254 C SER A 113 -9.735 10.214 -4.343 1.00 0.00 C ATOM 1255 O SER A 113 -10.922 9.938 -4.502 1.00 0.00 O ATOM 1256 CB SER A 113 -9.139 12.648 -4.396 1.00 0.00 C ATOM 1257 OG SER A 113 -8.534 13.720 -3.691 1.00 0.00 O ATOM 0 H SER A 113 -7.264 11.755 -3.079 1.00 0.00 H new ATOM 0 HA SER A 113 -10.059 11.612 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.534 12.393 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.116 12.958 -4.767 1.00 0.00 H new ATOM 0 HG SER A 113 -8.443 14.493 -4.286 1.00 0.00 H new ATOM 1263 N TYR A 114 -8.743 9.489 -4.850 1.00 0.00 N ATOM 1264 CA TYR A 114 -8.969 8.353 -5.743 1.00 0.00 C ATOM 1265 C TYR A 114 -8.822 7.028 -4.993 1.00 0.00 C ATOM 1266 O TYR A 114 -8.617 5.977 -5.602 1.00 0.00 O ATOM 1267 CB TYR A 114 -7.992 8.425 -6.930 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.549 8.684 -6.529 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.081 9.984 -6.341 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -5.656 7.636 -6.338 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.770 10.226 -5.977 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.345 7.873 -5.972 1.00 0.00 C ATOM 1273 CZ TYR A 114 -3.906 9.168 -5.794 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.599 9.406 -5.430 1.00 0.00 O ATOM 0 H TYR A 114 -7.759 9.671 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.989 8.402 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.041 7.488 -7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.317 9.215 -7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.755 10.816 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.993 6.619 -6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.424 11.239 -5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -3.666 7.046 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.552 10.229 -4.900 1.00 0.00 H new ATOM 1284 N ALA A 115 -8.964 7.085 -3.668 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.814 5.905 -2.813 1.00 0.00 C ATOM 1286 C ALA A 115 -9.771 4.787 -3.225 1.00 0.00 C ATOM 1287 O ALA A 115 -9.350 3.660 -3.493 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.056 6.278 -1.356 1.00 0.00 C ATOM 0 H ALA A 115 -9.184 7.942 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.794 5.539 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.942 5.393 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.334 7.035 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.066 6.673 -1.245 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.058 5.111 -3.277 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.090 4.114 -3.550 1.00 0.00 C ATOM 1296 C TRP A 116 -11.992 3.605 -4.985 1.00 0.00 C ATOM 1297 O TRP A 116 -12.295 2.444 -5.264 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.486 4.694 -3.262 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.309 3.814 -2.367 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.523 3.251 -2.645 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.959 3.384 -1.046 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.950 2.505 -1.573 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -15.007 2.569 -0.580 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.859 3.609 -0.211 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.988 1.982 0.682 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.839 3.027 1.039 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.898 2.219 1.477 1.00 0.00 C ATOM 0 H TRP A 116 -11.413 6.056 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.930 3.264 -2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.378 5.675 -2.800 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.014 4.842 -4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.066 3.374 -3.570 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.827 1.987 -1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.038 4.229 -0.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.804 1.362 1.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.995 3.196 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.853 1.775 2.460 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.547 4.476 -5.889 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.359 4.098 -7.282 1.00 0.00 C ATOM 1320 C GLU A 117 -10.239 3.065 -7.390 1.00 0.00 C ATOM 1321 O GLU A 117 -10.331 2.102 -8.160 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.047 5.334 -8.135 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.957 5.045 -9.629 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.850 6.310 -10.461 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.903 6.871 -10.834 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -9.722 6.761 -10.734 1.00 0.00 O ATOM 0 H GLU A 117 -11.311 5.446 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.280 3.654 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.819 6.085 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.104 5.766 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.090 4.413 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.837 4.483 -9.941 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.186 3.267 -6.596 1.00 0.00 N ATOM 1334 CA ILE A 118 -8.104 2.293 -6.493 1.00 0.00 C ATOM 1335 C ILE A 118 -8.639 0.967 -5.978 1.00 0.00 C ATOM 1336 O ILE A 118 -8.432 -0.065 -6.604 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.948 2.801 -5.581 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.998 3.695 -6.389 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.177 1.641 -4.943 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.853 4.272 -5.578 1.00 0.00 C ATOM 0 H ILE A 118 -9.062 4.097 