USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -0.351 X(o=-0.7,f=-0.55) USER MOD Set 1.2: A 41 HIS : no HD1:sc= -0.354 K(o=-0.7,f=-0.0086) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -1.67 X(o=-3.2,f=-3.4!) USER MOD Set 2.2: A 21 SER OG : rot 138:sc= -1.52 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.29 X(o=-2.3,f=-2.5) USER MOD Single : A 9 SER OG : rot 68:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.28) USER MOD Single : A 16 GLN : amide:sc= -0.519 K(o=-0.52,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= -4! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0519) USER MOD Single : A 36 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00472 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 60 GLN : amide:sc= -3.5! C(o=-3.5!,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.433) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.07) USER MOD Single : A 68 SER OG : rot 180:sc= 0.21 USER MOD Single : A 70 THR OG1 : rot 39:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 95 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.015) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 102 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-1.5) USER MOD Single : A 103 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.15) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.627 0.201 -0.904 1.00 0.00 N ATOM 2 CA ALA A 1 1.693 0.032 -1.885 1.00 0.00 C ATOM 3 C ALA A 1 1.910 -1.441 -2.212 1.00 0.00 C ATOM 4 O ALA A 1 2.667 -2.132 -1.531 1.00 0.00 O ATOM 5 CB ALA A 1 2.983 0.657 -1.374 1.00 0.00 C ATOM 0 H1 ALA A 1 0.500 1.213 -0.700 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.259 -0.189 -1.284 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.879 -0.300 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 1 1.394 0.540 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.771 0.524 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.827 1.721 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.277 0.174 -0.442 1.00 0.00 H new ATOM 11 N GLN A 2 1.240 -1.915 -3.258 1.00 0.00 N ATOM 12 CA GLN A 2 1.360 -3.307 -3.674 1.00 0.00 C ATOM 13 C GLN A 2 2.777 -3.614 -4.147 1.00 0.00 C ATOM 14 O GLN A 2 3.316 -2.928 -5.015 1.00 0.00 O ATOM 15 CB GLN A 2 0.359 -3.616 -4.789 1.00 0.00 C ATOM 16 CG GLN A 2 0.096 -5.101 -4.977 1.00 0.00 C ATOM 17 CD GLN A 2 1.280 -5.832 -5.579 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.976 -5.303 -6.445 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.514 -7.057 -5.122 1.00 0.00 N ATOM 0 H GLN A 2 0.609 -1.356 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 2 1.140 -3.938 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.583 -3.114 -4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.731 -3.200 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.150 -5.547 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.773 -5.233 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.911 -7.457 -4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.297 -7.598 -5.490 1.00 0.00 H new ATOM 28 N VAL A 3 3.376 -4.651 -3.569 1.00 0.00 N ATOM 29 CA VAL A 3 4.731 -5.050 -3.932 1.00 0.00 C ATOM 30 C VAL A 3 4.842 -6.565 -4.061 1.00 0.00 C ATOM 31 O VAL A 3 4.616 -7.298 -3.099 1.00 0.00 O ATOM 32 CB VAL A 3 5.758 -4.557 -2.895 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.166 -4.957 -3.306 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.653 -3.050 -2.715 1.00 0.00 C ATOM 0 H VAL A 3 2.945 -5.229 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 3 4.949 -4.590 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 3 5.537 -5.030 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.878 -4.600 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.230 -6.043 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.402 -4.515 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.386 -2.720 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.846 -2.556 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.651 -2.794 -2.370 1.00 0.00 H new ATOM 44 N ASN A 4 5.192 -7.027 -5.257 1.00 0.00 N ATOM 45 CA ASN A 4 5.333 -8.456 -5.512 1.00 0.00 C ATOM 46 C ASN A 4 6.765 -8.799 -5.911 1.00 0.00 C ATOM 47 O ASN A 4 7.203 -8.488 -7.019 1.00 0.00 O ATOM 48 CB ASN A 4 4.366 -8.896 -6.614 1.00 0.00 C ATOM 49 CG ASN A 4 4.766 -10.219 -7.239 1.00 0.00 C ATOM 50 OD1 ASN A 4 4.869 -11.236 -6.554 1.00 0.00 O ATOM 51 ND2 ASN A 4 4.993 -10.210 -8.547 1.00 0.00 N ATOM 0 H ASN A 4 5.383 -6.433 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 4 5.093 -8.989 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.362 -8.982 -6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.327 -8.129 -7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.265 -11.070 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.895 -9.343 -9.076 1.00 0.00 H new ATOM 58 N ILE A 5 7.490 -9.440 -5.000 1.00 0.00 N ATOM 59 CA ILE A 5 8.871 -9.826 -5.257 1.00 0.00 C ATOM 60 C ILE A 5 9.019 -11.343 -5.306 1.00 0.00 C ATOM 61 O ILE A 5 8.421 -12.061 -4.504 1.00 0.00 O ATOM 62 CB ILE A 5 9.822 -9.263 -4.184 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.732 -7.736 -4.142 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.251 -9.707 -4.458 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.116 -7.145 -2.804 1.00 0.00 C ATOM 0 H ILE A 5 7.143 -9.703 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 5 9.140 -9.406 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 5 9.521 -9.653 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.381 -7.321 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.713 -7.433 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.911 -9.301 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.303 -10.796 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.564 -9.343 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.029 -6.059 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.452 -7.532 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.145 -7.417 -2.568 1.00 0.00 H new ATOM 77 N ALA A 6 9.820 -11.825 -6.250 1.00 0.00 N ATOM 78 CA ALA A 6 10.049 -13.256 -6.401 1.00 0.00 C ATOM 79 C ALA A 6 11.211 -13.721 -5.530 1.00 0.00 C ATOM 80 O ALA A 6 12.293 -13.133 -5.530 1.00 0.00 O ATOM 81 CB ALA A 6 10.311 -13.598 -7.860 1.00 0.00 C ATOM 0 H ALA A 6 10.322 -11.245 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 6 9.151 -13.779 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.480 -14.670 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.449 -13.311 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.192 -13.058 -8.208 1.00 0.00 H new ATOM 87 N PRO A 7 10.986 -14.801 -4.767 1.00 0.00 N ATOM 88 CA PRO A 7 12.003 -15.368 -3.877 1.00 0.00 C ATOM 89 C PRO A 7 13.143 -16.027 -4.645 1.00 0.00 C ATOM 90 O PRO A 7 13.307 -15.805 -5.843 1.00 0.00 O ATOM 91 CB PRO A 7 11.227 -16.412 -3.071 1.00 0.00 C ATOM 92 CG PRO A 7 10.082 -16.792 -3.946 1.00 0.00 C ATOM 93 CD PRO A 7 9.720 -15.552 -4.715 1.00 0.00 C ATOM 0 HA PRO A 7 12.479 -14.604 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.850 -17.275 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.881 -16.002 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.358 -17.603 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.238 -17.144 -3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.353 -15.791 -5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.936 -14.984 -4.215 1.00 0.00 H new ATOM 101 N GLY A 8 13.929 -16.841 -3.946 1.00 0.00 N ATOM 102 CA GLY A 8 15.044 -17.521 -4.579 1.00 0.00 C ATOM 103 C GLY A 8 16.377 -16.878 -4.251 1.00 0.00 C ATOM 104 O GLY A 8 17.402 -17.225 -4.838 1.00 0.00 O ATOM 0 H GLY A 8 13.813 -17.041 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.059 -18.563 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.900 -17.520 -5.659 1.00 0.00 H new ATOM 108 N SER A 9 16.363 -15.937 -3.313 1.00 0.00 N ATOM 109 CA SER A 9 17.580 -15.240 -2.912 1.00 0.00 C ATOM 110 C SER A 9 17.278 -14.191 -1.845 1.00 0.00 C ATOM 111 O SER A 9 16.746 -13.121 -2.142 1.00 0.00 O ATOM 112 CB SER A 9 18.235 -14.576 -4.124 1.00 0.00 C ATOM 113 OG SER A 9 19.246 -15.403 -4.675 1.00 0.00 O ATOM 0 H SER A 9 15.523 -15.639 -2.816 1.00 0.00 H new ATOM 0 HA SER A 9 18.268 -15.974 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.479 -14.367 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.664 -13.618 -3.830 1.00 0.00 H new ATOM 0 HG SER A 9 18.836 -16.199 -5.073 1.00 0.00 H new ATOM 119 N LEU A 10 17.623 -14.507 -0.602 1.00 0.00 N ATOM 120 CA LEU A 10 17.390 -13.593 0.512 1.00 0.00 C ATOM 121 C LEU A 10 17.985 -12.219 0.222 1.00 0.00 C ATOM 122 O LEU A 10 17.320 -11.196 0.390 1.00 0.00 O ATOM 123 CB LEU A 10 17.994 -14.161 1.798 1.00 0.00 C ATOM 124 CG LEU A 10 17.521 -13.518 3.102 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.744 -14.461 4.274 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.238 -12.196 3.335 1.00 0.00 C ATOM 0 H LEU A 10 18.065 -15.388 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 10 16.313 -13.483 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.771 -15.227 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.078 -14.064 1.741 1.00 0.00 H new ATOM 0 HG LEU A 10 16.452 -13.320 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.401 -13.986 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.185 -15.382 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.806 -14.691 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.889 -11.752 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.312 -12.370 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.027 -11.517 2.509 1.00 0.00 H new ATOM 138 N ASP A 11 19.239 -12.203 -0.217 1.00 0.00 N ATOM 139 CA ASP A 11 19.922 -10.954 -0.534 1.00 0.00 C ATOM 140 C ASP A 11 19.145 -10.161 -1.581 1.00 0.00 C ATOM 141 O ASP A 11 19.021 -8.939 -1.483 1.00 0.00 O ATOM 142 CB ASP A 11 21.338 -11.236 -1.038 1.00 0.00 C ATOM 143 CG ASP A 11 21.927 -10.064 -1.798 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.510 -9.169 -1.150 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.806 -10.041 -3.040 1.00 0.00 O ATOM 0 H ASP A 11 19.803 -13.041 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 11 19.981 -10.359 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.981 -11.476 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.322 -12.113 -1.685 1.00 0.00 H new ATOM 150 N LYS A 12 18.625 -10.862 -2.582 1.00 0.00 N ATOM 151 CA LYS A 12 17.860 -10.225 -3.647 1.00 0.00 C ATOM 152 C LYS A 12 16.534 -9.688 -3.118 1.00 0.00 C ATOM 153 O LYS A 12 16.229 -8.505 -3.268 1.00 0.00 O ATOM 154 CB LYS A 12 17.604 -11.217 -4.783 1.00 0.00 C ATOM 155 CG LYS A 12 18.813 -11.449 -5.673 1.00 0.00 C ATOM 156 CD LYS A 12 18.447 -11.358 -7.145 1.00 0.00 C ATOM 157 CE LYS A 12 18.465 -9.919 -7.637 1.00 0.00 C ATOM 158 NZ LYS A 12 18.463 -9.840 -9.124 1.00 0.00 N ATOM 0 H LYS A 12 18.720 -11.873 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 12 18.444 -9.388 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.288 -12.170 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.779 -10.852 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.583 -10.712 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.238 -12.431 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.147 -11.953 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.456 -11.785 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.596 -9.390 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.349 -9.413 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.476 -8.843 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.305 -10.322 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.607 -10.300 -9.495 1.00 0.00 H new ATOM 172 N ALA A 13 15.751 -10.564 -2.499 1.00 0.00 N ATOM 173 CA ALA A 13 14.459 -10.177 -1.945 1.00 0.00 C ATOM 174 C ALA A 13 14.594 -8.959 -1.038 1.00 0.00 C ATOM 175 O ALA A 13 13.688 -8.128 -0.958 1.00 0.00 O ATOM 176 CB ALA A 13 13.842 -11.340 -1.182 1.00 0.00 C ATOM 0 H ALA A 13 15.988 -11.547 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 13 13.802 -9.910 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.878 -11.037 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.701 -12.184 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.505 -11.633 -0.368 1.00 0.00 H new ATOM 182 N LEU A 14 15.729 -8.859 -0.355 1.00 0.00 N ATOM 183 CA LEU A 14 15.982 -7.741 0.548 1.00 0.00 C ATOM 184 C LEU A 14 16.120 -6.435 -0.227 1.00 0.00 C ATOM 185 O LEU A 14 15.472 -5.440 0.095 1.00 0.00 O ATOM 186 CB LEU A 14 17.249 -7.998 1.366 1.00 0.00 C ATOM 187 CG LEU A 14 18.019 -6.757 1.819 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.163 -5.905 2.744 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.316 -7.155 2.507 1.00 0.00 C ATOM 0 H LEU A 14 16.488 -9.538 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 14 15.132 -7.652 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.976 -8.574 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.919 -8.621 0.774 1.00 0.00 H new ATOM 0 HG LEU A 14 18.265 -6.165 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.728 -5.027 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.262 -5.589 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.885 -6.488 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.850 -6.259 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.092 -7.769 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.937 -7.722 1.813 1.00 0.00 H new ATOM 201 N ASN A 15 16.967 -6.447 -1.251 1.00 0.00 N ATOM 202 CA ASN A 15 17.188 -5.263 -2.074 1.00 0.00 C ATOM 203 C ASN A 15 15.920 -4.884 -2.834 1.00 0.00 C ATOM 204 O ASN A 15 15.664 -3.707 -3.083 1.00 0.00 O ATOM 205 CB ASN A 15 18.332 -5.509 -3.060 1.00 0.00 C ATOM 206 CG ASN A 15 19.557 -6.100 -2.388 1.00 0.00 C ATOM 207 OD1 ASN A 15 19.913 -5.717 -1.274 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.207 -7.039 -3.066 1.00 0.00 N ATOM 0 H ASN A 15 17.511 -7.263 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 15 17.456 -4.437 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.992 -6.183 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.602 -4.569 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.038 -7.474 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.875 -7.325 -3.987 1.00 0.00 H new ATOM 215 N GLN A 16 15.132 -5.890 -3.198 1.00 0.00 N ATOM 216 CA GLN A 16 13.891 -5.662 -3.929 1.00 0.00 C ATOM 217 C GLN A 16 12.950 -4.762 -3.135 1.00 0.00 C ATOM 218 O GLN A 16 12.516 -3.718 -3.622 1.00 0.00 O ATOM 219 CB GLN A 16 13.204 -6.993 -4.237 1.00 0.00 C ATOM 220 CG GLN A 16 14.054 -7.937 -5.073 1.00 0.00 C ATOM 221 CD GLN A 16 13.622 -7.980 -6.526 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.742 -7.229 -6.946 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.242 -8.861 -7.302 1.00 0.00 N ATOM 0 H GLN A 16 15.330 -6.870 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 16 14.137 -5.163 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.945 -7.484 -3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.269 -6.797 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.097 -7.626 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.997 -8.941 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.966 -9.464 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.994 -8.935 -8.289 1.00 0.00 H new ATOM 232 N TYR A 17 12.637 -5.174 -1.912 1.00 0.00 N ATOM 233 CA TYR A 17 11.744 -4.406 -1.052 1.00 0.00 C ATOM 234 C TYR A 17 12.444 -3.162 -0.513 1.00 0.00 C ATOM 235 O TYR A 17 11.823 -2.115 -0.336 1.00 0.00 O ATOM 236 CB TYR A 17 11.252 -5.271 0.109 1.00 0.00 C ATOM 237 CG TYR A 17 12.108 -5.163 1.351 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.893 -4.155 2.282 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.132 -6.071 1.593 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.674 -4.052 3.417 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.917 -5.977 2.726 1.00 0.00 C ATOM 242 CZ TYR A 17 13.685 -4.965 3.634 1.00 0.00 C ATOM 243 OH TYR A 17 14.464 -4.867 4.765 1.00 0.00 O ATOM 0 H TYR A 17 12.988 -6.035 -1.493 1.00 0.00 H new ATOM 0 HA TYR A 17 10.889 -4.090 -1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.230 -4.985 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.222 -6.312 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.102 -3.439 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.317 -6.864 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.494 -3.261 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.708 -6.692 2.900 1.00 0.00 H new ATOM 0 HH TYR A 17 15.129 -5.587 4.767 1.00 0.00 H new ATOM 253 N ALA A 18 13.741 -3.286 -0.254 1.00 0.00 N ATOM 254 CA ALA A 18 14.527 -2.172 0.262 1.00 0.00 C ATOM 255 C ALA A 18 14.506 -0.992 -0.703 1.00 0.00 C ATOM 256 O ALA A 18 14.553 0.165 -0.285 1.00 0.00 O ATOM 257 CB ALA A 18 15.959 -2.615 0.527 1.00 0.00 C ATOM 0 H ALA A 18 14.270 -4.147 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 18 14.079 -1.847 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.535 -1.773 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.961 -3.421 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.408 -2.968 -0.401 1.00 0.00 H new ATOM 263 N ALA A 19 14.436 -1.292 -1.996 1.00 0.00 N ATOM 264 CA ALA A 19 14.408 -0.255 -3.020 1.00 0.00 C ATOM 265 C ALA A 19 13.025 0.381 -3.120 1.00 0.00 C ATOM 266 O ALA A 19 12.894 1.556 -3.464 1.00 0.00 O ATOM 267 CB ALA A 19 14.825 -0.830 -4.365 1.00 0.00 C ATOM 0 H ALA A 19 14.398 -2.244 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 19 15.117 0.522 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.799 -0.044 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.836 -1.230 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.139 -1.628 -4.648 1.00 0.00 H new ATOM 273 N HIS A 20 11.995 -0.404 -2.817 1.00 0.00 N ATOM 274 CA HIS A 20 10.621 0.083 -2.873 1.00 0.00 C ATOM 275 C HIS A 20 10.303 0.951 -1.659 1.00 0.00 C ATOM 276 O HIS A 20 9.438 1.826 -1.719 1.00 0.00 O ATOM 277 CB HIS A 20 9.644 -1.091 -2.945 1.00 0.00 C ATOM 278 CG HIS A 20 8.826 -1.267 -1.703 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.726 -0.489 -1.410 1.00 0.00 N ATOM 280 CD2 HIS A 20 8.953 -2.139 -0.676 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.212 -0.874 -0.256 1.00 0.00 C ATOM 282 NE2 HIS A 20 7.937 -1.875 0.210 1.00 0.00 N ATOM 0 H HIS A 20 12.086 -1.379 -2.531 1.00 0.00 H new ATOM 0 HA HIS A 20 10.513 0.691 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.975 -0.945 -3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.203 -2.007 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.712 -2.901 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.346 -0.444 0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.770 -2.371 1.085 1.00 0.00 H new ATOM 290 N SER A 21 11.006 0.703 -0.559 1.00 0.00 N ATOM 291 CA SER A 21 10.795 1.459 0.670 1.00 0.00 C ATOM 292 C SER A 21 11.569 2.773 0.639 1.00 0.00 C ATOM 293 O SER A 21 10.988 3.851 0.757 1.00 0.00 O ATOM 294 CB SER A 21 11.223 0.631 1.883 1.00 0.00 C ATOM 295 OG SER A 21 10.298 -0.411 2.142 1.00 0.00 O ATOM 0 H SER A 21 11.727 -0.016 -0.493 1.00 0.00 H new ATOM 0 HA SER A 21 9.732 1.685 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.212 0.208 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.303 1.276 2.758 1.00 0.00 H new ATOM 0 HG SER A 21 10.784 -1.232 2.365 1.00 0.00 H new ATOM 301 N GLY A 22 12.885 2.675 0.479 1.00 0.00 N ATOM 302 CA GLY A 22 13.718 3.862 0.436 1.00 0.00 C ATOM 303 C GLY A 22 14.564 4.023 1.683 1.00 0.00 C ATOM 304 O GLY A 22 14.896 5.141 2.077 1.00 0.00 O ATOM 0 H GLY A 22 13.389 1.794 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.369 3.814 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.086 4.741 0.314 1.00 0.00 H new ATOM 308 N PHE A 23 14.913 2.903 2.308 1.00 0.00 N ATOM 309 CA PHE A 23 15.723 2.925 3.520 1.00 0.00 C ATOM 310 C PHE A 23 16.886 1.943 3.414 1.00 0.00 C ATOM 311 O PHE A 23 16.956 1.143 2.481 1.00 0.00 O ATOM 312 CB PHE A 23 14.864 2.586 4.740 1.00 0.00 C ATOM 313 CG PHE A 23 14.631 1.113 4.918 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.892 0.398 3.988 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.150 0.443 6.014 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.675 -0.958 4.150 1.00 0.00 C ATOM 317 CE2 PHE A 23 14.936 -0.912 6.181 1.00 0.00 C ATOM 318 CZ PHE A 23 14.199 -1.614 5.247 1.00 0.00 C ATOM 0 H PHE A 23 14.647 1.969 1.995 1.00 0.00 H new ATOM 0 HA PHE A 23 16.128 3.930 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.346 2.980 5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.902 3.090 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.481 0.906 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.729 0.986 6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.096 -1.504 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.345 -1.422 7.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.033 -2.674 5.374 1.00 0.00 H new ATOM 328 N THR A 24 17.799 2.010 4.379 1.00 0.00 N ATOM 329 CA THR A 24 18.960 1.129 4.394 1.00 0.00 C ATOM 330 C THR A 24 18.821 0.055 5.468 1.00 0.00 C ATOM 331 O THR A 24 18.175 0.269 6.494 1.00 0.00 O ATOM 332 CB THR A 24 20.261 1.917 4.638 1.00 0.00 C ATOM 333 OG1 THR A 24 20.323 3.044 3.757 1.00 0.00 O ATOM 334 CG2 THR A 24 21.479 1.032 4.425 1.00 0.00 C ATOM 0 H THR A 24 17.756 2.665 5.160 1.00 0.00 H new ATOM 0 HA THR A 24 19.010 0.655 3.414 1.00 0.00 H new ATOM 0 HB THR A 24 20.261 2.264 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.152 3.541 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.385 1.611 4.603 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.444 0.191 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.483 0.658 3.401 1.00 0.00 H new ATOM 342 N LEU A 25 19.432 -1.099 5.225 1.00 0.00 N ATOM 343 CA LEU A 25 19.377 -2.208 6.172 1.00 0.00 C ATOM 344 C LEU A 25 20.738 -2.883 6.299 1.00 0.00 C ATOM 345 O LEU A 25 21.421 -3.118 5.302 1.00 0.00 O ATOM 346 CB LEU A 25 18.327 -3.229 5.732 1.00 0.00 C ATOM 347 CG LEU A 25 18.095 -4.405 6.681 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.794 -4.224 7.447 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.085 -5.718 5.912 1.00 0.00 C ATOM 0 H LEU A 25 19.971 -1.292 4.381 1.00 0.00 H new ATOM 0 HA LEU A 25 19.098 -1.808 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.380 -2.709 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.620 -3.625 4.760 1.00 0.00 H new ATOM 0 HG LEU A 25 18.915 -4.434 7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.646 -5.071 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.840 -3.304 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.963 -4.168 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.919 -6.544 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.286 -5.699 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.043 -5.853 5.410 1.00 0.00 H new ATOM 361 N SER A 26 21.126 -3.196 7.532 1.00 0.00 N ATOM 362 CA SER A 26 22.406 -3.844 7.790 1.00 0.00 C ATOM 363 C SER A 26 22.207 -5.173 