USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 76 ASN : amide:sc= 0.54 K(o=1.1,f=-3.3!) USER MOD Set 2.2: A 77 SER OG : rot -72:sc= 0.555 USER MOD Set 3.1: A 39 ASN : amide:sc= 1.96 K(o=3.1,f=-5.3!) USER MOD Set 3.2: A 53 THR OG1 : rot -30:sc= 1.17 USER MOD Set 4.1: A 26 THR OG1 : rot -54:sc= 1.16 USER MOD Set 4.2: A 64 ASN : amide:sc= 1.09 K(o=2.2,f=-1.2) USER MOD Set 5.1: A 1 MET CE :methyl 179:sc= -0.531 (180deg=-0.426) USER MOD Set 5.2: A 1 MET N :NH3+ -177:sc= -0.697 (180deg=-1.74) USER MOD Set 5.3: A 32 ASN : amide:sc= 0.526 K(o=-0.7,f=-12!) USER MOD Single : A 9 SER OG : rot 180:sc=0.000207 USER MOD Single : A 11 THR OG1 : rot 90:sc= -2.37! USER MOD Single : A 14 THR OG1 : rot 40:sc= 0.00689 USER MOD Single : A 18 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.069) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 21 ASN : amide:sc= 2.01 K(o=2,f=-6.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -141:sc= -0.0283 (180deg=-2.04) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=-3.5!) USER MOD Single : A 30 GLN : amide:sc= 1.25 K(o=1.3,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 0.712 (180deg=0.0595!) USER MOD Single : A 35 SER OG : rot -91:sc= -2.89! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 28:sc= 0.786 USER MOD Single : A 41 SER OG : rot 180:sc= -0.546 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.67) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 29:sc= 1.2 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00544 USER MOD Single : A 61 ASN : amide:sc= 0.178 K(o=0.18,f=-2.8) USER MOD Single : A 62 SER OG : rot -84:sc= 0.13 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 68 HIS : no HD1:sc= 0.934 K(o=0.93,f=-4.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= 1.15 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.78) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 97 ASN : amide:sc= 0.637 K(o=0.64,f=-2.5!) USER MOD Single : A 98 ASN : amide:sc= 0.991 K(o=0.99,f=-0.0089) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0059) USER MOD Single : A 110 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.26) USER MOD Single : A 111 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2.4!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc=-0.000279 X(o=-0.00028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.262 16.313 -7.594 1.00 0.00 N ATOM 2 CA MET A 1 -13.583 15.760 -7.222 1.00 0.00 C ATOM 3 C MET A 1 -13.428 14.501 -6.390 1.00 0.00 C ATOM 4 O MET A 1 -13.749 14.486 -5.204 1.00 0.00 O ATOM 5 CB MET A 1 -14.422 15.463 -8.465 1.00 0.00 C ATOM 6 CG MET A 1 -14.895 16.709 -9.193 1.00 0.00 C ATOM 7 SD MET A 1 -16.048 16.341 -10.531 1.00 0.00 S ATOM 8 CE MET A 1 -15.043 15.296 -11.581 1.00 0.00 C ATOM 0 H1 MET A 1 -12.393 17.201 -8.119 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.708 16.498 -6.733 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.755 15.629 -8.191 1.00 0.00 H new ATOM 0 HA MET A 1 -14.099 16.512 -6.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.835 14.852 -9.151 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.290 14.871 -8.174 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.374 17.381 -8.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.032 17.237 -9.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.629 14.975 -12.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.171 15.854 -11.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.716 14.422 -11.018 1.00 0.00 H new ATOM 20 N ILE A 2 -12.925 13.445 -7.006 1.00 0.00 N ATOM 21 CA ILE A 2 -12.767 12.179 -6.313 1.00 0.00 C ATOM 22 C ILE A 2 -11.490 11.471 -6.775 1.00 0.00 C ATOM 23 O ILE A 2 -11.140 11.508 -7.958 1.00 0.00 O ATOM 24 CB ILE A 2 -14.011 11.273 -6.521 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.142 10.263 -5.379 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.947 10.546 -7.862 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.465 9.529 -5.373 1.00 0.00 C ATOM 0 H ILE A 2 -12.621 13.439 -7.979 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.678 12.382 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.891 11.916 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.333 9.537 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.019 10.783 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.831 9.920 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.910 11.276 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.054 9.922 -7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.489 8.829 -4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.279 10.247 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.581 8.981 -6.308 1.00 0.00 H new ATOM 39 N PRO A 3 -10.736 10.896 -5.832 1.00 0.00 N ATOM 40 CA PRO A 3 -9.550 10.113 -6.133 1.00 0.00 C ATOM 41 C PRO A 3 -9.822 8.607 -6.199 1.00 0.00 C ATOM 42 O PRO A 3 -10.905 8.135 -5.844 1.00 0.00 O ATOM 43 CB PRO A 3 -8.654 10.436 -4.942 1.00 0.00 C ATOM 44 CG PRO A 3 -9.596 10.631 -3.795 1.00 0.00 C ATOM 45 CD PRO A 3 -10.941 11.007 -4.378 1.00 0.00 C ATOM 0 HA PRO A 3 -9.130 10.353 -7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.952 9.626 -4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.062 11.333 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.675 9.719 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.233 11.414 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.728 10.337 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.233 12.017 -4.091 1.00 0.00 H new ATOM 53 N ASP A 4 -8.827 7.871 -6.672 1.00 0.00 N ATOM 54 CA ASP A 4 -8.843 6.407 -6.647 1.00 0.00 C ATOM 55 C ASP A 4 -7.479 5.902 -6.200 1.00 0.00 C ATOM 56 O ASP A 4 -6.521 5.928 -6.973 1.00 0.00 O ATOM 57 CB ASP A 4 -9.170 5.807 -8.024 1.00 0.00 C ATOM 58 CG ASP A 4 -10.649 5.823 -8.370 1.00 0.00 C ATOM 59 OD1 ASP A 4 -11.385 4.915 -7.925 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.072 6.707 -9.140 1.00 0.00 O ATOM 0 H ASP A 4 -7.983 8.268 -7.085 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.623 6.095 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.623 6.359 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.811 4.778 -8.055 1.00 0.00 H new ATOM 65 N LEU A 5 -7.387 5.452 -4.963 1.00 0.00 N ATOM 66 CA LEU A 5 -6.121 5.010 -4.403 1.00 0.00 C ATOM 67 C LEU A 5 -5.924 3.528 -4.673 1.00 0.00 C ATOM 68 O LEU A 5 -6.342 2.675 -3.893 1.00 0.00 O ATOM 69 CB LEU A 5 -6.068 5.287 -2.902 1.00 0.00 C ATOM 70 CG LEU A 5 -6.242 6.754 -2.510 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.267 6.906 -0.999 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.128 7.592 -3.110 1.00 0.00 C ATOM 0 H LEU A 5 -8.178 5.382 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.316 5.568 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.845 4.701 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.112 4.934 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.195 7.107 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.392 7.958 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.097 6.331 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.330 6.538 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.263 8.635 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.166 7.236 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.154 7.508 -4.196 1.00 0.00 H new ATOM 84 N VAL A 6 -5.292 3.229 -5.791 1.00 0.00 N ATOM 85 CA VAL A 6 -5.148 1.857 -6.231 1.00 0.00 C ATOM 86 C VAL A 6 -3.734 1.347 -5.984 1.00 0.00 C ATOM 87 O VAL A 6 -2.778 1.826 -6.597 1.00 0.00 O ATOM 88 CB VAL A 6 -5.480 1.710 -7.733 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.489 0.246 -8.145 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.814 2.365 -8.057 1.00 0.00 C ATOM 0 H VAL A 6 -4.870 3.920 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.853 1.263 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.702 2.219 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.725 0.168 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.508 -0.190 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.241 -0.290 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.028 2.249 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.603 1.890 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.768 3.426 -7.809 1.00 0.00 H new ATOM 100 N PRO A 7 -3.578 0.397 -5.052 1.00 0.00 N ATOM 101 CA PRO A 7 -2.329 -0.331 -4.887 1.00 0.00 C ATOM 102 C PRO A 7 -2.014 -1.115 -6.152 1.00 0.00 C ATOM 103 O PRO A 7 -2.784 -1.979 -6.577 1.00 0.00 O ATOM 104 CB PRO A 7 -2.591 -1.263 -3.698 1.00 0.00 C ATOM 105 CG PRO A 7 -4.073 -1.333 -3.577 1.00 0.00 C ATOM 106 CD PRO A 7 -4.595 -0.022 -4.084 1.00 0.00 C ATOM 0 HA PRO A 7 -1.472 0.319 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.163 -2.251 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.139 -0.874 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.473 -2.163 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.372 -1.497 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.573 -0.133 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.707 0.704 -3.279 1.00 0.00 H new ATOM 114 N VAL A 8 -0.891 -0.791 -6.753 1.00 0.00 N ATOM 115 CA VAL A 8 -0.569 -1.264 -8.088 1.00 0.00 C ATOM 116 C VAL A 8 0.201 -2.573 -8.027 1.00 0.00 C ATOM 117 O VAL A 8 -0.127 -3.530 -8.727 1.00 0.00 O ATOM 118 CB VAL A 8 0.262 -0.217 -8.864 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.282 -0.531 -10.350 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.278 1.182 -8.626 1.00 0.00 C ATOM 0 H VAL A 8 -0.176 -0.195 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.511 -1.426 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 8 1.286 -0.260 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.873 0.221 -10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.724 -1.515 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.737 -0.525 -10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.322 1.903 -9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.313 1.235 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.231 1.414 -7.562 1.00 0.00 H new ATOM 130 N SER A 9 1.219 -2.616 -7.180 1.00 0.00 N ATOM 131 CA SER A 9 2.046 -3.800 -7.060 1.00 0.00 C ATOM 132 C SER A 9 2.808 -3.787 -5.740 1.00 0.00 C ATOM 133 O SER A 9 2.767 -2.803 -4.995 1.00 0.00 O ATOM 134 CB SER A 9 3.021 -3.882 -8.239 1.00 0.00 C ATOM 135 OG SER A 9 3.480 -5.209 -8.431 1.00 0.00 O ATOM 0 H SER A 9 1.489 -1.845 -6.569 1.00 0.00 H new ATOM 0 HA SER A 9 1.402 -4.679 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.530 -3.529 -9.146 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.870 -3.223 -8.059 1.00 0.00 H new ATOM 0 HG SER A 9 4.099 -5.234 -9.190 1.00 0.00 H new ATOM 141 N LEU A 10 3.497 -4.885 -5.464 1.00 0.00 N ATOM 142 CA LEU A 10 4.253 -5.047 -4.233 1.00 0.00 C ATOM 143 C LEU A 10 5.614 -5.664 -4.539 1.00 0.00 C ATOM 144 O LEU A 10 5.702 -6.691 -5.207 1.00 0.00 O ATOM 145 CB LEU A 10 3.473 -5.936 -3.257 1.00 0.00 C ATOM 146 CG LEU A 10 4.218 -6.349 -1.984 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.564 -5.140 -1.131 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.384 -7.339 -1.189 1.00 0.00 C ATOM 0 H LEU A 10 3.547 -5.689 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 10 4.406 -4.071 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.562 -5.412 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.167 -6.839 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 10 5.152 -6.827 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.092 -5.466 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.200 -4.463 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.648 -4.623 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.923 -7.626 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.435 -6.878 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.194 -8.225 -1.795 1.00 0.00 H new ATOM 160 N THR A 11 6.669 -5.025 -4.062 1.00 0.00 N ATOM 161 CA THR A 11 8.020 -5.507 -4.292 1.00 0.00 C ATOM 162 C THR A 11 8.857 -5.317 -3.025 1.00 0.00 C ATOM 163 O THR A 11 8.605 -4.399 -2.249 1.00 0.00 O ATOM 164 CB THR A 11 8.663 -4.770 -5.495 1.00 0.00 C ATOM 165 OG1 THR A 11 9.934 -5.342 -5.831 1.00 0.00 O ATOM 166 CG2 THR A 11 8.841 -3.289 -5.204 1.00 0.00 C ATOM 0 H THR A 11 6.615 -4.168 -3.511 1.00 0.00 H new ATOM 0 HA THR A 11 7.984 -6.570 -4.532 1.00 0.00 H new ATOM 0 HB THR A 11 7.984 -4.885 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.807 -6.058 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.294 -2.801 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.869 -2.839 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.487 -3.164 -4.335 1.00 0.00 H new ATOM 174 N PRO A 12 9.846 -6.189 -2.775 1.00 0.00 N ATOM 175 CA PRO A 12 10.176 -7.308 -3.659 1.00 0.00 C ATOM 176 C PRO A 12 9.192 -8.468 -3.535 1.00 0.00 C ATOM 177 O PRO A 12 8.626 -8.705 -2.468 1.00 0.00 O ATOM 178 CB PRO A 12 11.564 -7.728 -3.180 1.00 0.00 C ATOM 179 CG PRO A 12 11.585 -7.372 -1.733 1.00 0.00 C ATOM 180 CD PRO A 12 10.726 -6.144 -1.592 1.00 0.00 C ATOM 0 HA PRO A 12 10.135 -7.023 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.729 -8.795 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.348 -7.205 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.198 -8.190 -1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.603 -7.177 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.152 -6.162 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.328 -5.235 -1.576 1.00 0.00 H new ATOM 188 N VAL A 13 8.982 -9.174 -4.639 1.00 0.00 N ATOM 189 CA VAL A 13 8.105 -10.339 -4.647 1.00 0.00 C ATOM 190 C VAL A 13 8.764 -11.517 -3.930 1.00 0.00 C ATOM 191 O VAL A 13 8.087 -12.443 -3.480 1.00 0.00 O ATOM 192 CB VAL A 13 7.710 -10.759 -6.082 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.946 -9.639 -6.773 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.932 -11.156 -6.897 1.00 0.00 C ATOM 0 H VAL A 13 9.407 -8.960 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 13 7.196 -10.054 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 13 7.060 -11.631 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.676 -9.951 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.041 -9.413 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.573 -8.749 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.621 -11.446 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.618 -10.311 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.433 -11.996 -6.416 1.00 0.00 H new ATOM 204 N THR A 14 10.087 -11.489 -3.842 1.00 0.00 N ATOM 205 CA THR A 14 10.815 -12.473 -3.086 1.00 0.00 C ATOM 206 C THR A 14 11.500 -11.817 -1.891 1.00 0.00 C ATOM 207 O THR A 14 12.198 -10.813 -2.038 1.00 0.00 O ATOM 208 CB THR A 14 11.845 -13.199 -3.961 1.00 0.00 C ATOM 209 OG1 THR A 14 12.600 -12.264 -4.743 1.00 0.00 O ATOM 210 CG2 THR A 14 11.172 -14.211 -4.875 1.00 0.00 C ATOM 0 H THR A 14 10.673 -10.786 -4.292 1.00 0.00 H new ATOM 0 HA THR A 14 10.103 -13.215 -2.724 1.00 0.00 H new ATOM 0 HB THR A 14 12.524 -13.731 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.808 -11.476 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.926 -14.710 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.644 -14.950 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.463 -13.699 -5.525 1.00 0.00 H new ATOM 218 N VAL A 15 11.300 -12.388 -0.716 1.00 0.00 N ATOM 219 CA VAL A 15 11.775 -11.782 0.517 1.00 0.00 C ATOM 220 C VAL A 15 12.871 -12.615 1.176 1.00 0.00 C ATOM 221 O VAL A 15 12.900 -13.841 1.055 1.00 0.00 O ATOM 222 CB VAL A 15 10.617 -11.584 1.516 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.655 -10.524 1.008 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.884 -12.895 1.756 1.00 0.00 C ATOM 0 H VAL A 15 10.810 -13.274 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 15 12.193 -10.812 0.248 1.00 0.00 H new ATOM 0 HB VAL A 15 11.036 -11.248 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.843 -10.396 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.185 -9.579 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.245 -10.835 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.071 -12.733 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.477 -13.262 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.578 -13.631 2.163 1.00 0.00 H new ATOM 234 N VAL A 16 13.768 -11.935 1.871 1.00 0.00 N ATOM 235 CA VAL A 16 14.880 -12.583 2.548 1.00 0.00 C ATOM 236 C VAL A 16 14.478 -12.958 3.974 1.00 0.00 C ATOM 237 O VAL A 16 14.236 -12.086 4.808 1.00 0.00 O ATOM 238 CB VAL A 16 16.122 -11.664 2.583 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.326 -12.398 3.148 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.428 -11.119 1.196 1.00 0.00 C ATOM 0 H VAL A 16 13.746 -10.921 1.982 1.00 0.00 H new ATOM 0 HA VAL A 16 15.134 -13.485 1.992 1.00 0.00 H new ATOM 0 HB VAL A 16 15.900 -10.823 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.186 -11.729 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.107 -12.728 4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.550 -13.264 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.306 -10.475 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.622 -11.947 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.575 -10.544 0.835 1.00 0.00 H new ATOM 250 N PRO A 17 14.394 -14.262 4.269 1.00 0.00 N ATOM 251 CA PRO A 17 13.926 -14.758 5.567 1.00 0.00 C ATOM 252 C PRO A 17 15.019 -14.784 6.637 1.00 0.00 C ATOM 253 O PRO A 17 15.121 -15.738 7.407 1.00 0.00 O ATOM 254 CB PRO A 17 13.474 -16.176 5.227 1.00 0.00 C ATOM 255 CG PRO A 17 14.381 -16.608 4.127 1.00 0.00 C ATOM 256 CD PRO A 17 14.740 -15.365 3.353 1.00 0.00 C ATOM 0 HA PRO A 17 13.152 -14.121 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.557 -16.836 6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.431 -16.194 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 17 15.275 -17.087 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.889 -17.337 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.798 -15.349 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.180 -15.300 2.420 1.00 0.00 H new ATOM 264 N ASN A 18 15.833 -13.736 6.688 1.00 0.00 N ATOM 265 CA ASN A 18 16.872 -13.624 7.709 1.00 0.00 C ATOM 266 C ASN A 18 17.268 -12.167 7.928 1.00 0.00 C ATOM 267 O ASN A 18 18.388 -11.870 8.344 1.00 0.00 O ATOM 268 CB ASN A 18 18.107 -14.468 7.347 1.00 0.00 C ATOM 269 CG ASN A 18 18.668 -14.167 5.967 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.483 -13.261 5.794 1.00 0.00 O ATOM 271 ND2 ASN A 18 18.252 -14.948 4.980 1.00 0.00 N ATOM 0 H ASN A 18 15.795 -12.952 6.036 1.00 0.00 H new ATOM 0 HA ASN A 18 16.459 -14.013 8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.885 -14.296 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.843 -15.524 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.609 -14.809 4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.575 -15.688 5.166 1.00 0.00 H new ATOM 278 N THR A 19 16.331 -11.262 7.676 1.00 0.00 N ATOM 279 CA THR A 19 16.572 -9.841 7.864 1.00 0.00 C ATOM 280 C THR A 19 15.263 -9.064 7.714 1.00 0.00 C ATOM 281 O THR A 19 14.196 -9.661 7.537 1.00 0.00 O ATOM 282 CB THR A 19 17.630 -9.311 6.861 1.00 0.00 C ATOM 283 OG1 THR A 19 18.059 -7.994 7.236 1.00 0.00 O ATOM 284 CG2 THR A 19 17.082 -9.281 5.438 1.00 0.00 C ATOM 0 H THR A 19 15.395 -11.490 7.340 1.00 0.00 H new ATOM 0 HA THR A 19 16.963 -9.694 8.871 1.00 0.00 H new ATOM 0 HB THR A 19 18.480 -9.993 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.728 -7.673 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.849 -8.905 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.795 -10.289 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.210 -8.628 5.398 1.00 0.00 H new ATOM 292 N VAL A 20 15.341 -7.744 7.801 1.00 0.00 N ATOM 293 CA VAL A 20 14.170 -6.902 7.631 1.00 0.00 C ATOM 294 C VAL A 20 14.012 -6.524 6.166 1.00 0.00 C ATOM 295 O VAL A 20 14.884 -5.884 5.578 1.00 0.00 O ATOM 296 CB VAL A 20 14.241 -5.618 8.484 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.987 -4.779 8.291 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.432 -5.959 9.952 1.00 0.00 C ATOM 0 H VAL A 20 16.204 -7.234 7.989 1.00 0.00 H new ATOM 0 HA VAL A 20 13.309 -7.478 7.968 1.00 0.00 H new ATOM 0 HB VAL A 20 15.101 -5.035 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.055 -3.878 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.893 -4.501 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.113 -5.356 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.480 -5.040 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.594 -6.565 10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.360 -6.517 10.078 1.00 0.00 H new ATOM 308 N ASN A 21 12.899 -6.924 5.587 1.00 0.00 N ATOM 309 CA ASN A 21 12.635 -6.659 4.187 1.00 0.00 C ATOM 310 C ASN A 21 11.920 -5.333 4.024 1.00 0.00 C ATOM 311 O ASN A 21 10.898 -5.078 4.669 1.00 0.00 O ATOM 312 CB ASN A 21 11.807 -7.787 3.569 1.00 0.00 C ATOM 313 CG ASN A 21 12.565 -9.096 3.523 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.267 -9.386 2.555 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.431 -9.898 4.567 1.00 0.00 N ATOM 0 H ASN A 21 12.159 -7.436 6.067 1.00 0.00 H new ATOM 0 HA ASN A 21 13.590 -6.607 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.891 -7.920 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.510 -7.506 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.919 -10.793 4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.839 -9.621 5.350 1.00 0.00 H new ATOM 322 N THR A 22 12.480 -4.479 3.184 1.00 0.00 N ATOM 323 CA THR A 22 11.859 -3.213 2.861 1.00 0.00 C ATOM 324 C THR A 22 10.767 -3.432 1.822 1.00 0.00 C ATOM 325 O THR A 22 11.018 -3.389 0.617 1.00 0.00 O ATOM 326 CB THR A 22 12.895 -2.211 2.319 1.00 0.00 C ATOM 327 OG1 THR A 22 14.033 -2.182 3.190 1.00 0.00 O ATOM 328 CG2 THR A 22 12.303 -0.816 2.209 1.00 0.00 C ATOM 0 H THR A 22 13.369 -4.644 2.713 1.00 0.00 H new ATOM 0 HA THR A 22 11.426 -2.799 3.772 1.00 0.00 H new ATOM 0 HB THR A 22 13.197 -2.534 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.693 -1.546 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.057 -0.130 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.450 -0.835 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.977 -0.481 3.193 1.00 0.00 H new ATOM 336 N MET A 23 9.563 -3.703 2.297 1.00 0.00 N ATOM 337 CA MET A 23 8.458 -3.998 1.404 1.00 0.00 C ATOM 338 C MET A 23 7.904 -2.706 0.836 1.00 0.00 C ATOM 339 O MET A 23 7.354 -1.877 1.556 1.00 0.00 O ATOM 340 CB MET A 23 7.362 -4.788 2.122 1.00 0.00 C ATOM 341 CG MET A 23 7.842 -6.115 2.687 1.00 0.00 C ATOM 342 SD MET A 23 8.655 -7.147 1.453 1.00 0.00 S ATOM 343 CE MET A 23 7.327 -7.396 0.275 1.00 0.00 C ATOM 0 H