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.693 2.151 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.390 3.383 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.588 3.117 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.570 4.514 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.379 2.036 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.856 1.044 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.746 1.016 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -4.228 4.892 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -5.252 4.879 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.255 3.460 -5.164 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.346 1.006 -4.848 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.930 -0.200 -4.258 1.00 0.00 C ATOM 1354 C LYS A 119 -10.719 -0.980 -5.311 1.00 0.00 C ATOM 1355 O LYS A 119 -10.539 -2.189 -5.471 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.836 0.170 -3.071 1.00 0.00 C ATOM 1357 CG LYS A 119 -11.554 -1.020 -2.435 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.342 -0.608 -1.194 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.119 -1.775 -0.592 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.216 -2.237 -1.483 1.00 0.00 N ATOM 0 H LYS A 119 -9.528 1.861 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.122 -0.834 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.234 0.666 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.581 0.891 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -12.230 -1.468 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.824 -1.783 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.657 -0.206 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.035 0.192 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.437 -2.603 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.536 -1.475 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.810 -2.923 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.796 -1.423 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.810 -2.688 -2.328 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.570 -0.264 -6.043 1.00 0.00 N ATOM 1375 CA ASP A 120 -12.374 -0.859 -7.112 1.00 0.00 C ATOM 1376 C ASP A 120 -11.480 -1.483 -8.189 1.00 0.00 C ATOM 1377 O ASP A 120 -11.732 -2.601 -8.653 1.00 0.00 O ATOM 1378 CB ASP A 120 -13.292 0.203 -7.732 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.063 -0.312 -8.941 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -15.060 -1.046 -8.755 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.686 0.027 -10.081 1.00 0.00 O ATOM 0 H ASP A 120 -11.722 0.736 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.986 -1.651 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.998 0.550 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.694 1.064 -8.029 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.416 -0.776 -8.556 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.503 -1.244 -9.593 1.00 0.00 C ATOM 1388 C PHE A 121 -8.804 -2.526 -9.137 1.00 0.00 C ATOM 1389 O PHE A 121 -8.778 -3.526 -9.862 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.469 -0.148 -9.912 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.455 -0.530 -10.966 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.784 -0.494 -12.313 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -6.168 -0.916 -10.607 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.854 -0.836 -13.279 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -5.236 -1.258 -11.568 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.580 -1.220 -12.906 1.00 0.00 C ATOM 0 H PHE A 121 -10.164 0.125 -8.150 1.00 0.00 H new ATOM 0 HA PHE A 121 -10.070 -1.463 -10.498 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.997 0.747 -10.241 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.940 0.113 -8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.778 -0.195 -12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.893 -0.949 -9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.124 -0.803 -14.324 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.240 -1.555 -11.274 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.854 -1.490 -13.659 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.247 -2.480 -7.930 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.547 -3.626 -7.344 1.00 0.00 C ATOM 1408 C LEU A 122 -8.448 -4.867 -7.247 1.00 0.00 C ATOM 1409 O LEU A 122 -8.013 -5.975 -7.553 1.00 0.00 O ATOM 1410 CB LEU A 122 -7.006 -3.280 -5.946 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.212 -1.962 -5.837 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.460 -1.887 -4.512 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -5.263 -1.789 -7.016 1.00 0.00 C ATOM 0 H LEU A 122 -8.266 -1.654 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.717 -3.859 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.847 -3.233 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.365 -4.096 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.927 -1.140 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.908 -0.949 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.171 -1.937 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.763 -2.722 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.718 -0.851 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.556 -2.619 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.835 -1.774 -7.944 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.699 -4.685 -6.817 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.608 -5.824 -6.630 1.00 0.00 C ATOM 1427 C VAL A 123 -11.114 -6.368 -7.972 1.00 0.00 C ATOM 1428 