8.510 1.00 0.00 C ATOM 364 O SER A 26 21.952 -5.208 9.714 1.00 0.00 O ATOM 365 CB SER A 26 23.306 -2.929 8.623 1.00 0.00 C ATOM 366 OG SER A 26 24.614 -2.870 8.081 1.00 0.00 O ATOM 0 H SER A 26 20.571 -3.011 8.368 1.00 0.00 H new ATOM 0 HA SER A 26 22.886 -4.039 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.878 -1.927 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.350 -3.293 9.649 1.00 0.00 H new ATOM 0 HG SER A 26 25.169 -2.278 8.630 1.00 0.00 H new ATOM 372 N VAL A 27 22.326 -6.267 7.764 1.00 0.00 N ATOM 373 CA VAL A 27 22.160 -7.601 8.331 1.00 0.00 C ATOM 374 C VAL A 27 23.301 -8.521 7.913 1.00 0.00 C ATOM 375 O VAL A 27 23.732 -8.508 6.759 1.00 0.00 O ATOM 376 CB VAL A 27 20.822 -8.231 7.900 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.636 -8.112 6.395 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.753 -9.685 8.341 1.00 0.00 C ATOM 0 H VAL A 27 22.537 -6.256 6.766 1.00 0.00 H new ATOM 0 HA VAL A 27 22.167 -7.488 9.415 1.00 0.00 H new ATOM 0 HB VAL A 27 20.011 -7.689 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.686 -8.562 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.639 -7.060 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.450 -8.628 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.801 -10.115 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.571 -10.243 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.837 -9.740 9.426 1.00 0.00 H new ATOM 388 N ASP A 28 23.786 -9.319 8.857 1.00 0.00 N ATOM 389 CA ASP A 28 24.877 -10.248 8.587 1.00 0.00 C ATOM 390 C ASP A 28 24.430 -11.347 7.628 1.00 0.00 C ATOM 391 O ASP A 28 23.844 -12.346 8.044 1.00 0.00 O ATOM 392 CB ASP A 28 25.384 -10.867 9.891 1.00 0.00 C ATOM 393 CG ASP A 28 26.294 -9.930 10.661 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.106 -9.232 10.019 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.195 -9.896 11.906 1.00 0.00 O ATOM 0 H ASP A 28 23.441 -9.341 9.817 1.00 0.00 H new ATOM 0 HA ASP A 28 25.688 -9.690 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.533 -11.138 10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.921 -11.789 9.668 1.00 0.00 H new ATOM 400 N ALA A 29 24.710 -11.155 6.344 1.00 0.00 N ATOM 401 CA ALA A 29 24.338 -12.130 5.326 1.00 0.00 C ATOM 402 C ALA A 29 25.246 -13.354 5.380 1.00 0.00 C ATOM 403 O ALA A 29 25.031 -14.330 4.661 1.00 0.00 O ATOM 404 CB ALA A 29 24.385 -11.495 3.944 1.00 0.00 C ATOM 0 H ALA A 29 25.194 -10.333 5.983 1.00 0.00 H new ATOM 0 HA ALA A 29 23.318 -12.458 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.105 -12.235 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 29 23.689 -10.657 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.395 -11.138 3.742 1.00 0.00 H new ATOM 410 N SER A 30 26.261 -13.294 6.236 1.00 0.00 N ATOM 411 CA SER A 30 27.205 -14.397 6.380 1.00 0.00 C ATOM 412 C SER A 30 26.471 -15.716 6.597 1.00 0.00 C ATOM 413 O SER A 30 26.763 -16.718 5.943 1.00 0.00 O ATOM 414 CB SER A 30 28.157 -14.131 7.548 1.00 0.00 C ATOM 415 OG SER A 30 27.474 -13.539 8.638 1.00 0.00 O ATOM 0 H SER A 30 26.451 -12.494 6.840 1.00 0.00 H new ATOM 0 HA SER A 30 27.783 -14.471 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.616 -15.067 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 30 28.964 -13.475 7.221 1.00 0.00 H new ATOM 0 HG SER A 30 28.104 -13.381 9.372 1.00 0.00 H new ATOM 421 N LEU A 31 25.515 -15.709 7.520 1.00 0.00 N ATOM 422 CA LEU A 31 24.737 -16.904 7.826 1.00 0.00 C ATOM 423 C LEU A 31 23.574 -17.060 6.851 1.00 0.00 C ATOM 424 O LEU A 31 22.915 -18.100 6.815 1.00 0.00 O ATOM 425 CB LEU A 31 24.211 -16.841 9.261 1.00 0.00 C ATOM 426 CG LEU A 31 23.715 -15.474 9.734 1.00 0.00 C ATOM 427 CD1 LEU A 31 22.629 -14.950 8.808 1.00 0.00 C ATOM 428 CD2 LEU A 31 23.204 -15.559 11.165 1.00 0.00 C ATOM 0 H LEU A 31 25.260 -14.888 8.070 1.00 0.00 H new ATOM 0 HA LEU A 31 25.391 -17.770 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.394 -17.556 9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.004 -17.170 9.932 1.00 0.00 H new ATOM 0 HG LEU A 31 24.552 -14.776 9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 31 22.289 -13.976 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.028 -14.851 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 31 21.791 -15.646 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.855 -14.577 11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.381 -16.271 11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.010 -15.889 11.820 1.00 0.00 H new ATOM 440 N THR A 32 23.328 -16.021 6.060 1.00 0.00 N ATOM 441 CA THR A 32 22.245 -16.042 5.085 1.00 0.00 C ATOM 442 C THR A 32 22.613 -16.892 3.874 1.00 0.00 C ATOM 443 O THR A 32 21.787 -17.646 3.358 1.00 0.00 O ATOM 444 CB THR A 32 21.887 -14.621 4.611 1.00 0.00 C ATOM 445 OG1 THR A 32 21.405 -13.844 5.713 1.00 0.00 O ATOM 446 CG2 THR A 32 20.833 -14.665 3.515 1.00 0.00 C ATOM 0 H THR A 32 23.865 -15.154 6.075 1.00 0.00 H new ATOM 0 HA THR A 32 21.380 -16.479 5.583 1.00 0.00 H new ATOM 0 HB THR A 32 22.788 -14.159 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.181 -12.941 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 32 20.597 -13.650 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 32 21.215 -15.232 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 32 19.932 -15.145 3.896 1.00 0.00 H new ATOM 454 N ARG A 33 23.858 -16.766 3.425 1.00 0.00 N ATOM 455 CA ARG A 33 24.335 -17.522 2.273 1.00 0.00 C ATOM 456 C ARG A 33 24.055 -19.012 2.448 1.00 0.00 C ATOM 457 O ARG A 33 24.636 -19.666 3.314 1.00 0.00 O ATOM 458 CB ARG A 33 25.834 -17.294 2.071 1.00 0.00 C ATOM 459 CG ARG A 33 26.157 -16.351 0.923 1.00 0.00 C ATOM 460 CD ARG A 33 25.656 -16.898 -0.404 1.00 0.00 C ATOM 461 NE ARG A 33 26.179 -16.143 -1.540 1.00 0.00 N ATOM 462 CZ ARG A 33 27.390 -16.330 -2.052 1.00 0.00 C ATOM 463 NH1 ARG A 33 28.199 -17.243 -1.533 1.00 0.00 N ATOM 464 NH2 ARG A 33 27.794 -15.603 -3.086 1.00 0.00 N ATOM 0 H ARG A 33 24.554 -16.148 3.841 1.00 0.00 H new ATOM 0 HA ARG A 33 23.799 -17.170 1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 33 26.259 -16.892 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.318 -18.254 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.703 -15.378 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.235 -16.196 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.948 -17.944 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.567 -16.869 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 33 25.581 -15.433 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.892 -17.804 -0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 33 29.129 -17.385 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.174 -14.900 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.724 -15.747 -3.479 1.00 0.00 H new ATOM 478 N GLY A 34 23.161 -19.543 1.619 1.00 0.00 N ATOM 479 CA GLY A 34 22.820 -20.951 1.699 1.00 0.00 C ATOM 480 C GLY A 34 21.440 -21.246 1.145 1.00 0.00 C ATOM 481 O GLY A 34 21.284 -22.088 0.260 1.00 0.00 O ATOM 0 H GLY A 34 22.667 -19.023 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.560 -21.533 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.867 -21.275 2.739 1.00 0.00 H new ATOM 485 N LYS A 35 20.434 -20.552 1.667 1.00 0.00 N ATOM 486 CA LYS A 35 19.060 -20.742 1.221 1.00 0.00 C ATOM 487 C LYS A 35 18.457 -19.427 0.737 1.00 0.00 C ATOM 488 O LYS A 35 19.092 -18.376 0.821 1.00 0.00 O ATOM 489 CB LYS A 35 18.209 -21.319 2.355 1.00 0.00 C ATOM 490 CG LYS A 35 17.612 -20.260 3.266 1.00 0.00 C ATOM 491 CD LYS A 35 18.688 -19.379 3.877 1.00 0.00 C ATOM 492 CE LYS A 35 18.207 -18.720 5.161 1.00 0.00 C ATOM 493 NZ LYS A 35 18.172 -19.681 6.298 1.00 0.00 N ATOM 0 H LYS A 35 20.546 -19.852 2.400 1.00 0.00 H new ATOM 0 HA LYS A 35 19.069 -21.445 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.403 -21.914 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.822 -21.995 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.914 -19.643 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.041 -20.742 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.575 -19.977 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.981 -18.612 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.864 -17.887 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.211 -18.305 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.038 -19.161 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.385 -20.347 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.068 -20.207 6.336 1.00 0.00 H new ATOM 507 N GLN A 36 17.229 -19.494 0.232 1.00 0.00 N ATOM 508 CA GLN A 36 16.542 -18.307 -0.264 1.00 0.00 C ATOM 509 C GLN A 36 15.457 -17.860 0.710 1.00 0.00 C ATOM 510 O GLN A 36 15.083 -18.599 1.621 1.00 0.00 O ATOM 511 CB GLN A 36 15.929 -18.584 -1.637 1.00 0.00 C ATOM 512 CG GLN A 36 15.214 -19.923 -1.726 1.00 0.00 C ATOM 513 CD GLN A 36 14.056 -20.032 -0.753 1.00 0.00 C ATOM 514 OE1 GLN A 36 13.185 -19.163 -0.708 1.00 0.00 O ATOM 515 NE2 GLN A 36 14.041 -21.103 0.031 1.00 0.00 N ATOM 0 H GLN A 36 16.690 -20.357 0.156 1.00 0.00 H new ATOM 0 HA GLN A 36 17.275 -17.505 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.224 -17.788 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.716 -18.551 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.845 -20.067 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.926 -20.725 -1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.784 -21.798 -0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.286 -21.231 0.705 1.00 0.00 H new ATOM 524 N SER A 37 14.956 -16.645 0.512 1.00 0.00 N ATOM 525 CA SER A 37 13.916 -16.097 1.376 1.00 0.00 C ATOM 526 C SER A 37 12.617 -15.896 0.601 1.00 0.00 C ATOM 527 O SER A 37 12.624 -15.771 -0.622 1.00 0.00 O ATOM 528 CB SER A 37 14.374 -14.768 1.980 1.00 0.00 C ATOM 529 OG SER A 37 13.847 -13.670 1.255 1.00 0.00 O ATOM 0 H SER A 37 15.253 -16.021 -0.239 1.00 0.00 H new ATOM 0 HA SER A 37 13.732 -16.809 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.054 -14.708 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 37 15.463 -14.720 1.978 1.00 0.00 H new ATOM 0 HG SER A 37 14.153 -12.832 1.662 1.00 0.00 H new ATOM 535 N ASN A 38 11.503 -15.867 1.325 1.00 0.00 N ATOM 536 CA ASN A 38 10.195 -15.682 0.707 1.00 0.00 C ATOM 537 C ASN A 38 9.986 -14.226 0.301 1.00 0.00 C ATOM 538 O ASN A 38 10.156 -13.315 1.110 1.00 0.00 O ATOM 539 CB ASN A 38 9.087 -16.119 1.669 1.00 0.00 C ATOM 540 CG ASN A 38 7.832 -16.562 0.941 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.887 -15.789 0.784 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.818 -17.813 0.495 1.00 0.00 N ATOM 0 H ASN A 38 11.480 -15.969 2.340 1.00 0.00 H new ATOM 0 HA ASN A 38 10.154 -16.300 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.451 -16.937 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.844 -15.294 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.001 -18.169 -0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.625 -18.418 0.648 1.00 0.00 H new ATOM 549 N GLY A 39 9.614 -14.016 -0.958 1.00 0.00 N ATOM 550 CA GLY A 39 9.388 -12.670 -1.450 1.00 0.00 C ATOM 551 C GLY A 39 8.147 -12.036 -0.854 1.00 0.00 C ATOM 552 O GLY A 39 7.582 -12.549 0.114 1.00 0.00 O ATOM 0 H GLY A 39 9.465 -14.754 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.255 -12.051 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.294 -12.694 -2.536 1.00 0.00 H new ATOM 556 N LEU A 40 7.720 -10.918 -1.430 1.00 0.00 N ATOM 557 CA LEU A 40 6.538 -10.212 -0.949 1.00 0.00 C ATOM 558 C LEU A 40 5.385 -10.342 -1.939 1.00 0.00 C ATOM 559 O LEU A 40 5.594 -10.638 -3.116 1.00 0.00 O ATOM 560 CB LEU A 40 6.861 -8.735 -0.717 1.00 0.00 C ATOM 561 CG LEU A 40 5.748 -7.895 -0.090 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.312 -8.493 1.239 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.207 -6.456 0.096 1.00 0.00 C ATOM 0 H LEU A 40 8.175 -10.481 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 40 6.235 -10.664 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.741 -8.672 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.131 -8.288 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 40 4.892 -7.898 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.519 -7.882 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.943 -9.506 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.161 -8.520 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.402 -5.872 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.079 -6.434 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.469 -6.030 -0.872 1.00 0.00 H new ATOM 575 N HIS A 41 4.167 -10.118 -1.454 1.00 0.00 N ATOM 576 CA HIS A 41 2.981 -10.208 -2.297 1.00 0.00 C ATOM 577 C HIS A 41 1.806 -9.469 -1.663 1.00 0.00 C ATOM 578 O HIS A 41 1.157 -9.982 -0.751 1.00 0.00 O ATOM 579 CB HIS A 41 2.609 -11.671 -2.537 1.00 0.00 C ATOM 580 CG HIS A 41 2.067 -11.935 -3.908 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.754 -11.702 -4.257 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.671 -12.413 -5.022 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.572 -12.027 -5.524 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.721 -12.461 -6.012 1.00 0.00 N ATOM 0 H HIS A 41 3.976 -9.873 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 41 3.209 -9.738 -3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.491 -12.292 -2.378 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.868 -11.975 -1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.707 -12.703 -5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.358 -11.951 -6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.877 -12.780 -6.968 1.00 0.00 H new ATOM 592 N GLY A 42 1.539 -8.262 -2.150 1.00 0.00 N ATOM 593 CA GLY A 42 0.443 -7.473 -1.618 1.00 0.00 C ATOM 594 C GLY A 42 0.884 -6.089 -1.182 1.00 0.00 C ATOM 595 O GLY A 42 2.023 -5.689 -1.420 1.00 0.00 O ATOM 0 H GLY A 42 2.062 -7.816 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.336 -7.381 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.002 -7.995 -0.769 1.00 0.00 H new ATOM 599 N ASP A 43 -0.021 -5.356 -0.542 1.00 0.00 N ATOM 600 CA ASP A 43 0.280 -4.009 -0.072 1.00 0.00 C ATOM 601 C ASP A 43 0.833 -4.041 1.349 1.00 0.00 C ATOM 602 O ASP A 43 0.147 -4.456 2.284 1.00 0.00 O ATOM 603 CB ASP A 43 -0.974 -3.135 -0.125 1.00 0.00 C ATOM 604 CG ASP A 43 -2.136 -3.744 0.635 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.843 -4.594 0.056 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.339 -3.368 1.809 1.00 0.00 O ATOM 0 H ASP A 43 -0.969 -5.672 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 43 1.038 -3.582 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.747 -2.153 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.264 -2.982 -1.165 1.00 0.00 H new ATOM 611 N TYR A 44 2.077 -3.601 1.504 1.00 0.00 N ATOM 612 CA TYR A 44 2.723 -3.582 2.811 1.00 0.00 C ATOM 613 C TYR A 44 3.771 -2.475 2.884 1.00 0.00 C ATOM 614 O TYR A 44 4.639 -2.368 2.018 1.00 0.00 O ATOM 615 CB TYR A 44 3.374 -4.935 3.101 1.00 0.00 C ATOM 616 CG TYR A 44 2.400 -6.092 3.085 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.564 -6.337 4.167 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.315 -6.938 1.986 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.673 -7.392 4.157 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.425 -7.995 1.967 1.00 0.00 C ATOM 621 CZ TYR A 44 0.607 -8.219 3.054 1.00 0.00 C ATOM 622 OH TYR A 44 -0.280 -9.270 3.040 1.00 0.00 O ATOM 0 H TYR A 44 2.658 -3.253 0.741 1.00 0.00 H new ATOM 0 HA TYR A 44 1.959 -3.385 3.563 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.155 -5.118 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.860 -4.893 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.612 -5.691 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.955 -6.767 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.031 -7.569 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.370 -8.643 1.105 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.202 -9.753 2.191 1.00 0.00 H new ATOM 632 N ASP A 45 3.683 -1.655 3.925 1.00 0.00 N ATOM 633 CA ASP A 45 4.623 -0.556 4.115 1.00 0.00 C ATOM 634 C ASP A 45 6.054 -1.077 4.215 1.00 0.00 C ATOM 635 O ASP A 45 6.305 -2.270 4.042 1.00 0.00 O ATOM 636 CB ASP A 45 4.267 0.237 5.373 1.00 0.00 C ATOM 637 CG ASP A 45 2.873 0.831 5.307 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.348 0.987 4.186 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.309 1.139 6.378 1.00 0.00 O ATOM 0 H ASP A 45 2.970 -1.730 4.651 1.00 0.00 H new ATOM 0 HA ASP A 45 4.554 0.102 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.340 -0.415 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.994 1.037 5.513 1.00 0.00 H new ATOM 644 N VAL A 46 6.989 -0.174 4.495 1.00 0.00 N ATOM 645 CA VAL A 46 8.394 -0.542 4.619 1.00 0.00 C ATOM 646 C VAL A 46 8.603 -1.544 5.748 1.00 0.00 C ATOM 647 O VAL A 46 9.300 -2.545 5.582 1.00 0.00 O ATOM 648 CB VAL A 46 9.277 0.694 4.874 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.761 1.481 6.069 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.726 0.279 5.084 1.00 0.00 C ATOM 0 H VAL A 46 6.798 0.817 4.640 1.00 0.00 H new ATOM 0 HA VAL A 46 8.686 -0.999 3.674 1.00 0.00 H new ATOM 0 HB VAL A 46 9.231 1.339 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.397 2.351 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.740 1.810 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.775 0.847 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.336 1.165 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.793 -0.387 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.089 -0.238 4.196 1.00 0.00 H new ATOM 660 N GLU A 47 7.993 -1.269 6.897 1.00 0.00 N ATOM 661 CA GLU A 47 8.113 -2.148 8.054 1.00 0.00 C ATOM 662 C GLU A 47 7.298 -3.423 7.856 1.00 0.00 C ATOM 663 O GLU A 47 7.817 -4.531 7.988 1.00 0.00 O ATOM 664 CB GLU A 47 7.650 -1.425 9.321 1.00 0.00 C ATOM 665 CG GLU A 47 8.529 -0.247 9.705 1.00 0.00 C ATOM 666 CD GLU A 47 7.729 0.937 10.212 1.00 0.00 C ATOM 667 OE1 GLU A 47 6.568 0.736 10.625 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.265 2.065 10.195 1.00 0.00 O ATOM 0 H GLU A 47 7.411 -0.445 7.051 1.00 0.00 H new ATOM 0 HA GLU A 47 9.162 -2.422 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.629 -1.073 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.628 -2.136 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.234 -0.560 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.117 0.060 8.840 1.00 0.00 H new ATOM 675 N SER A 48 6.018 -3.256 7.539 1.00 0.00 N ATOM 676 CA SER A 48 5.129 -4.393 7.327 1.00 0.00 C ATOM 677 C SER A 48 5.687 -5.326 6.257 1.00 0.00 C ATOM 678 O SER A 48 5.800 -6.533 6.468 1.00 0.00 O ATOM 679 CB SER A 48 3.735 -3.908 6.921 1.00 0.00 C ATOM 680 OG SER A 48 2.760 -4.311 7.867 1.00 0.00 O ATOM 0 H SER A 48 5.573 -2.345 7.423 1.00 0.00 H new ATOM 0 HA SER A 48 5.055 -4.946 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.735 -2.821 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.480 -4.306 5.939 1.00 0.00 H new ATOM 0 HG SER A 48 1.879 -3.988 7.586 1.00 0.00 H new ATOM 686 N GLY A 49 6.034 -4.757 5.106 1.00 0.00 N ATOM 687 CA GLY A 49 6.575 -5.552 4.019 1.00 0.00 C ATOM 688 C GLY A 49 7.893 -6.208 4.382 1.00 0.00 C ATOM 689 O GLY A 49 8.111 -7.384 4.087 1.00 0.00 O ATOM 0 H GLY A 49 5.950 -3.760 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.854 -6.321 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.717 -4.917 3.144 1.00 0.00 H new ATOM 693 N LEU A 50 8.775 -5.448 5.021 1.00 0.00 N ATOM 694 CA LEU A 50 10.079 -5.961 5.423 1.00 0.00 C ATOM 695 C LEU A 50 9.935 -7.261 6.208 1.00 0.00 C ATOM 696 O LEU A 50 10.546 -8.273 5.868 1.00 0.00 O ATOM 697 CB LEU A 50 10.821 -4.923 6.266 1.00 0.00 C ATOM 698 CG LEU A 50 11.809 -5.474 7.294 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.843 -6.362 6.618 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.488 -4.338 8.045 1.00 0.00 C ATOM 0 H LEU A 50 8.610 -4.473 5.272 1.00 0.00 H new ATOM 0 HA LEU A 50 10.655 -6.165 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.362 -4.257 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.083 -4.316 6.790 1.00 0.00 H new ATOM 0 HG LEU A 50 11.256 -6.078 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.538 -6.745 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.341 -7.196 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.392 -5.782 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.188 -4.750 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.028 -3.707 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.735 -3.743 8.562 1.00 0.00 H new ATOM 712 N GLN A 51 9.120 -7.225 7.257 1.00 0.00 N ATOM 713 CA GLN A 51 8.893 -8.401 8.089 1.00 0.00 C ATOM 714 C GLN A 51 8.220 -9.512 7.290 1.00 0.00 C ATOM 715 O GLN A 51 8.340 -10.689 7.626 1.00 0.00 O ATOM 716 CB GLN A 51 8.035 -8.036 9.302 1.00 0.00 C ATOM 717 CG GLN A 51 8.608 -6.901 10.134 1.00 0.00 C ATOM 718 CD GLN A 51 9.278 -7.388 11.403 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.724 -7.271 12.497 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.478 -7.940 11.265 1.00 0.00 N ATOM 0 H GLN A 51 8.606 -6.395 7.551 1.00 0.00 H new ATOM 0 HA GLN A 51 9.861 -8.763 8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.038 -7.757 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.921 -8.917 9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.331 -6.346 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.809 -6.206 10.393 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.901 -8.017 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.977 -8.287 12.084 1.00 0.00 H new ATOM 729 N GLN A 52 7.513 -9.128 6.232 1.00 0.00 N ATOM 730 CA GLN A 52 6.820 -10.093 5.387 1.00 0.00 C ATOM 731 C GLN A 52 7.802 -10.823 4.477 1.00 0.00 C ATOM 732 O GLN A 52 7.555 -11.956 4.061 1.00 0.00 O ATOM 733 CB GLN A 52 5.753 -9.391 4.545 1.00 0.00 C ATOM 734 CG GLN A 52 4.393 -10.068 4.600 1.00 0.00 C ATOM 735 CD GLN A 52 4.382 -11.413 3.901 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.673 -11.509 2.709 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.046 -12.463 4.642 1.00 0.00 N ATOM 0 H GLN A 52 7.405 -8.157 5.940 1.00 0.00 H new ATOM 0 HA GLN A 52 6.339 -10.826 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.651 -8.361 4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.088 -9.351 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.100 -10.202 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.649 -9.418 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.812 -12.338 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.022 -13.394 4.226 1.00 0.00 H new ATOM 746 N LEU A 53 8.917 -10.168 4.171 1.00 0.00 N ATOM 747 CA LEU A 53 9.937 -10.755 3.309 1.00 0.00 C ATOM 748 C LEU A 53 10.702 -11.853 4.041 1.00 0.00 C ATOM 749 O LEU A 53 10.774 -12.991 3.575 1.00 0.00 O ATOM 750 CB LEU A 53 10.908 -9.676 2.827 1.00 0.00 C ATOM 751 CG LEU A 53 10.629 -9.091 1.442 1.00 0.00 C ATOM 752 CD1 LEU A 53 10.113 -10.170 0.502 