MET A 23 9.328 -3.725 3.289 1.00 0.00 H new ATOM 0 HA MET A 23 8.826 -4.618 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.960 -4.181 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.544 -4.973 1.426 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.533 -5.926 3.508 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.992 -6.656 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.357 -8.420 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.369 -7.215 0.763 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.446 -6.704 -0.559 1.00 0.00 H new ATOM 353 N THR A 24 8.077 -2.540 -0.456 1.00 0.00 N ATOM 354 CA THR A 24 7.689 -1.325 -1.130 1.00 0.00 C ATOM 355 C THR A 24 6.376 -1.527 -1.877 1.00 0.00 C ATOM 356 O THR A 24 6.306 -2.304 -2.833 1.00 0.00 O ATOM 357 CB THR A 24 8.792 -0.891 -2.110 1.00 0.00 C ATOM 358 OG1 THR A 24 10.054 -0.849 -1.427 1.00 0.00 O ATOM 359 CG2 THR A 24 8.494 0.471 -2.703 1.00 0.00 C ATOM 0 H THR A 24 8.491 -3.244 -1.067 1.00 0.00 H new ATOM 0 HA THR A 24 7.548 -0.543 -0.384 1.00 0.00 H new ATOM 0 HB THR A 24 8.831 -1.618 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.756 -0.574 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.291 0.750 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.547 0.434 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.429 1.209 -1.904 1.00 0.00 H new ATOM 367 N ALA A 25 5.333 -0.852 -1.420 1.00 0.00 N ATOM 368 CA ALA A 25 4.033 -0.948 -2.062 1.00 0.00 C ATOM 369 C ALA A 25 3.786 0.265 -2.939 1.00 0.00 C ATOM 370 O ALA A 25 3.858 1.401 -2.476 1.00 0.00 O ATOM 371 CB ALA A 25 2.933 -1.081 -1.022 1.00 0.00 C ATOM 0 H ALA A 25 5.362 -0.234 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 25 4.024 -1.839 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.967 -1.152 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.101 -1.979 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.941 -0.208 -0.370 1.00 0.00 H new ATOM 377 N THR A 26 3.508 0.024 -4.206 1.00 0.00 N ATOM 378 CA THR A 26 3.245 1.098 -5.143 1.00 0.00 C ATOM 379 C THR A 26 1.772 1.491 -5.097 1.00 0.00 C ATOM 380 O THR A 26 0.906 0.716 -5.496 1.00 0.00 O ATOM 381 CB THR A 26 3.617 0.680 -6.579 1.00 0.00 C ATOM 382 OG1 THR A 26 4.951 0.154 -6.606 1.00 0.00 O ATOM 383 CG2 THR A 26 3.514 1.860 -7.533 1.00 0.00 C ATOM 0 H THR A 26 3.458 -0.911 -4.611 1.00 0.00 H new ATOM 0 HA THR A 26 3.859 1.951 -4.855 1.00 0.00 H new ATOM 0 HB THR A 26 2.915 -0.089 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.568 0.806 -6.213 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.782 1.539 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.492 2.240 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.194 2.649 -7.211 1.00 0.00 H new ATOM 391 N ILE A 27 1.487 2.677 -4.581 1.00 0.00 N ATOM 392 CA ILE A 27 0.120 3.174 -4.523 1.00 0.00 C ATOM 393 C ILE A 27 -0.064 4.289 -5.547 1.00 0.00 C ATOM 394 O ILE A 27 0.642 5.297 -5.501 1.00 0.00 O ATOM 395 CB ILE A 27 -0.233 3.714 -3.118 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.244 2.748 -2.023 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.733 3.951 -3.001 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.339 1.352 -2.119 1.00 0.00 C ATOM 0 H ILE A 27 2.184 3.314 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.546 2.340 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 27 0.282 4.665 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.331 2.678 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.010 3.168 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.965 4.331 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.046 4.679 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.263 3.013 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.052 0.738 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.425 1.405 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.063 0.908 -3.075 1.00 0.00 H new ATOM 410 N GLU A 28 -0.990 4.106 -6.474 1.00 0.00 N ATOM 411 CA GLU A 28 -1.232 5.107 -7.502 1.00 0.00 C ATOM 412 C GLU A 28 -2.630 5.696 -7.368 1.00 0.00 C ATOM 413 O GLU A 28 -3.619 4.966 -7.295 1.00 0.00 O ATOM 414 CB GLU A 28 -1.033 4.500 -8.894 1.00 0.00 C ATOM 415 CG GLU A 28 -1.334 5.460 -10.031 1.00 0.00 C ATOM 416 CD GLU A 28 -0.868 4.943 -11.373 1.00 0.00 C ATOM 417 OE1 GLU A 28 -1.615 4.180 -12.021 1.00 0.00 O ATOM 418 OE2 GLU A 28 0.255 5.295 -11.785 1.00 0.00 O ATOM 0 H GLU A 28 -1.584 3.279 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.512 5.915 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.003 4.155 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.673 3.623 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.408 5.644 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.854 6.417 -9.829 1.00 0.00 H new ATOM 425 N ASN A 29 -2.699 7.017 -7.318 1.00 0.00 N ATOM 426 CA ASN A 29 -3.977 7.714 -7.249 1.00 0.00 C ATOM 427 C ASN A 29 -4.480 8.009 -8.652 1.00 0.00 C ATOM 428 O ASN A 29 -3.992 8.917 -9.320 1.00 0.00 O ATOM 429 CB ASN A 29 -3.849 9.012 -6.449 1.00 0.00 C ATOM 430 CG ASN A 29 -5.116 9.852 -6.478 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.223 9.335 -6.635 1.00 0.00 O ATOM 432 ND2 ASN A 29 -4.958 11.156 -6.323 1.00 0.00 N ATOM 0 H ASN A 29 -1.884 7.630 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.694 7.071 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.601 8.773 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.021 9.598 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.770 11.773 -6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.024 11.545 -6.196 1.00 0.00 H new ATOM 439 N GLN A 30 -5.453 7.235 -9.092 1.00 0.00 N ATOM 440 CA GLN A 30 -5.959 7.344 -10.447 1.00 0.00 C ATOM 441 C GLN A 30 -7.248 8.158 -10.475 1.00 0.00 C ATOM 442 O GLN A 30 -8.285 7.694 -10.951 1.00 0.00 O ATOM 443 CB GLN A 30 -6.189 5.948 -11.025 1.00 0.00 C ATOM 444 CG GLN A 30 -4.963 5.053 -10.930 1.00 0.00 C ATOM 445 CD GLN A 30 -5.190 3.673 -11.514 1.00 0.00 C ATOM 446 OE1 GLN A 30 -6.310 3.162 -11.519 1.00 0.00 O ATOM 447 NE2 GLN A 30 -4.126 3.058 -12.000 1.00 0.00 N ATOM 0 H GLN A 30 -5.911 6.520 -8.527 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.221 7.862 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.018 5.475 -10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.485 6.038 -12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.131 5.529 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.671 4.955 -9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.216 3.518 -11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.215 2.124 -12.399 1.00 0.00 H new ATOM 456 N GLY A 31 -7.172 9.378 -9.969 1.00 0.00 N ATOM 457 CA GLY A 31 -8.329 10.248 -9.931 1.00 0.00 C ATOM 458 C GLY A 31 -7.946 11.691 -10.170 1.00 0.00 C ATOM 459 O GLY A 31 -6.759 12.022 -10.177 1.00 0.00 O ATOM 0 H GLY A 31 -6.321 9.785 -9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.048 9.932 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.822 10.157 -8.963 1.00 0.00 H new ATOM 463 N ASN A 32 -8.938 12.556 -10.347 1.00 0.00 N ATOM 464 CA ASN A 32 -8.671 13.951 -10.693 1.00 0.00 C ATOM 465 C ASN A 32 -8.450 14.789 -9.441 1.00 0.00 C ATOM 466 O ASN A 32 -8.229 15.998 -9.517 1.00 0.00 O ATOM 467 CB ASN A 32 -9.817 14.541 -11.536 1.00 0.00 C ATOM 468 CG ASN A 32 -10.999 15.056 -10.719 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.328 14.540 -9.644 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.652 16.088 -11.234 1.00 0.00 N ATOM 0 H ASN A 32 -9.927 12.321 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.759 13.975 -11.290 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.424 15.359 -12.140 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.174 13.778 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.454 16.482 -10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.353 16.489 -12.123 1.00 0.00 H new ATOM 477 N LYS A 33 -8.512 14.143 -8.288 1.00 0.00 N ATOM 478 CA LYS A 33 -8.337 14.836 -7.027 1.00 0.00 C ATOM 479 C LYS A 33 -7.166 14.253 -6.258 1.00 0.00 C ATOM 480 O LYS A 33 -7.036 13.034 -6.139 1.00 0.00 O ATOM 481 CB LYS A 33 -9.606 14.742 -6.177 1.00 0.00 C ATOM 482 CG LYS A 33 -9.508 15.482 -4.851 1.00 0.00 C ATOM 483 CD LYS A 33 -9.298 16.973 -5.064 1.00 0.00 C ATOM 484 CE LYS A 33 -9.106 17.715 -3.749 1.00 0.00 C ATOM 485 NZ LYS A 33 -7.839 17.335 -3.064 1.00 0.00 N ATOM 0 H LYS A 33 -8.682 13.141 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.135 15.885 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.445 15.143 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.826 13.692 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.418 15.320 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.683 15.076 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.426 17.129 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.156 17.388 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.107 18.789 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.949 17.506 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.908 17.568 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.678 16.314 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.046 17.858 -3.486 1.00 0.00 H new ATOM 499 N ASP A 34 -6.307 15.126 -5.763 1.00 0.00 N ATOM 500 CA ASP A 34 -5.227 14.713 -4.885 1.00 0.00 C ATOM 501 C ASP A 34 -5.802 14.208 -3.571 1.00 0.00 C ATOM 502 O ASP A 34 -6.779 14.757 -3.050 1.00 0.00 O ATOM 503 CB ASP A 34 -4.251 15.869 -4.623 1.00 0.00 C ATOM 504 CG ASP A 34 -4.884 17.016 -3.856 1.00 0.00 C ATOM 505 OD1 ASP A 34 -5.443 17.934 -4.500 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.839 17.013 -2.613 1.00 0.00 O ATOM 0 H ASP A 34 -6.337 16.127 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.674 13.911 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.394 15.494 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.872 16.241 -5.575 1.00 0.00 H new ATOM 511 N SER A 35 -5.220 13.147 -3.058 1.00 0.00 N ATOM 512 CA SER A 35 -5.637 12.592 -1.789 1.00 0.00 C ATOM 513 C SER A 35 -4.674 13.031 -0.699 1.00 0.00 C ATOM 514 O SER A 35 -3.459 13.027 -0.901 1.00 0.00 O ATOM 515 CB SER A 35 -5.689 11.068 -1.880 1.00 0.00 C ATOM 516 OG SER A 35 -4.495 10.561 -2.446 1.00 0.00 O ATOM 0 H SER A 35 -4.450 12.648 -3.504 1.00 0.00 H new ATOM 0 HA SER A 35 -6.634 12.957 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.835 10.644 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.543 10.764 -2.486 1.00 0.00 H new ATOM 0 HG SER A 35 -4.598 10.490 -3.418 1.00 0.00 H new ATOM 522 N THR A 36 -5.206 13.429 0.441 1.00 0.00 N ATOM 523 CA THR A 36 -4.370 13.874 1.537 1.00 0.00 C ATOM 524 C THR A 36 -3.846 12.667 2.330 1.00 0.00 C ATOM 525 O THR A 36 -3.307 11.730 1.739 1.00 0.00 O ATOM 526 CB THR A 36 -5.140 14.856 2.439 1.00 0.00 C ATOM 527 OG1 THR A 36 -5.974 15.692 1.620 1.00 0.00 O ATOM 528 CG2 THR A 36 -4.183 15.736 3.232 1.00 0.00 C ATOM 0 H THR A 36 -6.208 13.453 0.631 1.00 0.00 H new ATOM 0 HA THR A 36 -3.509 14.406 1.133 1.00 0.00 H new ATOM 0 HB THR A 36 -5.745 14.280 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.468 16.318 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.754 16.420 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.549 15.110 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.561 16.309 2.544 1.00 0.00 H new ATOM 536 N SER A 37 -4.018 12.657 3.642 1.00 0.00 N ATOM 537 CA SER A 