USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 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 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= -0.425 X(o=-0.43,f=0) 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 ----------------------------------------------------------------- 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 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 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 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 1.661 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