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.633 -7.945 1.538 1.00 0.00 C ATOM 0 H LEU A 53 9.137 -9.230 4.507 1.00 0.00 H new ATOM 0 HA LEU A 53 9.438 -11.198 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.903 -8.861 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.914 -10.095 2.826 1.00 0.00 H new ATOM 0 HG LEU A 53 11.563 -8.701 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.920 -9.736 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.859 -10.959 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.190 -10.589 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.446 -7.541 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.698 -8.310 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.040 -7.162 2.177 1.00 0.00 H new ATOM 765 N LEU A 54 11.269 -11.506 5.191 1.00 0.00 N ATOM 766 CA LEU A 54 12.027 -12.463 5.990 1.00 0.00 C ATOM 767 C LEU A 54 11.094 -13.333 6.826 1.00 0.00 C ATOM 768 O LEU A 54 11.535 -14.268 7.495 1.00 0.00 O ATOM 769 CB LEU A 54 13.012 -11.729 6.901 1.00 0.00 C ATOM 770 CG LEU A 54 12.533 -11.459 8.328 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.088 -10.984 8.325 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.685 -12.706 9.187 1.00 0.00 C ATOM 0 H LEU A 54 11.218 -10.569 5.591 1.00 0.00 H new ATOM 0 HA LEU A 54 12.583 -13.108 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.932 -12.311 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.264 -10.775 6.437 1.00 0.00 H new ATOM 0 HG LEU A 54 13.152 -10.670 8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.764 -10.797 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.009 -10.064 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.454 -11.750 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.339 -12.495 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.091 -13.515 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.734 -13.002 9.216 1.00 0.00 H new ATOM 784 N ASP A 55 9.804 -13.021 6.782 1.00 0.00 N ATOM 785 CA ASP A 55 8.808 -13.776 7.533 1.00 0.00 C ATOM 786 C ASP A 55 8.993 -15.276 7.325 1.00 0.00 C ATOM 787 O ASP A 55 8.875 -15.777 6.207 1.00 0.00 O ATOM 788 CB ASP A 55 7.397 -13.361 7.113 1.00 0.00 C ATOM 789 CG ASP A 55 6.521 -13.008 8.298 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.504 -13.784 9.276 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.851 -11.955 8.248 1.00 0.00 O ATOM 0 H ASP A 55 9.423 -12.250 6.234 1.00 0.00 H new ATOM 0 HA ASP A 55 8.943 -13.554 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.458 -12.504 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.934 -14.173 6.552 1.00 0.00 H new ATOM 796 N GLY A 56 9.285 -15.988 8.409 1.00 0.00 N ATOM 797 CA GLY A 56 9.483 -17.423 8.324 1.00 0.00 C ATOM 798 C GLY A 56 10.346 -17.958 9.450 1.00 0.00 C ATOM 799 O GLY A 56 10.312 -19.150 9.754 1.00 0.00 O ATOM 0 H GLY A 56 9.388 -15.596 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.514 -17.922 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.947 -17.667 7.368 1.00 0.00 H new ATOM 803 N SER A 57 11.122 -17.074 10.069 1.00 0.00 N ATOM 804 CA SER A 57 12.002 -17.465 11.164 1.00 0.00 C ATOM 805 C SER A 57 11.585 -16.785 12.465 1.00 0.00 C ATOM 806 O SER A 57 11.577 -17.405 13.528 1.00 0.00 O ATOM 807 CB SER A 57 13.452 -17.110 10.832 1.00 0.00 C ATOM 808 OG SER A 57 13.536 -15.846 10.199 1.00 0.00 O ATOM 0 H SER A 57 11.159 -16.083 9.831 1.00 0.00 H new ATOM 0 HA SER A 57 11.921 -18.544 11.296 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.046 -17.103 11.746 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.877 -17.875 10.182 1.00 0.00 H new ATOM 0 HG SER A 57 14.473 -15.642 9.999 1.00 0.00 H new ATOM 814 N GLY A 58 11.239 -15.504 12.372 1.00 0.00 N ATOM 815 CA GLY A 58 10.826 -14.760 13.547 1.00 0.00 C ATOM 816 C GLY A 58 11.989 -14.082 14.243 1.00 0.00 C ATOM 817 O GLY A 58 12.673 -14.693 15.065 1.00 0.00 O ATOM 0 H GLY A 58 11.238 -14.969 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.092 -14.008 13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.332 -15.435 14.246 1.00 0.00 H new ATOM 821 N LEU A 59 12.217 -12.816 13.912 1.00 0.00 N ATOM 822 CA LEU A 59 13.308 -12.053 14.510 1.00 0.00 C ATOM 823 C LEU A 59 12.864 -10.631 14.836 1.00 0.00 C ATOM 824 O LEU A 59 11.754 -10.224 14.493 1.00 0.00 O ATOM 825 CB LEU A 59 14.511 -12.021 13.566 1.00 0.00 C ATOM 826 CG LEU A 59 15.339 -13.304 13.489 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.947 -14.120 12.268 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.826 -12.978 13.460 1.00 0.00 C ATOM 0 H LEU A 59 11.661 -12.296 13.233 1.00 0.00 H new ATOM 0 HA LEU A 59 13.596 -12.545 15.439 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.155 -11.782 12.564 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.167 -11.207 13.874 1.00 0.00 H new ATOM 0 HG LEU A 59 15.135 -13.899 14.379 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.547 -15.029 12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.891 -14.384 12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.121 -13.533 11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.400 -13.903 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.046 -12.362 12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.097 -12.436 14.366 1.00 0.00 H new ATOM 840 N GLN A 60 13.739 -9.880 15.497 1.00 0.00 N ATOM 841 CA GLN A 60 13.436 -8.503 15.867 1.00 0.00 C ATOM 842 C GLN A 60 14.252 -7.523 15.030 1.00 0.00 C ATOM 843 O GLN A 60 15.369 -7.827 14.613 1.00 0.00 O ATOM 844 CB GLN A 60 13.717 -8.278 17.354 1.00 0.00 C ATOM 845 CG GLN A 60 15.192 -8.091 17.673 1.00 0.00 C ATOM 846 CD GLN A 60 15.650 -8.948 18.837 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.076 -8.895 19.925 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.690 -9.743 18.614 1.00 0.00 N ATOM 0 H GLN A 60 14.662 -10.202 15.787 1.00 0.00 H new ATOM 0 HA GLN A 60 12.378 -8.326 15.674 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.167 -7.399 17.690 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.336 -9.128 17.920 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.784 -8.336 16.791 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.380 -7.042 17.903 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.135 -9.755 17.696 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.043 -10.342 19.360 1.00 0.00 H new ATOM 857 N VAL A 61 13.685 -6.345 14.787 1.00 0.00 N ATOM 858 CA VAL A 61 14.359 -5.320 14.000 1.00 0.00 C ATOM 859 C VAL A 61 14.397 -3.991 14.746 1.00 0.00 C ATOM 860 O VAL A 61 13.425 -3.601 15.394 1.00 0.00 O ATOM 861 CB VAL A 61 13.669 -5.112 12.639 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.646 -4.533 11.627 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.081 -6.422 12.135 1.00 0.00 C ATOM 0 H VAL A 61 12.760 -6.077 15.124 1.00 0.00 H new ATOM 0 HA VAL A 61 15.378 -5.669 13.833 1.00 0.00 H new ATOM 0 HB VAL A 61 12.854 -4.400 12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.140 -4.393 10.672 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.015 -3.572 11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.484 -5.218 11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.597 -6.257 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.877 -7.158 12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.347 -6.791 12.851 1.00 0.00 H new ATOM 873 N LYS A 62 15.526 -3.297 14.650 1.00 0.00 N ATOM 874 CA LYS A 62 15.692 -2.010 15.314 1.00 0.00 C ATOM 875 C LYS A 62 16.605 -1.094 14.505 1.00 0.00 C ATOM 876 O LYS A 62 17.616 -1.520 13.947 1.00 0.00 O ATOM 877 CB LYS A 62 16.267 -2.207 16.719 1.00 0.00 C ATOM 878 CG LYS A 62 17.389 -3.230 16.779 1.00 0.00 C ATOM 879 CD LYS A 62 16.948 -4.500 17.485 1.00 0.00 C ATOM 880 CE LYS A 62 16.665 -4.249 18.959 1.00 0.00 C ATOM 881 NZ LYS A 62 16.855 -5.479 19.777 1.00 0.00 N ATOM 0 H LYS A 62 16.340 -3.605 14.118 1.00 0.00 H new ATOM 0 HA LYS A 62 14.711 -1.541 15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.638 -1.251 17.088 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.466 -2.518 17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.718 -3.470 15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.246 -2.802 17.300 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.053 -4.893 17.003 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.723 -5.260 17.386 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.324 -3.463 19.327 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.643 -3.889 19.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.013 -5.637 20.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.996 -6.296 19.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.689 -5.364 20.388 1.00 0.00 H new ATOM 895 N PRO A 63 16.242 0.196 14.439 1.00 0.00 N ATOM 896 CA PRO A 63 17.016 1.199 13.701 1.00 0.00 C ATOM 897 C PRO A 63 18.351 1.508 14.370 1.00 0.00 C ATOM 898 O PRO A 63 18.542 1.231 15.555 1.00 0.00 O ATOM 899 CB PRO A 63 16.110 2.433 13.723 1.00 0.00 C ATOM 900 CG PRO A 63 15.259 2.256 14.933 1.00 0.00 C ATOM 901 CD PRO A 63 15.049 0.774 15.079 1.00 0.00 C ATOM 0 HA PRO A 63 17.272 0.859 12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.694 3.352 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.505 2.496 12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.746 2.670 15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.308 2.776 14.820 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.972 0.480 16.126 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.132 0.448 14.588 1.00 0.00 H new ATOM 909 N LEU A 64 19.272 2.081 13.604 1.00 0.00 N ATOM 910 CA LEU A 64 20.591 2.428 14.122 1.00 0.00 C ATOM 911 C LEU A 64 20.887 3.909 13.910 1.00 0.00 C ATOM 912 O LEU A 64 21.070 4.660 14.868 1.00 0.00 O ATOM 913 CB LEU A 64 21.667 1.579 13.444 1.00 0.00 C ATOM 914 CG LEU A 64 21.265 0.149 13.082 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.355 -0.521 12.260 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.971 -0.657 14.339 1.00 0.00 C ATOM 0 H LEU A 64 19.130 2.315 12.622 1.00 0.00 H new ATOM 0 HA LEU A 64 20.598 2.225 15.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.982 2.088 12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.535 1.535 14.102 1.00 0.00 H new ATOM 0 HG LEU A 64 20.358 0.189 12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.051 -1.538 12.012 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.517 0.043 11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.280 -0.549 12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.687 -1.672 14.062 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.861 -0.688 14.