37 -3.400 11.631 4.460 1.00 0.00 C ATOM 538 C SER A 37 -4.319 10.428 4.631 1.00 0.00 C ATOM 539 O SER A 37 -5.437 10.547 5.135 1.00 0.00 O ATOM 540 CB SER A 37 -3.007 12.196 5.825 1.00 0.00 C ATOM 541 OG SER A 37 -2.156 11.297 6.517 1.00 0.00 O ATOM 0 H SER A 37 -4.574 13.340 4.157 1.00 0.00 H new ATOM 0 HA SER A 37 -2.499 11.296 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.503 13.154 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.903 12.384 6.417 1.00 0.00 H new ATOM 0 HG SER A 37 -1.655 10.757 5.870 1.00 0.00 H new ATOM 547 N PHE A 38 -3.832 9.271 4.210 1.00 0.00 N ATOM 548 CA PHE A 38 -4.562 8.026 4.377 1.00 0.00 C ATOM 549 C PHE A 38 -3.653 6.991 5.025 1.00 0.00 C ATOM 550 O PHE A 38 -2.456 6.939 4.739 1.00 0.00 O ATOM 551 CB PHE A 38 -5.098 7.517 3.031 1.00 0.00 C ATOM 552 CG PHE A 38 -4.040 7.247 1.993 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.547 8.274 1.200 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.548 5.964 1.800 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.582 8.026 0.242 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.584 5.712 0.843 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.101 6.743 0.062 1.00 0.00 C ATOM 0 H PHE A 38 -2.929 9.169 3.748 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.421 8.203 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.661 6.600 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.799 8.251 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.922 9.278 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.923 5.152 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.204 8.835 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.208 4.709 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.349 6.547 -0.688 1.00 0.00 H new ATOM 567 N ASN A 39 -4.208 6.183 5.907 1.00 0.00 N ATOM 568 CA ASN A 39 -3.411 5.211 6.637 1.00 0.00 C ATOM 569 C ASN A 39 -3.361 3.891 5.875 1.00 0.00 C ATOM 570 O ASN A 39 -4.390 3.277 5.613 1.00 0.00 O ATOM 571 CB ASN A 39 -3.985 5.004 8.041 1.00 0.00 C ATOM 572 CG ASN A 39 -3.066 4.188 8.925 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.846 4.197 8.751 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.640 3.502 9.899 1.00 0.00 N ATOM 0 H ASN A 39 -5.202 6.178 6.136 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.394 5.590 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.163 5.974 8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.951 4.504 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.069 2.953 10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.654 3.522 10.008 1.00 0.00 H new ATOM 581 N VAL A 40 -2.163 3.462 5.513 1.00 0.00 N ATOM 582 CA VAL A 40 -1.998 2.260 4.714 1.00 0.00 C ATOM 583 C VAL A 40 -1.458 1.137 5.595 1.00 0.00 C ATOM 584 O VAL A 40 -0.716 1.385 6.544 1.00 0.00 O ATOM 585 CB VAL A 40 -1.065 2.531 3.505 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.359 2.073 3.766 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.620 1.894 2.244 1.00 0.00 C ATOM 0 H VAL A 40 -1.290 3.929 5.760 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.965 1.954 4.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.030 3.611 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.975 2.283 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.760 2.605 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.366 1.001 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.950 2.097 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.705 0.817 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.604 2.310 2.029 1.00 0.00 H new ATOM 597 N SER A 41 -1.846 -0.091 5.302 1.00 0.00 N ATOM 598 CA SER A 41 -1.471 -1.209 6.147 1.00 0.00 C ATOM 599 C SER A 41 -1.058 -2.419 5.320 1.00 0.00 C ATOM 600 O SER A 41 -1.661 -2.714 4.287 1.00 0.00 O ATOM 601 CB SER A 41 -2.636 -1.563 7.072 1.00 0.00 C ATOM 602 OG SER A 41 -3.860 -1.613 6.355 1.00 0.00 O ATOM 0 H SER A 41 -2.416 -0.338 4.493 1.00 0.00 H new ATOM 0 HA SER A 41 -0.609 -0.915 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.449 -2.527 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.708 -0.824 7.870 1.00 0.00 H new ATOM 0 HG SER A 41 -4.589 -1.843 6.968 1.00 0.00 H new ATOM 608 N LEU A 42 -0.011 -3.096 5.771 1.00 0.00 N ATOM 609 CA LEU A 42 0.431 -4.325 5.137 1.00 0.00 C ATOM 610 C LEU A 42 0.042 -5.515 5.999 1.00 0.00 C ATOM 611 O LEU A 42 0.563 -5.700 7.103 1.00 0.00 O ATOM 612 CB LEU A 42 1.945 -4.312 4.911 1.00 0.00 C ATOM 613 CG LEU A 42 2.514 -5.577 4.259 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.907 -5.796 2.882 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.027 -5.492 4.166 1.00 0.00 C ATOM 0 H LEU A 42 0.548 -2.812 6.576 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.056 -4.407 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.196 -3.455 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.439 -4.163 5.871 1.00 0.00 H new ATOM 0 HG LEU A 42 2.252 -6.430 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.326 -6.699 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.826 -5.905 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.133 -4.941 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.414 -6.398 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.307 -4.627 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.448 -5.389 5.166 1.00 0.00 H new ATOM 627 N LEU A 43 -0.892 -6.301 5.499 1.00 0.00 N ATOM 628 CA LEU A 43 -1.363 -7.472 6.208 1.00 0.00 C ATOM 629 C LEU A 43 -0.670 -8.717 5.672 1.00 0.00 C ATOM 630 O LEU A 43 -0.424 -8.828 4.476 1.00 0.00 O ATOM 631 CB LEU A 43 -2.885 -7.622 6.072 1.00 0.00 C ATOM 632 CG LEU A 43 -3.717 -6.398 6.481 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.886 -5.437 5.315 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.073 -6.832 7.012 1.00 0.00 C ATOM 0 H LEU A 43 -1.342 -6.147 4.597 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.124 -7.351 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.116 -7.864 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.203 -8.472 6.676 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.182 -5.875 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.479 -4.580 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.907 -5.096 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.394 -5.945 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.650 -5.953 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.608 -7.382 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.935 -7.473 7.882 1.00 0.00 H new ATOM 646 N VAL A 44 -0.340 -9.632 6.562 1.00 0.00 N ATOM 647 CA VAL A 44 0.265 -10.895 6.182 1.00 0.00 C ATOM 648 C VAL A 44 -0.575 -12.046 6.714 1.00 0.00 C ATOM 649 O VAL A 44 -0.598 -12.300 7.920 1.00 0.00 O ATOM 650 CB VAL A 44 1.710 -11.028 6.714 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.307 -12.372 6.323 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.579 -9.892 6.198 1.00 0.00 C ATOM 0 H VAL A 44 -0.483 -9.522 7.566 1.00 0.00 H new ATOM 0 HA VAL A 44 0.304 -10.926 5.093 1.00 0.00 H new ATOM 0 HB VAL A 44 1.677 -10.970 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.324 -12.444 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.702 -13.175 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.323 -12.461 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.592 -10.005 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.601 -9.917 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.168 -8.939 6.531 1.00 0.00 H new ATOM 662 N ASP A 45 -1.296 -12.702 5.810 1.00 0.00 N ATOM 663 CA ASP A 45 -2.137 -13.853 6.150 1.00 0.00 C ATOM 664 C ASP A 45 -3.179 -13.509 7.215 1.00 0.00 C ATOM 665 O ASP A 45 -3.679 -14.390 7.916 1.00 0.00 O ATOM 666 CB ASP A 45 -1.273 -15.035 6.604 1.00 0.00 C ATOM 667 CG ASP A 45 -0.771 -15.867 5.439 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.250 -15.496 4.820 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.407 -16.898 5.131 1.00 0.00 O ATOM 0 H ASP A 45 -1.316 -12.454 4.821 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.678 -14.137 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.422 -14.662 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.853 -15.668 7.276 1.00 0.00 H new ATOM 674 N GLY A 46 -3.516 -12.230 7.324 1.00 0.00 N ATOM 675 CA GLY A 46 -4.552 -11.816 8.247 1.00 0.00 C ATOM 676 C GLY A 46 -4.060 -10.821 9.278 1.00 0.00 C ATOM 677 O GLY A 46 -4.810 -9.943 9.706 1.00 0.00 O ATOM 0 H GLY A 46 -3.090 -11.473 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.375 -11.373 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.949 -12.694 8.757 1.00 0.00 H new ATOM 681 N ILE A 47 -2.803 -10.947 9.679 1.00 0.00 N ATOM 682 CA ILE A 47 -2.247 -10.073 10.704 1.00 0.00 C ATOM 683 C ILE A 47 -1.614 -8.850 10.059 1.00 0.00 C ATOM 684 O ILE A 47 -1.105 -8.922 8.948 1.00 0.00 O ATOM 685 CB ILE A 47 -1.176 -10.785 11.558 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.605 -12.219 11.898 1.00 0.00 C ATOM 687 CG2 ILE A 47 -0.895 -10.000 12.835 1.00 0.00 C ATOM 688 CD1 ILE A 47 -2.875 -12.302 12.722 1.00 0.00 C ATOM 0 H ILE A 47 -2.152 -11.641 9.313 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.072 -9.782 11.354 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.259 -10.833 10.970 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.748 -12.774 10.971 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.798 -12.710 12.442 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.138 -10.519 13.422 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.535 -9.004 12.578 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.811 -9.915 13.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.112 -13.347 12.921 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.731 -11.777 13.666 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.696 -11.842 12.172 1.00 0.00 H new ATOM 700 N VAL A 48 -1.638 -7.739 10.760 1.00 0.00 N ATOM 701 CA VAL A 48 -1.058 -6.505 10.256 1.00 0.00 C ATOM 702 C VAL A 48 0.351 -6.339 10.810 1.00 0.00 C ATOM 703 O VAL A 48 0.530 -6.110 12.006 1.00 0.00 O ATOM 704 CB VAL A 48 -1.909 -5.274 10.637 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.352 -4.016 9.991 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.363 -5.480 10.242 1.00 0.00 C ATOM 0 H VAL A 48 -2.055 -7.660 11.688 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.030 -6.570 9.168 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.864 -5.152 11.719 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.966 -3.160 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.329 -3.855 10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.361 -4.129 8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.944 -4.600 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.429 -5.633 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.760 -6.354 10.758 1.00 0.00 H new ATOM 716 N VAL A 49 1.345 -6.468 9.944 1.00 0.00 N ATOM 717 CA VAL A 49 2.736 -6.426 10.380 1.00 0.00 C ATOM 718 C VAL A 49 3.297 -5.011 10.336 1.00 0.00 C ATOM 719 O VAL A 49 4.225 -4.683 11.072 1.00 0.00 O ATOM 720 CB VAL A 49 3.633 -7.360 9.537 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.210 -8.810 9.718 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.600 -6.969 8.067 1.00 0.00 C ATOM 0 H VAL A 49 1.218 -6.602 8.941 1.00 0.00 H new ATOM 0 HA VAL A 49 2.742 -6.776 11.412 1.00 0.00 H new ATOM 0 