O VAL A 123 -11.443 -7.549 -8.087 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.810 -5.475 -5.713 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.325 -5.031 -4.333 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.710 -4.415 -6.349 1.00 0.00 C ATOM 0 H VAL A 123 -10.103 -3.775 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.024 -6.600 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.409 -6.377 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.183 -4.791 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.752 -5.836 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.693 -4.149 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.542 -4.195 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.134 -3.506 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.097 -4.788 -7.298 1.00 0.00 H new ATOM 1441 N SER A 124 -11.160 -5.501 -8.983 1.00 0.00 N ATOM 1442 CA SER A 124 -11.556 -5.896 -10.339 1.00 0.00 C ATOM 1443 C SER A 124 -10.401 -6.601 -11.075 1.00 0.00 C ATOM 1444 O SER A 124 -10.533 -6.965 -12.248 1.00 0.00 O ATOM 1445 CB SER A 124 -12.025 -4.664 -11.131 1.00 0.00 C ATOM 1446 OG SER A 124 -12.513 -5.023 -12.418 1.00 0.00 O ATOM 0 H SER A 124 -10.926 -4.513 -8.889 1.00 0.00 H new ATOM 0 HA SER A 124 -12.381 -6.604 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.809 -4.150 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.197 -3.963 -11.238 1.00 0.00 H new ATOM 0 HG SER A 124 -12.090 -5.859 -12.707 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.281 -6.790 -10.381 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.051 -7.282 -11.005 1.00 0.00 C ATOM 1454 C GLN A 125 -8.155 -8.786 -11.321 1.00 0.00 C ATOM 1455 O GLN A 125 -8.997 -9.491 -10.762 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.852 -6.977 -10.086 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.505 -6.882 -10.802 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.661 -8.137 -10.687 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -5.177 -9.235 -10.542 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -3.351 -7.977 -10.762 1.00 0.00 N ATOM 0 H GLN A 125 -9.198 -6.609 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.901 -6.768 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.039 -6.037 -9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.789 -7.754 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.679 -6.668 -11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.946 -6.040 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -2.957 -7.044 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -2.734 -8.787 -10.699 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.288 -9.260 -12.217 1.00 0.00 N ATOM 1470 CA ASP A 126 -7.330 -10.647 -12.704 1.00 0.00 C ATOM 1471 C ASP A 126 -6.989 -11.648 -11.594 1.00 0.00 C ATOM 1472 O ASP A 126 -7.840 -12.438 -11.178 1.00 0.00 O ATOM 1473 CB ASP A 126 -6.374 -10.824 -13.892 1.00 0.00 C ATOM 1474 CG ASP A 126 -6.266 -12.272 -14.352 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -7.252 -12.802 -14.909 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -5.192 -12.888 -14.163 1.00 0.00 O ATOM 0 H ASP A 126 -6.540 -8.700 -12.626 1.00 0.00 H new ATOM 0 HA ASP A 126 -8.349 -10.851 -13.032 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.717 -10.208 -14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.385 -10.461 -13.613 1.00 0.00 H new ATOM 1481 N ARG A 127 -5.745 -11.612 -11.122 1.00 0.00 N ATOM 1482 CA ARG A 127 -5.304 -12.457 -10.007 1.00 0.00 C ATOM 1483 C ARG A 127 -5.942 -12.012 -8.685 1.00 0.00 C ATOM 1484 O ARG A 127 -5.730 -12.641 -7.647 1.00 0.00 O ATOM 1485 CB ARG A 127 -3.764 -12.461 -9.904 1.00 0.00 C ATOM 1486 CG ARG A 127 -3.101 -13.605 -10.672 1.00 0.00 C ATOM 1487 CD ARG A 127 -1.575 -13.505 -10.674 1.00 0.00 C ATOM 1488 NE ARG A 127 -1.086 -12.537 -11.661 1.00 0.00 N ATOM 1489 CZ ARG A 127 0.195 -12.412 -12.029 1.00 0.00 C ATOM 1490 NH1 ARG A 127 1.144 -13.125 -11.433 1.00 0.00 N ATOM 1491 NH2 ARG A 127 0.531 -11.571 -12.999 1.00 0.00 N ATOM 0 H ARG A 127 -5.017 -11.003 -11.496 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.636 -13.476 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -3.381 -11.512 -10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -3.479 -12.526 -8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.399 -14.555 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.463 -13.605 -11.700 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -1.230 -13.215 -9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -1.148 -14.485 -10.886 1.00 0.00 H new ATOM 0 HE ARG A 127 -1.768 -11.917 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.900 -13.776 -10.687 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.117 -13.022 -11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.188 -11.018 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.508 -11.478 -13.277 1.00 0.00 H new ATOM 1505 N CYS A 128 -6.718 -10.926 -8.746 1.00 0.00 N ATOM 1506 CA CYS A 128 -7.500 -10.435 -7.611 1.00 0.00 C ATOM 1507 C CYS A 128 -6.607 -9.770 -6.561 1.00 0.00 C ATOM 1508 O CYS A 128 -5.380 -9.738 -6.695 1.00 0.00 O ATOM 1509 CB CYS A 128 -8.326 -11.573 -6.982 1.00 0.00 C ATOM 1510 SG CYS A 128 -9.417 -11.055 -5.633 1.00 0.00 S ATOM 0 H CYS A 128 -6.821 -10.361 -9.589 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.188 -9.678 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -8.929 -12.040 -7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -7.643 -12.336 -6.607 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.065 -12.086 -5.179 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.241 -9.229 -5.523 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.537 -8.529 -4.457 1.00 0.00 C ATOM 1518 C ALA A 129 -7.476 -8.239 -3.290 1.00 0.00 C ATOM 1519 O ALA A 129 -8.618 -7.816 -3.494 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.934 -7.229 -4.984 1.00 0.00 C ATOM 0 H ALA A 129 -8.253 -9.264 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.732 -9.171 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.411 -6.717 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.231 -7.453 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.729 -6.588 -5.366 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.999 -8.489 -2.076 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.731 -8.130 -0.866 1.00 0.00 C ATOM 1528 C GLU A 130 -7.131 -6.865 -0.262 1.00 0.00 C ATOM 1529 O GLU A 130 -5.979 -6.862 0.190 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.697 -9.277 0.154 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.528 -10.489 -0.247 1.00 0.00 C ATOM 1532 CD GLU A 130 -10.016 -10.178 -0.316 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -10.651 -10.042 0.754 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -10.561 -10.073 -1.435 1.00 0.00 O ATOM 0 H GLU A 130 -6.102 -8.942 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.773 -7.944 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.663 -9.590 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.055 -8.906 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.191 -10.852 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.361 -11.293 0.470 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.911 -5.790 -0.274 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.461 -4.495 0.217 1.00 0.00 C ATOM 1543 C VAL A 131 -7.861 -4.304 1.679 1.00 0.00 C ATOM 1544 O VAL A 131 -9.049 -4.326 2.016 1.00 0.00 O ATOM 1545 CB VAL A 131 -8.060 -3.342 -0.630 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -7.522 -1.988 -0.172 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.786 -3.562 -2.116 1.00 0.00 C ATOM 0 H VAL A 131 -8.869 -5.792 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.374 -4.471 0.133 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.140 -3.341 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.958 -1.198 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.786 -1.826 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.437 -1.972 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.215 -2.741 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.710 -3.600 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.237 -4.502 -2.434 1.00 0.00 H new ATOM 1557 N THR A 132 -6.872 -4.113 2.543 1.00 0.00 N ATOM 1558 CA THR A 132 -7.111 -3.819 3.946 1.00 0.00 C ATOM 1559 C THR A 132 -6.767 -2.354 4.203 1.00 0.00 C ATOM 1560 O THR A 132 -5.693 -1.894 3.811 1.00 0.00 O ATOM 1561 CB THR A 132 -6.250 -4.722 4.861 1.00 0.00 C ATOM 1562 OG1 THR A 132 -6.473 -6.104 4.530 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.573 -4.492 6.336 1.00 0.00 C ATOM 0 H THR A 132 -5.885 -4.158 2.290 1.00 0.00 H new ATOM 0 HA THR A 132 -8.159 -4.011 4.174 1.00 0.00 H new ATOM 0 HB THR A 132 -5.203 -4.465 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.925 -6.672 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.950 -5.142 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.376 -3.451 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.624 -4.718 6.518 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.667 -1.616 4.842 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.456 -0.192 5.078 1.00 0.00 C ATOM 1573 C LEU A 133 -7.127 0.032 6.547 1.00 0.00 C ATOM 1574 O LEU A 133 -7.964 -0.216 7.420 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.701 0.628 4.687 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.112 0.580 3.198 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -9.689 -0.783 2.819 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -10.111 1.689 2.884 1.00 0.00 C ATOM 0 H LEU A 133 -8.548 -1.979 5.206 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.625 0.143 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.542 0.279 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.525 1.668 4.960 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.214 0.737 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.967 -0.780 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.941 -1.556 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.571 -0.986 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.390 1.640 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.001 1.563 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.658 2.658 3.095 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.909 0.484 6.814 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.453 0.701 8.181 1.00 0.00 C ATOM 1592 C GLU A 134 -6.060 1.978 8.756 1.00 0.00 C ATOM 1593 O GLU A 134 -6.354 2.926 8.022 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.922 0.769 8.227 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.236 -0.533 7.824 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.551 -1.679 8.772 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.927 -1.747 9.855 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -4.422 -2.512 8.451 1.00 0.00 O ATOM 0 H GLU A 134 -5.217 0.708 6.099 1.00 0.00 H new ATOM 0 HA GLU A 134 -5.784 -0.140 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.583 1.567 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.610 1.036 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.546 -0.805 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.158 -0.377 7.795 1.00 0.00 H new