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.155 -0.189 14.889 1.00 0.00 H new ATOM 928 N GLY A 65 20.931 4.324 12.647 1.00 0.00 N ATOM 929 CA GLY A 65 21.204 5.714 12.332 1.00 0.00 C ATOM 930 C GLY A 65 20.230 6.280 11.318 1.00 0.00 C ATOM 931 O GLY A 65 19.039 6.412 11.597 1.00 0.00 O ATOM 0 H GLY A 65 20.782 3.722 11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.158 6.306 13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.219 5.803 11.945 1.00 0.00 H new ATOM 935 N ASN A 66 20.738 6.617 10.137 1.00 0.00 N ATOM 936 CA ASN A 66 19.904 7.175 9.078 1.00 0.00 C ATOM 937 C ASN A 66 18.999 6.104 8.477 1.00 0.00 C ATOM 938 O ASN A 66 19.383 5.408 7.538 1.00 0.00 O ATOM 939 CB ASN A 66 20.778 7.792 7.984 1.00 0.00 C ATOM 940 CG ASN A 66 20.346 9.200 7.624 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.047 10.170 7.915 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.186 9.319 6.988 1.00 0.00 N ATOM 0 H ASN A 66 21.722 6.514 9.889 1.00 0.00 H new ATOM 0 HA ASN A 66 19.277 7.952 9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.816 7.807 8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.738 7.164 7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.843 10.242 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.638 8.488 6.767 1.00 0.00 H new ATOM 949 N ASN A 67 17.795 5.978 9.026 1.00 0.00 N ATOM 950 CA ASN A 67 16.835 4.992 8.545 1.00 0.00 C ATOM 951 C ASN A 67 17.509 3.643 8.314 1.00 0.00 C ATOM 952 O ASN A 67 17.115 2.883 7.430 1.00 0.00 O ATOM 953 CB ASN A 67 16.181 5.476 7.249 1.00 0.00 C ATOM 954 CG ASN A 67 14.672 5.330 7.273 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.940 6.303 7.094 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.200 4.109 7.494 1.00 0.00 N ATOM 0 H ASN A 67 17.461 6.547 9.804 1.00 0.00 H new ATOM 0 HA ASN A 67 16.067 4.868 9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.439 6.522 7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.585 4.911 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.193 3.949 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.844 3.331 7.637 1.00 0.00 H new ATOM 963 N SER A 68 18.529 3.352 9.116 1.00 0.00 N ATOM 964 CA SER A 68 19.261 2.097 8.998 1.00 0.00 C ATOM 965 C SER A 68 18.743 1.070 10.001 1.00 0.00 C ATOM 966 O SER A 68 18.910 1.227 11.210 1.00 0.00 O ATOM 967 CB SER A 68 20.756 2.331 9.218 1.00 0.00 C ATOM 968 OG SER A 68 21.004 3.649 9.676 1.00 0.00 O ATOM 0 H SER A 68 18.867 3.969 9.855 1.00 0.00 H new ATOM 0 HA SER A 68 19.106 1.708 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.137 1.613 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.295 2.159 8.286 1.00 0.00 H new ATOM 0 HG SER A 68 21.967 3.773 9.810 1.00 0.00 H new ATOM 974 N TRP A 69 18.113 0.019 9.488 1.00 0.00 N ATOM 975 CA TRP A 69 17.569 -1.035 10.338 1.00 0.00 C ATOM 976 C TRP A 69 18.449 -2.280 10.291 1.00 0.00 C ATOM 977 O TRP A 69 19.143 -2.526 9.304 1.00 0.00 O ATOM 978 CB TRP A 69 16.145 -1.386 9.903 1.00 0.00 C ATOM 979 CG TRP A 69 15.199 -0.225 9.977 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.323 0.974 9.336 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.987 -0.155 10.736 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.260 1.787 9.651 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.426 1.117 10.507 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.320 -1.043 11.584 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.232 1.520 11.098 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.135 -0.641 12.169 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.600 0.631 11.924 1.00 0.00 C ATOM 0 H TRP A 69 17.966 -0.126 8.489 1.00 0.00 H new ATOM 0 HA TRP A 69 17.547 -0.666 11.363 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.167 -1.763 8.880 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.769 -2.193 10.532 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.136 1.244 8.679 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.116 2.735 9.304 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.724 -2.026 11.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.819 2.500 10.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.611 -1.319 12.827 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.671 0.915 12.396 1.00 0.00 H new ATOM 998 N THR A 70 18.416 -3.064 11.365 1.00 0.00 N ATOM 999 CA THR A 70 19.211 -4.282 11.446 1.00 0.00 C ATOM 1000 C THR A 70 18.389 -5.439 12.004 1.00 0.00 C ATOM 1001 O THR A 70 17.443 -5.231 12.766 1.00 0.00 O ATOM 1002 CB THR A 70 20.458 -4.082 12.327 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.311 -5.229 12.238 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.064 -3.848 13.778 1.00 0.00 C ATOM 0 H THR A 70 17.847 -2.876 12.190 1.00 0.00 H new ATOM 0 HA THR A 70 19.527 -4.521 10.431 1.00 0.00 H new ATOM 0 HB THR A 70 20.993 -3.204 11.966 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.316 -5.562 11.316 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.961 -3.709 14.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.440 -2.957 13.846 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.508 -4.710 14.148 1.00 0.00 H new ATOM 1012 N LEU A 71 18.755 -6.657 11.622 1.00 0.00 N ATOM 1013 CA LEU A 71 18.052 -7.848 12.085 1.00 0.00 C ATOM 1014 C LEU A 71 18.917 -8.650 13.052 1.00 0.00 C ATOM 1015 O LEU A 71 20.123 -8.792 12.848 1.00 0.00 O ATOM 1016 CB LEU A 71 17.650 -8.723 10.896 1.00 0.00 C ATOM 1017 CG LEU A 71 16.194 -8.612 10.443 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.253 -9.015 11.568 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.888 -7.199 9.970 1.00 0.00 C ATOM 0 H LEU A 71 19.535 -6.846 10.992 1.00 0.00 H new ATOM 0 HA LEU A 71 17.153 -7.527 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.292 -8.472 10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.852 -9.763 11.151 1.00 0.00 H new ATOM 0 HG LEU A 71 16.041 -9.294 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.221 -8.930 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.455 -10.046 11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.408 -8.359 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.847 -7.139 9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.059 -6.497 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.539 -6.947 9.133 1.00 0.00 H new ATOM 1031 N GLU A 72 18.293 -9.173 14.102 1.00 0.00 N ATOM 1032 CA GLU A 72 19.008 -9.962 15.099 1.00 0.00 C ATOM 1033 C GLU A 72 18.075 -10.969 15.767 1.00 0.00 C ATOM 1034 O GLU A 72 16.855 -10.806 15.784 1.00 0.00 O ATOM 1035 CB GLU A 72 19.629 -9.047 16.156 1.00 0.00 C ATOM 1036 CG GLU A 72 18.730 -7.893 16.567 1.00 0.00 C ATOM 1037 CD GLU A 72 18.989 -6.636 15.760 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.168 -6.242 15.639 1.00 0.00 O ATOM 1039 OE2 GLU A 72 18.014 -6.046 15.251 1.00 0.00 O ATOM 0 H GLU A 72 17.295 -9.065 14.285 1.00 0.00 H new ATOM 0 HA GLU A 72 19.802 -10.509 14.591 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.873 -9.639 17.038 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.567 -8.647 15.772 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.688 -8.189 16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.881 -7.679 17.625 1.00 0.00 H new ATOM 1046 N PRO A 73 18.662 -12.035 16.330 1.00 0.00 N ATOM 1047 CA PRO A 73 17.903 -13.089 17.010 1.00 0.00 C ATOM 1048 C PRO A 73 17.291 -12.610 18.322 1.00 0.00 C ATOM 1049 O PRO A 73 17.990 -12.084 19.188 1.00 0.00 O ATOM 1050 CB PRO A 73 18.954 -14.170 17.274 1.00 0.00 C ATOM 1051 CG PRO A 73 20.249 -13.435 17.317 1.00 0.00 C ATOM 1052 CD PRO A 73 20.111 -12.294 16.348 1.00 0.00 C ATOM 0 HA PRO A 73 17.059 -13.432 16.412 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.762 -14.689 18.213 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.953 -14.924 16.487 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.457 -13.070 18.323 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.077 -14.087 17.037 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.672 -11.419 16.676 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.484 -12.560 15.359 1.00 0.00 H new ATOM 1060 N ALA A 74 15.983 -12.795 18.462 1.00 0.00 N ATOM 1061 CA ALA A 74 15.278 -12.383 19.670 1.00 0.00 C ATOM 1062 C ALA A 74 15.027 -13.572 20.591 1.00 0.00 C ATOM 1063 O ALA A 74 15.062 -14.730 20.174 1.00 0.00 O ATOM 1064 CB ALA A 74 13.964 -11.706 19.310 1.00 0.00 C ATOM 0 H ALA A 74 15.390 -13.228 17.754 1.00 0.00 H new ATOM 0 HA ALA A 74 15.907 -11.670 20.203 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.449 -11.404 20.222 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.164 -10.827 18.698 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.337 -12.402 18.752 1.00 0.00 H new ATOM 1070 N PRO A 75 14.769 -13.282 21.876 1.00 0.00 N ATOM 1071 CA PRO A 75 14.508 -14.315 22.883 1.00 0.00 C ATOM 1072 C PRO A 75 13.167 -15.008 22.668 1.00 0.00 C ATOM 1073 O PRO A 75 12.130 -14.354 22.556 1.00 0.00 O ATOM 1074 CB PRO A 75 14.501 -13.533 24.199 1.00 0.00 C ATOM 1075 CG PRO A 75 14.129 -12.143 23.812 1.00 0.00 C ATOM 1076 CD PRO A 75 14.713 -11.925 22.443 1.00 0.00 C ATOM 0 HA PRO A 75 15.249 -15.114 22.850 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.784 -13.953 24.905 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.478 -13.562 24.682 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.046 -12.018 23.799 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.525 -11.420 24.525 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.090 -11.263 21.841 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.702 -11.470 22.496 1.00 0.00 H new ATOM 1084 N ALA A 76 13.195 -16.336 22.611 1.00 0.00 N ATOM 1085 CA ALA A 76 11.980 -17.117 22.412 1.00 0.00 C ATOM 1086 C ALA A 76 10.915 -16.747 23.438 1.00 0.00 C ATOM 1087 O ALA A 76 11.204 -16.179 24.491 1.00 0.00 O ATOM 1088 CB ALA A 76 12.292 -18.605 22.485 1.00 0.00 C ATOM 0 H ALA A 76 14.045 -16.893 22.700 1.00 0.00 H new ATOM 0 HA ALA A 76 11.588 -16.887 21.421 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.376 -19.177 22.335 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.013 -18.864 21.709 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.711 -18.841 23.463 1.00 0.00 H new ATOM 1094 N PRO A 77 9.652 -17.076 23.126 1.00 0.00 N ATOM 1095 CA PRO A 77 8.518 -16.787 24.009 1.00 0.00 C ATOM 1096 C PRO A 77 8.533 -17.643 25.271 1.00 0.00 C ATOM 1097 O PRO A 77 9.282 -18.615 25.365 1.00 0.00 O ATOM 1098 CB PRO A 77 7.301 -17.128 23.145 1.00 0.00 C ATOM 1099 CG PRO A 77 7.803 -18.126 22.160 1.00 0.00 C ATOM 1100 CD PRO A 77 9.235 -17.755 21.888 1.00 0.00 C ATOM 0 HA PRO A 77 8.530 -15.757 24.365 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.491 -17.539 23.747 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.909 -16.242 22.646 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.731 -19.138 22.559 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.213 -18.101 21.244 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.847 -18.634 21.686 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.323 -17.100 21.021 1.00 0.00 H new ATOM 1108 N LYS A 78 7.700 -17.275 26.239 1.00 0.00 N ATOM 1109 CA LYS A 78 7.615 -18.010 27.495 1.00 0.00 C ATOM 1110 C LYS A 78 6.709 -19.229 27.353 1.00 0.00 C ATOM 1111 O LYS A 78 6.486 -19.963 28.314 1.00 0.00 O ATOM 1112 CB LYS A 78 7.091 -17.099 28.608 1.00 0.00 C ATOM 1113 CG LYS A 78 5.575 -17.046 28.688 1.00 0.00 C ATOM 1114 CD LYS A 78 4.965 -16.560 27.384 1.00 0.00 C ATOM 1115 CE LYS A 78 3.445 -16.549 27.449 1.00 0.00 C ATOM 1116 NZ LYS A 78 2.849 -15.725 26.362 1.00 0.00 N ATOM 0 H LYS A 78 7.074 -16.472 26.177 1.00 0.00 H new ATOM 0 HA LYS A 78 8.617 -18.353 27.755 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.485 -17.444 29.564 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.474 -16.091 28.451 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.187 -18.037 28.925 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.275 -16.384 29.500 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.328 -15.556 27.163 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.291 -17.204 26.567 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.071 -17.570 27.377 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.126 -16.160 28.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.812 -15.743 26.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.185 -14.744 26.