HB VAL A 49 4.659 -7.253 9.889 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.852 -9.454 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.299 -9.087 10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.175 -8.930 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.240 -7.643 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.578 -7.038 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.959 -5.946 7.954 1.00 0.00 H new ATOM 732 N ASP A 50 2.729 -4.174 9.478 1.00 0.00 N ATOM 733 CA ASP A 50 3.201 -2.802 9.332 1.00 0.00 C ATOM 734 C ASP A 50 2.034 -1.886 8.990 1.00 0.00 C ATOM 735 O ASP A 50 1.095 -2.292 8.298 1.00 0.00 O ATOM 736 CB ASP A 50 4.276 -2.721 8.242 1.00 0.00 C ATOM 737 CG ASP A 50 5.079 -1.434 8.299 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.506 -0.355 8.065 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.294 -1.501 8.584 1.00 0.00 O ATOM 0 H ASP A 50 1.944 -4.419 8.875 1.00 0.00 H new ATOM 0 HA ASP A 50 3.640 -2.479 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.952 -3.570 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.802 -2.805 7.264 1.00 0.00 H new ATOM 744 N THR A 51 2.081 -0.664 9.494 1.00 0.00 N ATOM 745 CA THR A 51 1.038 0.316 9.245 1.00 0.00 C ATOM 746 C THR A 51 1.656 1.700 9.063 1.00 0.00 C ATOM 747 O THR A 51 2.227 2.270 9.996 1.00 0.00 O ATOM 748 CB THR A 51 0.025 0.338 10.406 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.406 -1.000 10.690 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.183 1.194 10.061 1.00 0.00 C ATOM 0 H THR A 51 2.840 -0.325 10.085 1.00 0.00 H new ATOM 0 HA THR A 51 0.511 0.037 8.333 1.00 0.00 H new ATOM 0 HB THR A 51 0.514 0.767 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.049 -0.987 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.881 1.192 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.860 2.216 9.861 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.675 0.789 9.177 1.00 0.00 H new ATOM 758 N GLN A 52 1.546 2.230 7.858 1.00 0.00 N ATOM 759 CA GLN A 52 2.181 3.491 7.515 1.00 0.00 C ATOM 760 C GLN A 52 1.130 4.481 7.019 1.00 0.00 C ATOM 761 O GLN A 52 0.482 4.255 5.999 1.00 0.00 O ATOM 762 CB GLN A 52 3.243 3.257 6.429 1.00 0.00 C ATOM 763 CG GLN A 52 4.398 4.256 6.433 1.00 0.00 C ATOM 764 CD GLN A 52 3.943 5.701 6.429 1.00 0.00 C ATOM 765 OE1 GLN A 52 3.792 6.316 7.486 1.00 0.00 O ATOM 766 NE2 GLN A 52 3.700 6.248 5.249 1.00 0.00 N ATOM 0 H GLN A 52 1.019 1.804 7.096 1.00 0.00 H new ATOM 0 HA GLN A 52 2.664 3.905 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.650 2.253 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.757 3.289 5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.018 4.080 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.026 4.078 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.838 5.705 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.375 7.213 5.191 1.00 0.00 H new ATOM 775 N THR A 53 0.952 5.567 7.747 1.00 0.00 N ATOM 776 CA THR A 53 0.034 6.610 7.330 1.00 0.00 C ATOM 777 C THR A 53 0.704 7.503 6.288 1.00 0.00 C ATOM 778 O THR A 53 1.661 8.215 6.593 1.00 0.00 O ATOM 779 CB THR A 53 -0.410 7.462 8.532 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.768 6.605 9.625 1.00 0.00 O ATOM 781 CG2 THR A 53 -1.595 8.345 8.168 1.00 0.00 C ATOM 0 H THR A 53 1.430 5.750 8.629 1.00 0.00 H new ATOM 0 HA THR A 53 -0.847 6.138 6.895 1.00 0.00 H new ATOM 0 HB THR A 53 0.422 8.104 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.115 5.757 9.276 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.888 8.936 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.315 9.012 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.432 7.720 7.855 1.00 0.00 H new ATOM 789 N VAL A 54 0.209 7.453 5.058 1.00 0.00 N ATOM 790 CA VAL A 54 0.789 8.236 3.982 1.00 0.00 C ATOM 791 C VAL A 54 0.337 9.686 4.104 1.00 0.00 C ATOM 792 O VAL A 54 -0.844 9.959 4.337 1.00 0.00 O ATOM 793 CB VAL A 54 0.404 7.670 2.593 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.068 8.463 1.477 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.776 6.197 2.498 1.00 0.00 C ATOM 0 H VAL A 54 -0.589 6.880 4.784 1.00 0.00 H new ATOM 0 HA VAL A 54 1.874 8.182 4.069 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.676 7.764 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.781 8.044 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.749 9.504 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.151 8.410 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.499 5.814 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.850 6.083 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.245 5.637 3.268 1.00 0.00 H new ATOM 805 N THR A 55 1.287 10.602 3.982 1.00 0.00 N ATOM 806 CA THR A 55 1.029 12.023 4.173 1.00 0.00 C ATOM 807 C THR A 55 0.054 12.563 3.129 1.00 0.00 C ATOM 808 O THR A 55 -0.866 13.310 3.461 1.00 0.00 O ATOM 809 CB THR A 55 2.345 12.822 4.113 1.00 0.00 C ATOM 810 OG1 THR A 55 3.303 12.242 5.011 1.00 0.00 O ATOM 811 CG2 THR A 55 2.121 14.280 4.486 1.00 0.00 C ATOM 0 H THR A 55 2.255 10.383 3.749 1.00 0.00 H new ATOM 0 HA THR A 55 0.576 12.142 5.157 1.00 0.00 H new ATOM 0 HB THR A 55 2.720 12.782 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.140 12.751 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.067 14.818 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.410 14.728 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.724 14.339 5.500 1.00 0.00 H new ATOM 819 N SER A 56 0.255 12.171 1.876 1.00 0.00 N ATOM 820 CA SER A 56 -0.582 12.633 0.780 1.00 0.00 C ATOM 821 C SER A 56 -0.151 11.964 -0.522 1.00 0.00 C ATOM 822 O SER A 56 1.012 11.591 -0.680 1.00 0.00 O ATOM 823 CB SER A 56 -0.501 14.164 0.654 1.00 0.00 C ATOM 824 OG SER A 56 -1.337 14.658 -0.380 1.00 0.00 O ATOM 0 H SER A 56 0.997 11.530 1.595 1.00 0.00 H new ATOM 0 HA SER A 56 -1.617 12.361 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.787 14.621 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.530 14.457 0.457 1.00 0.00 H new ATOM 0 HG SER A 56 -2.105 14.060 -0.494 1.00 0.00 H new ATOM 830 N LEU A 57 -1.098 11.795 -1.434 1.00 0.00 N ATOM 831 CA LEU A 57 -0.823 11.213 -2.736 1.00 0.00 C ATOM 832 C LEU A 57 -1.427 12.088 -3.833 1.00 0.00 C ATOM 833 O LEU A 57 -2.635 12.340 -3.851 1.00 0.00 O ATOM 834 CB LEU A 57 -1.365 9.780 -2.810 1.00 0.00 C ATOM 835 CG LEU A 57 -1.175 9.066 -4.151 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.272 9.142 -4.606 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.611 7.614 -4.037 1.00 0.00 C ATOM 0 H LEU A 57 -2.073 12.057 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 57 0.256 11.168 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.882 9.188 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.430 9.802 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.794 9.567 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.381 8.627 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.563 10.186 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.912 8.667 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.472 7.116 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.011 7.113 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.663 7.571 -3.755 1.00 0.00 H new ATOM 849 N GLU A 58 -0.570 12.547 -4.734 1.00 0.00 N ATOM 850 CA GLU A 58 -0.953 13.493 -5.777 1.00 0.00 C ATOM 851 C GLU A 58 -1.839 12.849 -6.840 1.00 0.00 C ATOM 852 O GLU A 58 -1.906 11.624 -6.955 1.00 0.00 O ATOM 853 CB GLU A 58 0.303 14.057 -6.433 1.00 0.00 C ATOM 854 CG GLU A 58 1.228 14.762 -5.460 1.00 0.00 C ATOM 855 CD GLU A 58 2.623 14.937 -6.013 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.851 15.885 -6.789 1.00 0.00 O ATOM 857 OE2 GLU A 58 3.497 14.115 -5.685 1.00 0.00 O ATOM 0 H GLU A 58 0.412 12.275 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.529 14.291 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.847 13.245 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.011 14.756 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.813 15.739 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.277 14.192 -4.532 1.00 0.00 H new ATOM 864 N SER A 59 -2.509 13.689 -7.615 1.00 0.00 N ATOM 865 CA SER A 59 -3.377 13.234 -8.689 1.00 0.00 C ATOM 866 C SER A 59 -2.564 12.576 -9.802 1.00 0.00 C ATOM 867 O SER A 59 -1.627 13.176 -10.330 1.00 0.00 O ATOM 868 CB SER A 59 -4.159 14.422 -9.248 1.00 0.00 C ATOM 869 OG SER A 59 -4.677 15.220 -8.197 1.00 0.00 O ATOM 0 H SER A 59 -2.466 14.703 -7.517 1.00 0.00 H new ATOM 0 HA SER A 59 -4.070 12.494 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.510 15.025 -9.883 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.975 14.064 -9.875 1.00 0.00 H new ATOM 0 HG SER A 59 -5.173 15.976 -8.574 1.00 0.00 H new ATOM 875 N GLU A 60 -2.917 11.331 -10.119 1.00 0.00 N ATOM 876 CA GLU A 60 -2.296 10.573 -11.208 1.00 0.00 C ATOM 877 C GLU A 60 -0.812 10.319 -10.953 1.00 0.00 C ATOM 878 O GLU A 60 -0.057 10.018 -11.879 1.00 0.00 O ATOM 879 CB GLU A 60 -2.493 11.281 -12.552 1.00 0.00 C ATOM 880 CG GLU A 60 -3.955 11.487 -12.918 1.00 0.00 C ATOM 881 CD GLU A 60 -4.135 11.995 -14.331 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.670 13.112 -14.633 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.737 11.271 -15.153 1.00 0.00 O ATOM 0 H GLU A 60 -3.646 10.816 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.795 9.605 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.994 12.250 -12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.009 10.698 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.491 10.545 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.404 12.195 -12.221 1.00 0.00 H new ATOM 890 N ASN A 61 -0.403 10.409 -9.697 1.00 0.00 N ATOM 891 CA ASN A 61 0.981 10.142 -9.330 1.00 0.00 C ATOM 892 C ASN A 61 1.053 8.884 -8.470 1.00 0.00 C ATOM 893 O ASN A 61 0.082 8.530 -7.794 1.00 0.00 O ATOM 894 CB ASN A 61 1.590 11.339 -8.585 1.00 0.00 C ATOM 895 CG ASN A 61 3.070 11.150 -8.289 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.775 10.460 -9.019 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.554 11.772 -7.225 1.00 0.00 N ATOM 0 H ASN A 61 -1.007 10.664 -8.916 1.00 0.00 H new ATOM 0 HA ASN A 61 1.560 9.984 -10.240 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.455 12.241 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.052 11.492 -7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.543 11.686 -6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.938 12.337 -6.641 1.00 0.00 H new ATOM 904 N SER A 62 2.188 8.205 -8.511 1.00 0.00 N ATOM 905 CA SER A 62 2.376 6.984 -7.750 1.00 0.00 C ATOM 906 C SER A 62 3.347 7.223 -6.598 1.00 0.00 C ATOM 907 O SER A 62 4.401 7.830 -6.777 1.00 0.00 O ATOM 908 CB SER A 62 2.912 5.880 -8.661 1.00 0.00 C ATOM 909 OG SER A 62 2.348 5.969 -9.959 1.00 0.00 O ATOM 0 H SER A 62 2.997 8.482 -9.067 1.00 0.00 H new ATOM 0 HA SER A 62 1.414 6.675 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.997 5.954 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.685 4.906 -8.229 1.00 0.00 H new ATOM 0 HG SER A 62 1.479 5.515 -9.970 1.00 0.00 H new ATOM 915 N THR A 63 2.982 6.756 -5.420 1.00 0.00 N ATOM 916 CA THR A 63 3.840 6.867 -4.255 1.00 0.00 C ATOM 917 C THR A 63 4.096 5.489 -3.660 1.00 0.00 C ATOM 918 O THR A 63 3.163 4.723 -3.414 1.00 0.00 O ATOM 919 CB THR A 63 3.223 7.813 -3.201 1.00 0.00 C ATOM 920 OG1 THR A 63 3.268 