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.132 -16.111 25.439 1.00 0.00 H new ATOM 1130 N GLU A 79 6.190 -19.437 26.146 1.00 0.00 N ATOM 1131 CA GLU A 79 5.309 -20.568 25.879 1.00 0.00 C ATOM 1132 C GLU A 79 6.110 -21.857 25.726 1.00 0.00 C ATOM 1133 O GLU A 79 7.301 -21.828 25.418 1.00 0.00 O ATOM 1134 CB GLU A 79 4.484 -20.313 24.616 1.00 0.00 C ATOM 1135 CG GLU A 79 3.135 -21.012 24.618 1.00 0.00 C ATOM 1136 CD GLU A 79 2.321 -20.714 23.374 1.00 0.00 C ATOM 1137 OE1 GLU A 79 2.842 -20.020 22.476 1.00 0.00 O ATOM 1138 OE2 GLU A 79 1.163 -21.175 23.299 1.00 0.00 O ATOM 0 H GLU A 79 6.364 -18.838 25.339 1.00 0.00 H new ATOM 0 HA GLU A 79 4.635 -20.679 26.728 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.327 -19.240 24.505 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.054 -20.643 23.747 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.288 -22.088 24.698 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.572 -20.704 25.499 1.00 0.00 H new ATOM 1145 N ASP A 80 5.447 -22.988 25.943 1.00 0.00 N ATOM 1146 CA ASP A 80 6.096 -24.289 25.829 1.00 0.00 C ATOM 1147 C ASP A 80 5.563 -25.058 24.624 1.00 0.00 C ATOM 1148 O ASP A 80 4.476 -25.633 24.673 1.00 0.00 O ATOM 1149 CB ASP A 80 5.881 -25.104 27.105 1.00 0.00 C ATOM 1150 CG ASP A 80 6.369 -26.533 26.969 1.00 0.00 C ATOM 1151 OD1 ASP A 80 7.542 -26.725 26.586 1.00 0.00 O ATOM 1152 OD2 ASP A 80 5.578 -27.458 27.246 1.00 0.00 O ATOM 0 H ASP A 80 4.460 -23.030 26.199 1.00 0.00 H new ATOM 0 HA ASP A 80 7.164 -24.123 25.689 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.402 -24.622 27.932 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.820 -25.108 27.356 1.00 0.00 H new ATOM 1157 N ALA A 81 6.335 -25.062 23.542 1.00 0.00 N ATOM 1158 CA ALA A 81 5.942 -25.760 22.325 1.00 0.00 C ATOM 1159 C ALA A 81 7.130 -26.481 21.697 1.00 0.00 C ATOM 1160 O ALA A 81 8.233 -26.476 22.245 1.00 0.00 O ATOM 1161 CB ALA A 81 5.328 -24.785 21.331 1.00 0.00 C ATOM 0 H ALA A 81 7.237 -24.589 23.484 1.00 0.00 H new ATOM 0 HA ALA A 81 5.196 -26.508 22.591 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.039 -25.321 20.427 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.447 -24.320 21.774 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.057 -24.015 21.079 1.00 0.00 H new ATOM 1167 N LEU A 82 6.898 -27.101 20.545 1.00 0.00 N ATOM 1168 CA LEU A 82 7.950 -27.828 19.842 1.00 0.00 C ATOM 1169 C LEU A 82 8.893 -26.865 19.129 1.00 0.00 C ATOM 1170 O LEU A 82 8.754 -26.615 17.931 1.00 0.00 O ATOM 1171 CB LEU A 82 7.338 -28.801 18.834 1.00 0.00 C ATOM 1172 CG LEU A 82 7.026 -30.203 19.359 1.00 0.00 C ATOM 1173 CD1 LEU A 82 5.732 -30.199 20.157 1.00 0.00 C ATOM 1174 CD2 LEU A 82 6.942 -31.197 18.209 1.00 0.00 C ATOM 0 H LEU A 82 5.991 -27.115 20.078 1.00 0.00 H new ATOM 0 HA LEU A 82 8.524 -28.391 20.578 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.415 -28.364 18.452 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.020 -28.895 17.989 1.00 0.00 H new ATOM 0 HG LEU A 82 7.836 -30.510 20.021 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.527 -31.205 20.522 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.828 -29.518 21.003 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.912 -29.870 19.519 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.719 -32.189 18.601 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.152 -30.893 17.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.894 -31.222 17.679 1.00 0.00 H new ATOM 1186 N THR A 83 9.856 -26.328 19.872 1.00 0.00 N ATOM 1187 CA THR A 83 10.824 -25.394 19.310 1.00 0.00 C ATOM 1188 C THR A 83 12.247 -25.771 19.708 1.00 0.00 C ATOM 1189 O THR A 83 12.456 -26.638 20.556 1.00 0.00 O ATOM 1190 CB THR A 83 10.541 -23.951 19.767 1.00 0.00 C ATOM 1191 OG1 THR A 83 11.407 -23.041 19.079 1.00 0.00 O ATOM 1192 CG2 THR A 83 10.738 -23.809 21.269 1.00 0.00 C ATOM 0 H THR A 83 9.986 -26.524 20.864 1.00 0.00 H new ATOM 0 HA THR A 83 10.726 -25.451 18.226 1.00 0.00 H new ATOM 0 HB THR A 83 9.504 -23.715 19.530 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.220 -22.125 19.374 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.532 -22.781 21.567 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.057 -24.481 21.790 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.766 -24.063 21.527 1.00 0.00 H new ATOM 1200 N VAL A 84 13.223 -25.113 19.090 1.00 0.00 N ATOM 1201 CA VAL A 84 14.627 -25.378 19.382 1.00 0.00 C ATOM 1202 C VAL A 84 15.293 -24.167 20.024 1.00 0.00 C ATOM 1203 O VAL A 84 14.857 -23.031 19.834 1.00 0.00 O ATOM 1204 CB VAL A 84 15.402 -25.761 18.107 1.00 0.00 C ATOM 1205 CG1 VAL A 84 14.844 -27.043 17.507 1.00 0.00 C ATOM 1206 CG2 VAL A 84 15.357 -24.626 17.095 1.00 0.00 C ATOM 0 H VAL A 84 13.067 -24.393 18.384 1.00 0.00 H new ATOM 0 HA VAL A 84 14.653 -26.215 20.080 1.00 0.00 H new ATOM 0 HB VAL A 84 16.444 -25.937 18.376 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.404 -27.297 16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.933 -27.853 18.231 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.794 -26.899 17.252 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.910 -24.914 16.201 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.321 -24.416 16.830 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.808 -23.734 17.529 1.00 0.00 H new ATOM 1216 N VAL A 85 16.354 -24.416 20.785 1.00 0.00 N ATOM 1217 CA VAL A 85 17.082 -23.345 21.455 1.00 0.00 C ATOM 1218 C VAL A 85 18.135 -22.738 20.535 1.00 0.00 C ATOM 1219 O VAL A 85 18.554 -21.597 20.722 1.00 0.00 O ATOM 1220 CB VAL A 85 17.767 -23.850 22.739 1.00 0.00 C ATOM 1221 CG1 VAL A 85 18.450 -22.703 23.467 1.00 0.00 C ATOM 1222 CG2 VAL A 85 16.759 -24.542 23.644 1.00 0.00 C ATOM 0 H VAL A 85 16.728 -25.350 20.953 1.00 0.00 H new ATOM 0 HA VAL A 85 16.350 -22.581 21.719 1.00 0.00 H new ATOM 0 HB VAL A 85 18.530 -24.577 22.461 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.928 -23.079 24.371 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.203 -22.257 22.817 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.709 -21.950 23.735 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.260 -24.892 24.546 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.972 -23.839 23.916 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.322 -25.391 23.119 1.00 0.00 H new ATOM 1232 N GLY A 86 18.560 -23.510 19.539 1.00 0.00 N ATOM 1233 CA GLY A 86 19.560 -23.031 18.604 1.00 0.00 C ATOM 1234 C GLY A 86 20.889 -22.743 19.274 1.00 0.00 C ATOM 1235 O GLY A 86 21.338 -23.505 20.131 1.00 0.00 O ATOM 0 H GLY A 86 18.229 -24.459 19.364 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.705 -23.774 17.820 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.196 -22.124 18.121 1.00 0.00 H new ATOM 1239 N ASP A 87 21.522 -21.643 18.881 1.00 0.00 N ATOM 1240 CA ASP A 87 22.808 -21.256 19.449 1.00 0.00 C ATOM 1241 C ASP A 87 22.658 -20.039 20.356 1.00 0.00 C ATOM 1242 O ASP A 87 22.104 -19.016 19.951 1.00 0.00 O ATOM 1243 CB ASP A 87 23.812 -20.958 18.335 1.00 0.00 C ATOM 1244 CG ASP A 87 25.239 -20.889 18.845 1.00 0.00 C ATOM 1245 OD1 ASP A 87 25.752 -21.927 19.313 1.00 0.00 O ATOM 1246 OD2 ASP A 87 25.842 -19.799 18.774 1.00 0.00 O ATOM 0 H ASP A 87 21.165 -21.003 18.171 1.00 0.00 H new ATOM 0 HA ASP A 87 23.178 -22.088 20.048 1.00 0.00 H new ATOM 0 HB2 ASP A 87 23.740 -21.730 17.569 1.00 0.00 H new ATOM 0 HB3 ASP A 87 23.553 -20.012 17.860 1.00 0.00 H new ATOM 1251 N TRP A 88 23.152 -20.157 21.583 1.00 0.00 N ATOM 1252 CA TRP A 88 23.072 -19.065 22.547 1.00 0.00 C ATOM 1253 C TRP A 88 24.409 -18.860 23.250 1.00 0.00 C ATOM 1254 O TRP A 88 25.290 -19.720 23.194 1.00 0.00 O ATOM 1255 CB TRP A 88 21.978 -19.348 23.578 1.00 0.00 C ATOM 1256 CG TRP A 88 21.373 -18.106 24.158 1.00 0.00 C ATOM 1257 CD1 TRP A 88 21.638 -17.559 25.382 1.00 0.00 C ATOM 1258 CD2 TRP A 88 20.400 -17.257 23.540 1.00 0.00 C ATOM 1259 NE1 TRP A 88 20.888 -16.422 25.561 1.00 0.00 N ATOM 1260 CE2 TRP A 88 20.121 -16.214 24.445 1.00 0.00 C ATOM 1261 CE3 TRP A 88 19.739 -17.275 22.308 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 19.209 -15.202 24.156 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 18.834 -16.270 22.024 1.00 0.00 C ATOM 1264 CH2 TRP A 88 18.577 -15.245 22.943 1.00 0.00 C ATOM 0 H TRP A 88 23.612 -20.997 21.934 1.00 0.00 H new ATOM 0 HA TRP A 88 22.824 -18.152 22.005 1.00 0.00 H new ATOM 0 HB2 TRP A 88 21.193 -19.942 23.110 1.00 0.00 H new ATOM 0 HB3 TRP A 88 22.396 -19.951 24.384 1.00 0.00 H new ATOM 0 HD1 TRP A 88 22.335 -17.961 26.103 1.00 0.00 H new ATOM 0 HE1 TRP A 88 20.900 -15.829 26.391 1.00 0.00 H new ATOM 0 HE3 TRP A 88 19.932 -18.060 21.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 19.008 -14.412 24.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 18.316 -16.275 21.077 1.00 0.00 H new ATOM 0 HH2 TRP A 88 17.866 -14.473 22.689 1.00 0.00 H new ATOM 1275 N LEU A 89 24.556 -17.718 23.911 1.00 0.00 N ATOM 1276 CA LEU A 89 25.788 -17.400 24.626 1.00 0.00 C ATOM 1277 C LEU A 89 25.504 -16.503 25.827 1.00 0.00 C ATOM 1278 O LEU A 89 24.349 -16.236 26.157 1.00 0.00 O ATOM 1279 CB LEU A 89 26.783 -16.715 23.688 1.00 0.00 C ATOM 1280 CG LEU A 89 27.181 -17.504 22.440 1.00 0.00 C ATOM 1281 CD1 LEU A 89 27.942 -16.617 21.467 1.00 0.00 C ATOM 1282 CD2 LEU A 89 28.015 -18.719 22.821 1.00 0.00 C ATOM 0 H LEU A 89 23.838 -16.996 23.967 1.00 0.00 H new ATOM 0 HA LEU A 89 26.221 -18.333 24.986 1.00 0.00 H new ATOM 0 HB2 LEU A 89 26.357 -15.763 23.371 1.00 0.00 H new ATOM 0 HB3 LEU A 89 27.687 -16.487 24.253 1.00 0.00 H new ATOM 0 HG LEU A 89 26.272 -17.851 21.948 1.00 0.00 H new ATOM 0 HD11 LEU A 89 28.217 -17.196 20.585 1.00 0.00 H new ATOM 0 HD12 LEU A 89 27.312 -15.779 21.169 1.00 0.00 H new ATOM 0 HD13 LEU A 89 28.844 -16.239 21.948 1.00 0.00 H new ATOM 0 HD21 LEU A 89 28.289 -19.269 21.921 1.00 0.00 H new ATOM 0 HD22 LEU A 89 28.918 -18.393 23.337 1.00 0.00 H new ATOM 0 HD23 LEU A 89 27.435 -19.366 23.479 1.00 0.00 H new ATOM 1294 N GLY A 90 26.568 -16.040 26.477 1.00 0.00 N ATOM 1295 CA GLY A 90 26.412 -15.177 27.633 1.00 0.00 C ATOM 1296 C GLY A 90 27.264 -13.926 27.542 1.00 0.00 C ATOM 1297 O GLY A 90 28.493 -14.004 27.520 1.00 0.00 O ATOM 0 H GLY A 90 27.534 -16.247 26.224 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.364 -14.893 27.732 1.00 0.00 H new ATOM 0 HA3 GLY A 90 26.679 -15.730 28.534 1.00 0.00 H new ATOM 1301 N ASP A 91 26.612 -12.770 27.488 1.00 0.00 N ATOM 1302 CA ASP A 91 27.317 -11.498 27.398 1.00 0.00 C ATOM 1303 C ASP A 91 26.996 -10.612 28.597 1.00 0.00 C ATOM 1304 O ASP A 91 26.661 -9.438 28.443 1.00 0.00 O ATOM 1305 CB ASP A 91 26.947 -10.776 26.101 1.00 0.00 C ATOM 1306 CG ASP A 91 25.482 -10.936 25.747 1.00 0.00 C ATOM 1307 OD1 ASP A 91 24.627 -10.533 26.564 1.00 0.00 O ATOM 1308 OD2 ASP A 91 25.190 -11.463 24.654 1.00 0.00 O ATOM 0 H ASP A 91 25.595 -12.688 27.505 1.00 0.00 H new ATOM 0 HA ASP A 91 28.387 -11.704 27.398 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.180 -9.716 26.200 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.559 -11.163 25.286 1.00 0.00 H new ATOM 1313 N ALA A 92 27.099 -11.183 29.793 1.00 0.00 N ATOM 1314 CA ALA A 92 26.820 -10.445 31.019 1.00 0.00 C ATOM 1315 C ALA A 92 28.094 -10.221 31.826 1.00 0.00 C ATOM 1316 O ALA A 92 28.989 -11.066 31.839 1.00 0.00 O ATOM 1317 CB ALA A 92 25.785 -11.183 31.855 1.00 0.00 C ATOM 0 H ALA A 92 27.374 -12.154 29.939 1.00 0.00 H new ATOM 0 HA ALA A 92 26.419 -9.469 30.744 1.00 0.00 H new ATOM 0 HB1 ALA A 92 25.586 -10.621 32.767 1.00 0.00 H new ATOM 0 HB2 ALA A 92 24.862 -11.286 31.284 1.00 0.00 H