9.160 -3.692 1.00 0.00 O ATOM 921 CG2 THR A 63 3.949 7.731 -1.864 1.00 0.00 C ATOM 0 H THR A 63 2.091 6.293 -5.243 1.00 0.00 H new ATOM 0 HA THR A 63 4.793 7.294 -4.568 1.00 0.00 H new ATOM 0 HB THR A 63 2.192 7.503 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.876 9.764 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.481 8.413 -1.154 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.892 6.712 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.994 8.009 -2.000 1.00 0.00 H new ATOM 929 N ASN A 64 5.365 5.165 -3.472 1.00 0.00 N ATOM 930 CA ASN A 64 5.745 3.880 -2.915 1.00 0.00 C ATOM 931 C ASN A 64 5.836 3.965 -1.399 1.00 0.00 C ATOM 932 O ASN A 64 6.396 4.918 -0.854 1.00 0.00 O ATOM 933 CB ASN A 64 7.072 3.402 -3.506 1.00 0.00 C ATOM 934 CG ASN A 64 6.934 2.944 -4.946 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.567 1.800 -5.209 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.247 3.822 -5.888 1.00 0.00 N ATOM 0 H ASN A 64 6.150 5.776 -3.698 1.00 0.00 H new ATOM 0 HA ASN A 64 4.976 3.153 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.802 4.210 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.461 2.582 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.188 3.558 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.547 4.762 -5.630 1.00 0.00 H new ATOM 943 N VAL A 65 5.278 2.970 -0.729 1.00 0.00 N ATOM 944 CA VAL A 65 5.227 2.958 0.726 1.00 0.00 C ATOM 945 C VAL A 65 6.378 2.141 1.303 1.00 0.00 C ATOM 946 O VAL A 65 6.712 1.072 0.786 1.00 0.00 O ATOM 947 CB VAL A 65 3.898 2.367 1.237 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.744 2.606 2.730 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.720 2.946 0.471 1.00 0.00 C ATOM 0 H VAL A 65 4.852 2.156 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 65 5.309 3.994 1.055 1.00 0.00 H new ATOM 0 HB VAL A 65 3.915 1.291 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.800 2.181 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.569 2.131 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.753 3.677 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.793 2.515 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.697 4.028 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.824 2.711 -0.588 1.00 0.00 H new ATOM 959 N ASP A 66 6.969 2.662 2.372 1.00 0.00 N ATOM 960 CA ASP A 66 8.097 2.023 3.037 1.00 0.00 C ATOM 961 C ASP A 66 7.623 1.157 4.206 1.00 0.00 C ATOM 962 O ASP A 66 7.360 1.661 5.298 1.00 0.00 O ATOM 963 CB ASP A 66 9.073 3.101 3.534 1.00 0.00 C ATOM 964 CG ASP A 66 10.264 2.541 4.289 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.045 1.775 3.692 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.434 2.880 5.484 1.00 0.00 O ATOM 0 H ASP A 66 6.679 3.540 2.802 1.00 0.00 H new ATOM 0 HA ASP A 66 8.605 1.374 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.432 3.675 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.536 3.794 4.182 1.00 0.00 H new ATOM 971 N PHE A 67 7.484 -0.142 3.962 1.00 0.00 N ATOM 972 CA PHE A 67 7.107 -1.083 5.014 1.00 0.00 C ATOM 973 C PHE A 67 8.341 -1.790 5.560 1.00 0.00 C ATOM 974 O PHE A 67 9.289 -2.066 4.820 1.00 0.00 O ATOM 975 CB PHE A 67 6.125 -2.134 4.495 1.00 0.00 C ATOM 976 CG PHE A 67 4.773 -1.605 4.112 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.911 -1.103 5.071 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.360 -1.631 2.792 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.662 -0.634 4.721 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.110 -1.168 2.437 1.00 0.00 C ATOM 981 CZ PHE A 67 2.261 -0.667 3.400 1.00 0.00 C ATOM 0 H PHE A 67 7.626 -0.568 3.046 1.00 0.00 H new ATOM 0 HA PHE A 67 6.626 -0.510 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.566 -2.624 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.996 -2.898 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.220 -1.078 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.023 -2.018 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.999 -0.242 5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.797 -1.198 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.284 -0.301 3.122 1.00 0.00 H new ATOM 991 N HIS A 68 8.328 -2.088 6.850 1.00 0.00 N ATOM 992 CA HIS A 68 9.448 -2.773 7.481 1.00 0.00 C ATOM 993 C HIS A 68 9.032 -4.148 7.973 1.00 0.00 C ATOM 994 O HIS A 68 8.402 -4.287 9.022 1.00 0.00 O ATOM 995 CB HIS A 68 10.011 -1.942 8.635 1.00 0.00 C ATOM 996 CG HIS A 68 10.706 -0.703 8.175 1.00 0.00 C ATOM 997 ND1 HIS A 68 12.061 -0.509 8.293 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.223 0.399 7.564 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.382 0.656 7.771 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.283 1.228 7.318 1.00 0.00 N ATOM 0 H HIS A 68 7.557 -1.867 7.480 1.00 0.00 H new ATOM 0 HA HIS A 68 10.231 -2.898 6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.199 -1.668 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.709 -2.552 9.209 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.190 0.591 7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.377 1.073 7.722 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.232 2.138 6.860 1.00 0.00 H new ATOM 1009 N TRP A 69 9.384 -5.163 7.205 1.00 0.00 N ATOM 1010 CA TRP A 69 9.011 -6.526 7.533 1.00 0.00 C ATOM 1011 C TRP A 69 10.201 -7.279 8.116 1.00 0.00 C ATOM 1012 O TRP A 69 11.068 -7.758 7.385 1.00 0.00 O ATOM 1013 CB TRP A 69 8.476 -7.238 6.284 1.00 0.00 C ATOM 1014 CG TRP A 69 8.009 -8.645 6.525 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.838 -9.264 7.729 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.650 -9.606 5.527 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.402 -10.551 7.543 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.276 -10.784 6.198 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.606 -9.585 4.130 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.870 -11.929 5.522 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.200 -10.723 3.461 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.836 -11.880 4.156 1.00 0.00 C ATOM 0 H TRP A 69 9.929 -5.068 6.348 1.00 0.00 H new ATOM 0 HA TRP A 69 8.223 -6.505 8.285 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.648 -6.658 5.876 1.00 0.00 H new ATOM 0 HB3 TRP A 69 9.259 -7.253 5.526 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.020 -8.806 8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 69 7.204 -11.224 8.284 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.884 -8.696 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.591 -12.825 6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.163 -10.719 2.382 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.522 -12.753 3.603 1.00 0.00 H new ATOM 1033 N THR A 70 10.249 -7.356 9.438 1.00 0.00 N ATOM 1034 CA THR A 70 11.273 -8.135 10.109 1.00 0.00 C ATOM 1035 C THR A 70 10.958 -9.620 9.956 1.00 0.00 C ATOM 1036 O THR A 70 10.095 -10.158 10.650 1.00 0.00 O ATOM 1037 CB THR A 70 11.356 -7.770 11.605 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.423 -6.343 11.748 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.578 -8.405 12.252 1.00 0.00 C ATOM 0 H THR A 70 9.592 -6.889 10.063 1.00 0.00 H new ATOM 0 HA THR A 70 12.237 -7.911 9.652 1.00 0.00 H new ATOM 0 HB THR A 70 10.465 -8.151 12.104 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.474 -6.112 12.699 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.614 -8.133 13.307 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.517 -9.489 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.480 -8.049 11.754 1.00 0.00 H new ATOM 1047 N LEU A 71 11.634 -10.270 9.023 1.00 0.00 N ATOM 1048 CA LEU A 71 11.308 -11.641 8.685 1.00 0.00 C ATOM 1049 C LEU A 71 12.367 -12.605 9.196 1.00 0.00 C ATOM 1050 O LEU A 71 13.475 -12.677 8.663 1.00 0.00 O ATOM 1051 CB LEU A 71 11.138 -11.780 7.171 1.00 0.00 C ATOM 1052 CG LEU A 71 10.668 -13.151 6.683 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.395 -13.572 7.400 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.439 -13.116 5.185 1.00 0.00 C ATOM 0 H LEU A 71 12.407 -9.871 8.490 1.00 0.00 H new ATOM 0 HA LEU A 71 10.368 -11.898 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.424 -11.029 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.091 -11.551 6.694 1.00 0.00 H new ATOM 0 HG LEU A 71 11.444 -13.883 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.079 -14.550 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.582 -13.626 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.609 -12.842 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.104 -14.096 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.678 -12.371 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.369 -12.855 4.681 1.00 0.00 H new ATOM 1066 N ASP A 72 12.011 -13.334 10.244 1.00 0.00 N ATOM 1067 CA ASP A 72 12.877 -14.367 10.801 1.00 0.00 C ATOM 1068 C ASP A 72 12.812 -15.627 9.943 1.00 0.00 C ATOM 1069 O ASP A 72 13.701 -16.476 9.989 1.00 0.00 O ATOM 1070 CB ASP A 72 12.458 -14.681 12.242 1.00 0.00 C ATOM 1071 CG ASP A 72 13.295 -15.778 12.873 1.00 0.00 C ATOM 1072 OD1 ASP A 72 14.395 -15.478 13.381 1.00 0.00 O ATOM 1073 OD2 ASP A 72 12.851 -16.946 12.872 1.00 0.00 O ATOM 0 H ASP A 72 11.121 -13.229 10.730 1.00 0.00 H new ATOM 0 HA ASP A 72 13.904 -14.003 10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.540 -13.776 12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.409 -14.978 12.254 1.00 0.00 H new ATOM 1078 N GLY A 73 11.749 -15.734 9.153 1.00 0.00 N ATOM 1079 CA GLY A 73 11.599 -16.862 8.259 1.00 0.00 C ATOM 1080 C GLY A 73 10.869 -18.021 8.905 1.00 0.00 C ATOM 1081 O GLY A 73 11.493 -18.914 9.481 1.00 0.00 O ATOM 0 H GLY A 73 10.988 -15.056 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.056 -16.546 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.584 -17.195 7.931 1.00 0.00 H new ATOM 1085 N THR A 74 9.547 -18.002 8.823 1.00 0.00 N ATOM 1086 CA THR A 74 8.735 -19.075 9.372 1.00 0.00 C ATOM 1087 C THR A 74 8.163 -19.938 8.246 1.00 0.00 C ATOM 1088 O THR A 74 8.016 -21.151 8.389 1.00 0.00 O ATOM 1089 CB THR A 74 7.590 -18.510 10.238 1.00 0.00 C ATOM 1090 OG1 THR A 74 8.108 -17.516 11.135 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.917 -19.614 11.042 1.00 0.00 C ATOM 0 H THR A 74 9.014 -17.253 8.380 1.00 0.00 H new ATOM 0 HA THR A 74 9.373 -19.693 10.004 1.00 0.00 H new ATOM 0 HB THR A 74 6.849 -18.063 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.379 -17.158 11.683 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.114 -19.188 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.505 -20.360 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.650 -20.086 11.697 1.00 0.00 H new ATOM 1099 N ALA A 75 7.864 -19.303 7.119 1.00 0.00 N ATOM 1100 CA ALA A 75 7.342 -20.000 5.951 1.00 0.00 C ATOM 1101 C ALA A 75 8.068 -19.529 4.698 1.00 0.00 C ATOM 1102 O ALA A 75 8.904 -18.627 4.765 1.00 0.00 O ATOM 1103 CB ALA A 75 5.844 -19.771 5.820 1.00 0.00 C ATOM 0 H ALA A 75 7.976 -18.297 6.990 1.00 0.00 H new ATOM 0 HA ALA A 75 7.513 -21.070 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.471 -20.299 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.339 -20.146 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.647 -18.704 5.713 1.00 0.00 H new ATOM 1109 N ASN A 76 7.761 -20.140 3.563 1.00 0.00 N ATOM 1110 CA ASN A 76 8.401 -19.773 2.304 1.00 0.00 C ATOM 1111 C ASN A 76 7.431 -19.025 1.398 1.00 0.00 C ATOM 1112 O ASN A 76 7.818 -18.487 0.361 1.00 0.00 O ATOM 1113 CB ASN A 76 8.934 -21.020 1.587 1.00 0.00 C ATOM 1114 CG ASN A 76 7.836 -21.905 1.014 1.00 0.00 C ATOM 1115 OD1 ASN A 76 6.703 -21.920 1.501 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.173 -22.660 -0.019 1.00 0.00 N ATOM 0 H ASN A 76 7.075 -20.891 3.486 1.00 0.00 H new ATOM 0 HA ASN A 76 9.238 -19.113 2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.598 -20.710 0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.533 -21.604 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.485 -23.283 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.121 -22.619 -0.393 1.00 0.00 H new ATOM 1123 N SER A 77 6.170 -18.998 1.802 1.00 0.00 N ATOM 1124 CA SER A 77 5.125 -18.342 1.036 1.00 0.00 C ATOM 1125 C SER A 77 4.209 -17.547 1.961 1.00 0.00 C ATOM 1126 O SER A 77 3.556 -18.109 2.842 1.00 0.00 O ATOM 1127 CB SER A 77 4.336 -19.384 0.237 1.00 0.00 C ATOM 1128 OG SER A 77 4.122 -20.564 1.002 1.00 0.00 O ATOM 0 H SER A 77 5.845 -19.429 2.667 1.00 0.00 H new ATOM 0 HA SER A 77 5.579 -17.642 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.377 -18.964 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.877 -19.632 -0.676 1.00 0.00 H new ATOM 0 HG SER A 77 4.967 -21.051 1.095 1.00 0.00 H new ATOM 1134 N TYR A 78 4.188 -16.238 1.775 1.00 0.00 N ATOM 1135 CA TYR A 78 3.379 -15.361 2.610 1.00 0.00 C ATOM 1136 C TYR A 78 2.331 -14.633 1.780 1.00 0.00 C ATOM 1137 O TYR A 78 2.589 -14.237 0.640 1.00 0.00 O ATOM 1138 CB TYR A 78 4.263 -14.345 3.333 1.00 0.00 C ATOM 1139 CG TYR A 78 5.101 -14.934 4.444 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.342 -15.505 4.185 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.656 -14.901 5.758 1.00 0.00 C ATOM 1142 CE1 TYR A 78 7.110 -16.031 5.207 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.416 -15.426 6.783 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.642 -15.989 6.504 1.00 0.00 C ATOM 1145 OH TYR A 78 7.404 -16.508 7.529 1.00 0.00 O ATOM 0 H TYR A 78 4.723 -15.757 1.052 1.00 0.00 H new ATOM 0 HA TYR A 78 2.869 -15.980 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.924 -13.872 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.631 -13.560 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.711 -15.538 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.698 -14.456 5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.072 -16.473 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.051 -15.396 7.799 1.00 0.00 H new ATOM 0 HH TYR A 78 7.055 -16.192 8.388 1.00 0.00 H new ATOM 1155 N THR A 79 1.155 -14.455 2.358 1.00 0.00 N ATOM 1156 CA THR A 79 0.075 -13.762 1.686 1.00 0.00 C ATOM 1157 C THR A 79 0.002 -12.316 2.167 1.00 0.00 C ATOM 1158 O THR A 79 -0.607 -12.021 3.198 1.00 0.00 O ATOM 1159 CB THR A 79 -1.272 -14.467 1.936 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.150 -15.864 1.627 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.377 -13.854 1.089 1.00 0.00 C ATOM 0 H THR A 79 0.926 -14.784 3.296 1.00 0.00 H new ATOM 0 HA THR A 79 0.276 -13.775 0.615 1.00 0.00 H new ATOM 0 HB THR A 79 -1.534 -14.341 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.007 -16.311 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.316 -14.371 1.286 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.485 -12.799 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.123 -13.952 0.033 1.00 0.00 H new ATOM 1169 N LEU A 80 0.649 -11.423 1.435 1.00 0.00 N ATOM 1170 CA LEU A 80 0.690 -10.022 1.814 1.00 0.00 C ATOM 1171 C LEU A 80 -0.448 -9.254 1.163 1.00 0.00 C ATOM 1172 O LEU A 80 -0.765 -9.452 -0.008 1.00 0.00 O ATOM 1173 CB LEU A 80 2.039 -9.396 1.455 1.00 0.00 C ATOM 1174 CG LEU A 80 3.116 -9.496 2.544 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.396 -10.945 2.911 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.391 -8.806 2.091 1.00 0.00 C ATOM 0 H LEU A 80 1.152 -11.644 0.576 1.00 0.00 H new ATOM 0 HA LEU A 80 0.568 -9.963 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.414 -9.874 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.882 -8.344 1.218 1.00 0.00 H new ATOM 0 HG LEU A 80 2.742 -8.992 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.163 -10.983 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.483 -11.409 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.743 -11.483 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.145 -8.885 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.759 -9.282 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.184 -7.755 1.891 1.00 0.00 H new ATOM 1188 N THR A 81 -1.074 -8.399 1.940 1.00 0.00 N ATOM 1189 CA THR A 81 -2.194 -7.617 1.470 1.00 0.00 C ATOM 1190 C THR A 81 -2.008 -6.155 1.848 1.00 0.00 C ATOM 1191 O THR A 81 -1.812 -5.831 3.015 1.00 0.00 O ATOM 1192 CB THR A 81 -3.511 -8.143 2.071 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.601 -9.559 1.872 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.713 -7.465 1.434 1.00 0.00 C ATOM 0 H THR A 81 -0.822 -8.227 2.913 1.00 0.00 H new ATOM 0 HA THR A 81 -2.242 -7.705 0.385 1.00 0.00 H new ATOM 0 HB THR A 81 -3.513 -7.917 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.439 -9.891 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.629 -7.856 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.657 -6.390 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.716 -7.662 0.362 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.036 -5.281 0.860 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.931 -3.854 1.111 1.00 0.00 C ATOM 1204 C VAL A 82 -3.323 -3.242 1.182 1.00 0.00 C ATOM 1205 O VAL A 82 -4.017 -3.147 0.169 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.113 -3.139 0.015 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.948 -1.660 0.341 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.244 -3.805 -0.164 1.00 0.00 C ATOM 0 H VAL A 82 -2.130 -5.533 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.413 -3.721 2.061 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.660 -3.220 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.368 -1.177 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.929 -1.191 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.428 -1.553 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.805 -3.286 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.798 -3.761 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.103 -4.846 -0.453 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.743 -2.850 2.377 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.059 -2.258 2.542 1.00 0.00 C ATOM 1220 C ASN A 83 -4.937 -0.748 2.618 1.00 0.00 C ATOM 1221 O ASN A 83 -4.273 -0.209 3.510 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.759 -2.793 3.791 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.224 -2.398 3.836 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.083 -3.113 3.324 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.520 -1.259 4.441 1.00 0.00 N ATOM 0 H ASN A 83 -3.198 -2.930 3.235 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.665 -2.531 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.676 -3.880 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.254 -2.414 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.490 -0.947 4.494 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.779 -0.693 4.854 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.573 -0.075 1.680 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.483 1.370 1.581 1.00 0.00 C ATOM 1234 C VAL A 84 -6.616 2.035 2.352 1.00 0.00 C ATOM 1235 O VAL A 84 -7.770 1.989 1.933 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.502 1.831 0.108 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.462 3.348 0.012 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.330 1.222 -0.646 1.00 0.00 C ATOM 0 H VAL A 84 -6.163 -0.509 0.970 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.533 1.672 2.022 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.432 1.488 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.476 3.647 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.330 3.768 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.551 3.718 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.353 1.554 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.395 1.540 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.400 0.135 -0.611 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.257 2.610 3.496 1.00 0.00 N ATOM 1249 CA ASP A 85 -7.181 3.355 4.352 1.00 0.00 C ATOM 1250 C ASP A 85 -8.310 2.473 4.883 1.00 0.00 C ATOM 1251 O ASP A 85 -9.344 2.296 4.241 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.758 4.570 3.624 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.454 5.530 4.568 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.740 5.144 5.725 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.703 6.681 4.167 1.00 0.00 O ATOM 0 H ASP A 85 -5.305 2.573 3.861 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.601 3.704 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.956 5.093 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.465 4.234 2.865 1.00 0.00 H new ATOM 1260 N PRO A 86 -8.112 1.896 6.073 1.00 0.00 N ATOM 1261 CA PRO A 86 -9.133 1.128 6.761 1.00 0.00 C ATOM 1262 C PRO A 86 -9.920 1.987 7.752 1.00 0.00 C ATOM 1263 O PRO A 86 -10.620 1.465 8.625 1.00 0.00 O ATOM 1264 CB PRO A 86 -8.300 0.082 7.497 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.995 0.755 7.795 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.858 1.919 6.840 1.00 0.00 C ATOM 0 HA PRO A 86 -9.885 0.713 6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.794 -0.241 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.153 -0.807 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.969 1.101 8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.166 0.058 7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.733 2.861 7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.990 1.803 6.191 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.802 3.303 7.610 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.399 4.236 8.559 1.00 0.00 C ATOM 1276 C GLU A 87 -11.304 5.250 7.862 1.00 0.00 C ATOM 1277 O GLU A 87 -11.909 6.101 8.519 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.293 4.959 9.329 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.469 4.027 10.202 1.00 0.00 C ATOM 1280 CD GLU A 87 -7.215 4.680 10.738 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.296 5.826 11.230 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -6.145 4.041 10.686 1.00 0.00 O ATOM 0 H GLU A 87 -9.297 3.749 6.844 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.018 3.666 9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.634 5.462 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.739 5.733 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.080 3.685 11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.195 3.144 9.625 1.00 0.00 H new ATOM 1289 N ASN A 88 -11.376 5.159 6.536 1.00 0.00 N ATOM 1290 CA ASN A 88 -12.250 6.019 5.733 1.00 0.00 C ATOM 1291 C ASN A 88 -11.866 7.488 5.902 1.00 0.00 C ATOM 1292 O ASN A 88 -12.701 8.339 6.207 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.723 5.803 6.116 1.00 0.00 C ATOM 1294 CG ASN A 88 -14.692 6.480 5.159 