new ATOM 0 HB3 ALA A 92 26.164 -12.172 32.113 1.00 0.00 H new ATOM 1323 N ARG A 93 28.169 -9.077 32.499 1.00 0.00 N ATOM 1324 CA ARG A 93 29.335 -8.741 33.307 1.00 0.00 C ATOM 1325 C ARG A 93 28.922 -8.363 34.726 1.00 0.00 C ATOM 1326 O ARG A 93 28.024 -7.545 34.923 1.00 0.00 O ATOM 1327 CB ARG A 93 30.112 -7.590 32.666 1.00 0.00 C ATOM 1328 CG ARG A 93 30.603 -7.895 31.260 1.00 0.00 C ATOM 1329 CD ARG A 93 31.957 -8.587 31.280 1.00 0.00 C ATOM 1330 NE ARG A 93 31.844 -9.998 31.639 1.00 0.00 N ATOM 1331 CZ ARG A 93 32.890 -10.775 31.900 1.00 0.00 C ATOM 1332 NH1 ARG A 93 34.118 -10.281 31.842 1.00 0.00 N ATOM 1333 NH2 ARG A 93 32.707 -12.050 32.219 1.00 0.00 N ATOM 0 H ARG A 93 27.436 -8.368 32.501 1.00 0.00 H new ATOM 0 HA ARG A 93 29.977 -9.620 33.356 1.00 0.00 H new ATOM 0 HB2 ARG A 93 29.475 -6.706 32.636 1.00 0.00 H new ATOM 0 HB3 ARG A 93 30.968 -7.345 33.295 1.00 0.00 H new ATOM 0 HG2 ARG A 93 29.877 -8.528 30.749 1.00 0.00 H new ATOM 0 HG3 ARG A 93 30.675 -6.969 30.690 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.424 -8.499 30.299 1.00 0.00 H new ATOM 0 HD3 ARG A 93 32.611 -8.083 31.991 1.00 0.00 H new ATOM 0 HE ARG A 93 30.912 -10.409 31.692 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.263 -9.302 31.596 1.00 0.00 H new ATOM 0 HH12 ARG A 93 34.919 -10.880 32.043 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.763 -12.434 32.264 1.00 0.00 H new ATOM 0 HH22 ARG A 93 33.510 -12.646 32.419 1.00 0.00 H new ATOM 1347 N GLU A 94 29.583 -8.964 35.710 1.00 0.00 N ATOM 1348 CA GLU A 94 29.282 -8.690 37.111 1.00 0.00 C ATOM 1349 C GLU A 94 29.533 -7.222 37.444 1.00 0.00 C ATOM 1350 O GLU A 94 29.861 -6.423 36.568 1.00 0.00 O ATOM 1351 CB GLU A 94 30.128 -9.583 38.021 1.00 0.00 C ATOM 1352 CG GLU A 94 31.623 -9.341 37.892 1.00 0.00 C ATOM 1353 CD GLU A 94 32.266 -10.212 36.831 1.00 0.00 C ATOM 1354 OE1 GLU A 94 32.377 -11.436 37.055 1.00 0.00 O ATOM 1355 OE2 GLU A 94 32.657 -9.670 35.776 1.00 0.00 O ATOM 0 H GLU A 94 30.330 -9.643 35.564 1.00 0.00 H new ATOM 0 HA GLU A 94 28.227 -8.908 37.279 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.830 -9.419 39.056 1.00 0.00 H new ATOM 0 HB3 GLU A 94 29.916 -10.627 37.790 1.00 0.00 H new ATOM 0 HG2 GLU A 94 31.798 -8.293 37.651 1.00 0.00 H new ATOM 0 HG3 GLU A 94 32.102 -9.531 38.852 1.00 0.00 H new ATOM 1362 N ASN A 95 29.375 -6.875 38.717 1.00 0.00 N ATOM 1363 CA ASN A 95 29.583 -5.503 39.167 1.00 0.00 C ATOM 1364 C ASN A 95 28.662 -4.541 38.423 1.00 0.00 C ATOM 1365 O ASN A 95 29.042 -3.409 38.122 1.00 0.00 O ATOM 1366 CB ASN A 95 31.042 -5.093 38.960 1.00 0.00 C ATOM 1367 CG ASN A 95 31.489 -4.031 39.947 1.00 0.00 C ATOM 1368 OD1 ASN A 95 31.058 -4.018 41.099 1.00 0.00 O ATOM 1369 ND2 ASN A 95 32.358 -3.133 39.496 1.00 0.00 N ATOM 0 H ASN A 95 29.104 -7.524 39.455 1.00 0.00 H new ATOM 0 HA ASN A 95 29.346 -5.455 40.230 1.00 0.00 H new ATOM 0 HB2 ASN A 95 31.681 -5.970 39.060 1.00 0.00 H new ATOM 0 HB3 ASN A 95 31.171 -4.719 37.944 1.00 0.00 H new ATOM 0 HD21 ASN A 95 32.695 -2.394 40.113 1.00 0.00 H new ATOM 0 HD22 ASN A 95 32.689 -3.182 38.532 1.00 0.00 H new ATOM 1376 N ASP A 96 27.450 -4.999 38.129 1.00 0.00 N ATOM 1377 CA ASP A 96 26.474 -4.179 37.421 1.00 0.00 C ATOM 1378 C ASP A 96 25.418 -3.641 38.382 1.00 0.00 C ATOM 1379 O ASP A 96 24.225 -3.641 38.075 1.00 0.00 O ATOM 1380 CB ASP A 96 25.804 -4.990 36.311 1.00 0.00 C ATOM 1381 CG ASP A 96 24.905 -6.084 36.854 1.00 0.00 C ATOM 1382 OD1 ASP A 96 25.153 -6.547 37.987 1.00 0.00 O ATOM 1383 OD2 ASP A 96 23.954 -6.477 36.146 1.00 0.00 O ATOM 0 H ASP A 96 27.120 -5.934 38.370 1.00 0.00 H new ATOM 0 HA ASP A 96 27.000 -3.334 36.976 1.00 0.00 H new ATOM 0 HB2 ASP A 96 25.218 -4.322 35.680 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.571 -5.435 35.677 1.00 0.00 H new ATOM 1388 N LEU A 97 25.864 -3.184 39.547 1.00 0.00 N ATOM 1389 CA LEU A 97 24.958 -2.643 40.555 1.00 0.00 C ATOM 1390 C LEU A 97 24.905 -1.121 40.479 1.00 0.00 C ATOM 1391 O LEU A 97 25.469 -0.428 41.325 1.00 0.00 O ATOM 1392 CB LEU A 97 25.399 -3.081 41.953 1.00 0.00 C ATOM 1393 CG LEU A 97 24.890 -4.444 42.421 1.00 0.00 C ATOM 1394 CD1 LEU A 97 23.381 -4.414 42.613 1.00 0.00 C ATOM 1395 CD2 LEU A 97 25.281 -5.529 41.428 1.00 0.00 C ATOM 0 H LEU A 97 26.848 -3.177 39.817 1.00 0.00 H new ATOM 0 HA LEU A 97 23.959 -3.033 40.357 1.00 0.00 H new ATOM 0 HB2 LEU A 97 26.489 -3.093 41.981 1.00 0.00 H new ATOM 0 HB3 LEU A 97 25.070 -2.327 42.669 1.00 0.00 H new ATOM 0 HG LEU A 97 25.353 -4.673 43.381 1.00 0.00 H new ATOM 0 HD11 LEU A 97 23.037 -5.393 42.946 1.00 0.00 H new ATOM 0 HD12 LEU A 97 23.124 -3.665 43.362 1.00 0.00 H new ATOM 0 HD13 LEU A 97 22.899 -4.162 41.668 1.00 0.00 H new ATOM 0 HD21 LEU A 97 24.910 -6.493 41.777 1.00 0.00 H new ATOM 0 HD22 LEU A 97 24.846 -5.305 40.454 1.00 0.00 H new ATOM 0 HD23 LEU A 97 26.367 -5.568 41.340 1.00 0.00 H new ATOM 1407 N GLU A 98 24.222 -0.607 39.460 1.00 0.00 N ATOM 1408 CA GLU A 98 24.095 0.833 39.275 1.00 0.00 C ATOM 1409 C GLU A 98 22.724 1.191 38.710 1.00 0.00 C ATOM 1410 O GLU A 98 22.159 0.450 37.904 1.00 0.00 O ATOM 1411 CB GLU A 98 25.193 1.349 38.343 1.00 0.00 C ATOM 1412 CG GLU A 98 25.592 2.791 38.610 1.00 0.00 C ATOM 1413 CD GLU A 98 26.574 2.921 39.758 1.00 0.00 C ATOM 1414 OE1 GLU A 98 27.744 2.520 39.586 1.00 0.00 O ATOM 1415 OE2 GLU A 98 26.172 3.425 40.828 1.00 0.00 O ATOM 0 H GLU A 98 23.749 -1.167 38.751 1.00 0.00 H new ATOM 0 HA GLU A 98 24.202 1.309 40.250 1.00 0.00 H new ATOM 0 HB2 GLU A 98 26.072 0.713 38.445 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.853 1.260 37.311 1.00 0.00 H new ATOM 0 HG2 GLU A 98 26.035 3.215 37.708 1.00 0.00 H new ATOM 0 HG3 GLU A 98 24.699 3.376 38.832 1.00 0.00 H new ATOM 1422 N HIS A 99 22.192 2.331 39.140 1.00 0.00 N ATOM 1423 CA HIS A 99 20.886 2.787 38.677 1.00 0.00 C ATOM 1424 C HIS A 99 19.813 1.742 38.962 1.00 0.00 C ATOM 1425 O HIS A 99 19.076 1.332 38.064 1.00 0.00 O ATOM 1426 CB HIS A 99 20.931 3.095 37.180 1.00 0.00 C ATOM 1427 CG HIS A 99 22.083 3.964 36.781 1.00 0.00 C ATOM 1428 ND1 HIS A 99 22.688 3.890 35.544 1.00 0.00 N ATOM 1429 CD2 HIS A 99 22.741 4.931 37.462 1.00 0.00 C ATOM 1430 CE1 HIS A 99 23.669 4.773 35.482 1.00 0.00 C ATOM 1431 NE2 HIS A 99 23.721 5.418 36.634 1.00 0.00 N ATOM 0 H HIS A 99 22.645 2.955 39.808 1.00 0.00 H new ATOM 0 HA HIS A 99 20.633 3.698 39.220 1.00 0.00 H new ATOM 0 HB2 HIS A 99 20.985 2.158 36.626 1.00 0.00 H new ATOM 0 HB3 HIS A 99 20.001 3.583 36.890 1.00 0.00 H new ATOM 0 HD2 HIS A 99 22.533 5.259 38.470 1.00 0.00 H new ATOM 0 HE1 HIS A 99 24.318 4.939 34.635 1.00 0.00 H new ATOM 0 HE2 HIS A 99 24.382 6.158 36.870 1.00 0.00 H new ATOM 1439 N HIS A 100 19.730 1.312 40.218 1.00 0.00 N ATOM 1440 CA HIS A 100 18.746 0.314 40.621 1.00 0.00 C ATOM 1441 C HIS A 100 17.746 0.905 41.610 1.00 0.00 C ATOM 1442 O HIS A 100 17.346 0.248 42.571 1.00 0.00 O ATOM 1443 CB HIS A 100 19.443 -0.896 41.244 1.00 0.00 C ATOM 1444 CG HIS A 100 18.633 -2.154 41.176 1.00 0.00 C ATOM 1445 ND1 HIS A 100 18.430 -2.979 42.263 1.00 0.00 N ATOM 1446 CD2 HIS A 100 17.972 -2.727 40.143 1.00 0.00 C ATOM 1447 CE1 HIS A 100 17.681 -4.005 41.900 1.00 0.00 C ATOM 1448 NE2 HIS A 100 17.389 -3.876 40.619 1.00 0.00 N ATOM 0 H HIS A 100 20.332 1.639 40.973 1.00 0.00 H new ATOM 0 HA HIS A 100 18.204 -0.006 39.731 1.00 0.00 H new ATOM 0 HB2 HIS A 100 20.394 -1.058 40.737 1.00 0.00 H new ATOM 0 HB3 HIS A 100 19.671 -0.676 42.287 1.00 0.00 H new ATOM 0 HD2 HIS A 100 17.914 -2.351 39.132 1.00 0.00 H new ATOM 0 HE1 HIS A 100 17.362 -4.812 42.542 1.00 0.00 H new ATOM 0 HE2 HIS A 100 16.823 -4.524 40.072 1.00 0.00 H new ATOM 1456 N HIS A 101 17.346 2.149 41.367 1.00 0.00 N ATOM 1457 CA HIS A 101 16.393 2.829 42.237 1.00 0.00 C ATOM 1458 C HIS A 101 15.019 2.170 42.157 1.00 0.00 C ATOM 1459 O HIS A 101 14.244 2.208 43.113 1.00 0.00 O ATOM 1460 CB HIS A 101 16.286 4.306 41.856 1.00 0.00 C ATOM 1461 CG HIS A 101 17.443 5.131 42.328 1.00 0.00 C ATOM 1462 ND1 HIS A 101 18.701 5.054 41.768 1.00 0.00 N ATOM 1463 CD2 HIS A 101 17.526 6.057 43.312 1.00 0.00 C ATOM 1464 CE1 HIS A 101 19.509 5.895 42.389 1.00 0.00 C ATOM 1465 NE2 HIS A 101 18.821 6.516 43.329 1.00 0.00 N ATOM 0 H HIS A 101 17.667 2.706 40.575 1.00 0.00 H new ATOM 0 HA HIS A 101 16.755 2.752 43.262 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.210 4.389 40.772 1.00 0.00 H new ATOM 0 HB3 HIS A 101 15.365 4.714 42.272 1.00 0.00 H new ATOM 0 HD2 HIS A 101 16.724 6.375 43.962 1.00 0.00 H new ATOM 0 HE1 HIS A 101 20.554 6.048 42.166 1.00 0.00 H new ATOM 0 HE2 HIS A 101 19.191 7.222 43.965 1.00 0.00 H new ATOM 1473 N HIS A 102 14.723 1.567 41.009 1.00 0.00 N ATOM 1474 CA HIS A 102 13.442 0.900 40.805 1.00 0.00 C ATOM 1475 C HIS A 102 13.644 -0.503 40.240 1.00 0.00 C ATOM 1476 O HIS A 102 13.205 -1.490 40.830 1.00 0.00 O ATOM 1477 CB HIS A 102 12.561 1.720 39.861 1.00 0.00 C ATOM 1478 CG HIS A 102 11.111 1.348 39.921 1.00 0.00 C ATOM 1479 ND1 HIS A 102 10.662 0.153 40.443 1.00 0.00 N ATOM 1480 CD2 HIS A 102 10.007 2.022 39.523 1.00 0.00 C ATOM 1481 CE1 HIS A 102 9.344 0.108 40.361 1.00 0.00 C ATOM 1482 NE2 HIS A 102 8.922 1.230 39.807 1.00 0.00 N ATOM 0 H HIS A 102 15.352 1.527 40.207 1.00 0.00 H new ATOM 0 HA HIS A 102 12.946 0.816 41.772 1.00 0.00 H new ATOM 0 HB2 HIS A 102 12.667 2.777 40.105 1.00 0.00 H new ATOM 0 HB3 HIS A 102 12.919 1.591 38.840 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.984 3.001 39.067 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.718 -0.708 40.691 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.948 1.469 39.620 1.00 0.00 H new ATOM 1490 N HIS A 103 14.312 -0.584 39.093 1.00 0.00 N ATOM 1491 CA HIS A 103 14.572 -1.866 38.449 1.00 0.00 C ATOM 1492 C HIS A 103 15.794 -1.779 37.539 1.00 0.00 C ATOM 1493 O HIS A 103 16.363 -0.704 37.348 1.00 0.00 O ATOM 1494 CB HIS A 103 13.352 -2.312 37.642 1.00 0.00 C ATOM 1495 CG HIS A 103 12.344 -3.070 38.449 1.00 0.00 C ATOM 1496 ND1 HIS A 103 10.990 -2.816 38.394 1.00 0.00 N ATOM 1497 CD2 HIS A 103 12.500 -4.083 39.334 1.00 0.00 C ATOM 1498 CE1 HIS A 103 10.356 -3.638 39.211 1.00 0.00 C ATOM 1499 NE2 HIS A 103 11.250 -4.418 39.793 1.00 0.00 N ATOM 0 H HIS A 103 14.683 0.223 38.591 1.00 0.00 H new ATOM 0 HA HIS A 103 14.772 -2.602 39.228 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.873 -1.434 37.209 1.00 0.00 H new ATOM 0 HB3 HIS A 103 13.684 -2.936 36.812 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.433 -4.542 39.625 1.00 0.00 H new ATOM 0 HE1 HIS A 103 9.289 -3.668 39.375 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.045 -5.150 40.473 1.00 0.00 H new ATOM 1507 N HIS A 104 16.193 -2.918 36.982 1.00 0.00 N ATOM 1508 CA HIS A 104 17.348 -2.970 36.093 1.00 0.00 C ATOM 1509 C HIS A 104 16.910 -2.958 34.631 1.00 0.00 C ATOM 1510 O HIS A 104 15.716 -3.003 34.331 1.00 0.00 O ATOM 1511 CB HIS A 104 18.181 -4.220 36.377 1.00 0.00 C ATOM 1512 CG HIS A 104 19.420 -4.317 35.541 1.00 0.00 C ATOM 1513 ND1 HIS A 104 19.652 -5.348 34.655 1.00 0.00 N ATOM 1514 CD2 HIS A 104 20.498 -3.503 35.459 1.00 0.00 C ATOM 1515 CE1 HIS A 104 20.820 -5.165 34.065 1.00 0.00 C ATOM 1516 NE2 HIS A 104 21.354 -4.052 34.535 1.00 0.00 N ATOM 0 H HIS A 104 15.734 -3.817 37.130 1.00 0.00 H new ATOM 0 HA HIS A 104 17.958 -2.086 36.279 1.00 0.00 H new ATOM 0 HB2 HIS A 104 18.462 -4.228 37.430 1.00 0.00 H new ATOM 0 HB3 HIS A 104 17.566 -5.103 36.204 1.00 0.00 H new ATOM 0 HD2 HIS A 104 20.656 -2.591 36.016 1.00 0.00 H new ATOM 0 HE1 HIS A 104 21.263 -5.815 33.325 1.00 0.00 H new ATOM 0 HE2 HIS A 104 22.255 -3.663 34.257 1.00 0.00 H new TER 1524 HIS A 104