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.443 6.565 3.958 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -15.802 6.974 5.689 1.00 0.00 N ATOM 0 H ASN A 88 -10.834 4.491 5.988 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.122 5.748 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.933 4.734 6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.890 6.184 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -16.485 7.444 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -15.973 6.884 6.690 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.589 7.777 5.714 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.097 9.140 5.794 1.00 0.00 C ATOM 1305 C ALA A 89 -10.182 9.800 4.428 1.00 0.00 C ATOM 1306 O ALA A 89 -10.447 11.000 4.313 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.666 9.159 6.311 1.00 0.00 C ATOM 0 H ALA A 89 -9.873 7.082 5.504 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.718 9.700 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.312 10.189 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.632 8.711 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.027 8.591 5.635 1.00 0.00 H new ATOM 1313 N VAL A 90 -9.960 9.003 3.394 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.066 9.472 2.024 1.00 0.00 C ATOM 1315 C VAL A 90 -11.145 8.690 1.282 1.00 0.00 C ATOM 1316 O VAL A 90 -11.029 7.482 1.097 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.723 9.338 1.268 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.856 9.832 -0.166 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.621 10.099 1.992 1.00 0.00 C ATOM 0 H VAL A 90 -9.703 8.020 3.481 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.334 10.528 2.060 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.454 8.282 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.899 9.728 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.611 9.242 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.154 10.881 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.685 9.992 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.887 11.154 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.501 9.696 2.998 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.203 9.381 0.879 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.276 8.746 0.122 1.00 0.00 C ATOM 1331 C ASN A 91 -12.869 8.613 -1.339 1.00 0.00 C ATOM 1332 O ASN A 91 -12.372 9.569 -1.938 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.571 9.552 0.229 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.746 8.850 -0.429 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.847 7.622 -0.405 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.638 9.624 -1.027 1.00 0.00 N ATOM 0 H ASN A 91 -12.342 10.375 1.062 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.453 7.756 0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.799 9.729 1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.428 10.528 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.446 9.207 -1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.518 10.637 -1.024 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.083 7.436 -1.909 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.624 7.150 -3.259 1.00 0.00 C ATOM 1345 C GLU A 92 -13.761 6.749 -4.180 1.00 0.00 C ATOM 1346 O GLU A 92 -14.899 6.565 -3.745 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.624 6.006 -3.249 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.384 6.251 -2.421 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.483 5.046 -2.445 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -9.350 4.442 -3.533 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -8.930 4.690 -1.391 1.00 0.00 O ATOM 0 H GLU A 92 -13.572 6.664 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.168 8.069 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.122 5.111 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.322 5.798 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.849 7.119 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.666 6.480 -1.393 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.418 6.623 -5.459 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.300 6.034 -6.445 1.00 0.00 C ATOM 1360 C GLY A 93 -14.706 4.622 -6.073 1.00 0.00 C ATOM 1361 O GLY A 93 -15.613 4.412 -5.270 1.00 0.00 O ATOM 0 H GLY A 93 -12.520 6.928 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.192 6.652 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.804 6.025 -7.416 1.00 0.00 H new ATOM 1365 N ASN A 94 -14.056 3.647 -6.697 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.329 2.238 -6.411 1.00 0.00 C ATOM 1367 C ASN A 94 -13.974 1.903 -4.966 1.00 0.00 C ATOM 1368 O ASN A 94 -13.117 2.543 -4.362 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.527 1.324 -7.339 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.848 1.531 -8.802 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.965 1.901 -9.164 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -12.866 1.290 -9.653 1.00 0.00 N ATOM 0 H ASN A 94 -13.337 3.802 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.394 2.074 -6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.463 1.498 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.724 0.285 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.018 1.409 -10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.956 0.985 -9.308 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.637 0.899 -4.415 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.339 0.443 -3.066 1.00 0.00 C ATOM 1381 C GLU A 95 -13.431 -0.787 -3.123 1.00 0.00 C ATOM 1382 O GLU A 95 -12.979 -1.306 -2.099 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.641 0.131 -2.328 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.470 -0.075 -0.833 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.796 -0.151 -0.116 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.302 0.906 0.312 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.347 -1.263 0.009 1.00 0.00 O ATOM 0 H GLU A 95 -15.385 0.384 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.815 1.229 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.345 0.947 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.085 -0.766 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.909 -0.993 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.881 0.744 -0.420 1.00 0.00 H new ATOM 1394 N SER A 96 -13.158 -1.235 -4.339 1.00 0.00 N ATOM 1395 CA SER A 96 -12.282 -2.373 -4.558 1.00 0.00 C ATOM 1396 C SER A 96 -10.826 -1.922 -4.644 1.00 0.00 C ATOM 1397 O SER A 96 -9.916 -2.745 -4.737 1.00 0.00 O ATOM 1398 CB SER A 96 -12.699 -3.103 -5.836 1.00 0.00 C ATOM 1399 OG SER A 96 -12.941 -2.184 -6.891 1.00 0.00 O ATOM 0 H SER A 96 -13.534 -0.824 -5.193 1.00 0.00 H new ATOM 0 HA SER A 96 -12.371 -3.058 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.917 -3.803 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.598 -3.690 -5.647 1.00 0.00 H new ATOM 0 HG SER A 96 -13.204 -2.674 -7.698 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.612 -0.608 -4.601 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.263 -0.051 -4.670 1.00 0.00 C ATOM 1407 C ASN A 97 -8.507 -0.346 -3.388 1.00 0.00 C ATOM 1408 O ASN A 97 -7.315 -0.620 -3.407 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.277 1.472 -4.851 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.062 1.970 -6.046 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.236 1.271 -7.047 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.521 3.207 -5.947 1.00 0.00 N ATOM 0 H ASN A 97 -11.353 0.088 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.781 -0.515 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.690 1.926 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.248 1.821 -4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.044 3.620 -6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.352 3.747 -5.098 1.00 0.00 H new ATOM 1419 N ASN A 98 -9.232 -0.327 -2.279 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.634 -0.286 -0.945 1.00 0.00 C ATOM 1421 C ASN A 98 -7.980 -1.605 -0.530 1.00 0.00 C ATOM 1422 O ASN A 98 -7.736 -1.824 0.655 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.705 0.093 0.082 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.423 1.376 -0.287 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.453 1.350 -0.964 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.887 2.500 0.154 1.00 0.00 N ATOM 0 H ASN A 98 -10.252 -0.339 -2.275 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.842 0.462 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.430 -0.717 0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.242 0.207 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.327 3.394 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.033 2.474 0.711 1.00 0.00 H new ATOM 1433 N THR A 99 -7.674 -2.475 -1.479 1.00 0.00 N ATOM 1434 CA THR A 99 -7.059 -3.752 -1.150 1.00 0.00 C ATOM 1435 C THR A 99 -6.164 -4.249 -2.288 1.00 0.00 C ATOM 1436 O THR A 99 -6.406 -3.959 -3.460 1.00 0.00 O ATOM 1437 CB THR A 99 -8.129 -4.819 -0.849 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.236 -4.224 -0.155 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.556 -5.940 0.004 1.00 0.00 C ATOM 0 H THR A 99 -7.839 -2.323 -2.474 1.00 0.00 H new ATOM 0 HA THR A 99 -6.448 -3.592 -0.262 1.00 0.00 H new ATOM 0 HB THR A 99 -8.465 -5.233 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.912 -4.909 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.332 -6.680 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.729 -6.414 -0.525 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.195 -5.531 0.948 1.00 0.00 H new ATOM 1447 N LEU A 100 -5.130 -4.988 -1.918 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.222 -5.615 -2.875 1.00 0.00 C ATOM 1449 C LEU A 100 -3.615 -6.869 -2.258 1.00 0.00 C ATOM 1450 O LEU A 100 -2.700 -6.785 -1.437 1.00 0.00 O ATOM 1451 CB LEU A 100 -3.093 -4.662 -3.300 1.00 0.00 C ATOM 1452 CG LEU A 100 -2.035 -5.289 -4.217 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.613 -5.576 -5.594 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.814 -4.388 -4.324 1.00 0.00 C ATOM 0 H LEU A 100 -4.893 -5.172 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.801 -5.871 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.533 -3.804 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.600 -4.283 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.724 -6.236 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.844 -6.020 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.450 -6.268 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.960 -4.646 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.076 -4.851 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.109 -3.423 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.381 -4.243 -3.334 1.00 0.00 H new ATOM 1466 N THR A 101 -4.145 -8.021 -2.630 1.00 0.00 N ATOM 1467 CA THR A 101 -3.635 -9.292 -2.141 1.00 0.00 C ATOM 1468 C THR A 101 -2.592 -9.853 -3.106 1.00 0.00 C ATOM 1469 O THR A 101 -2.909 -10.207 -4.242 1.00 0.00 O ATOM 1470 CB THR A 101 -4.776 -10.316 -1.958 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.778 -9.784 -1.080 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.250 -11.625 -1.388 1.00 0.00 C ATOM 0 H THR A 101 -4.933 -8.103 -3.273 1.00 0.00 H new ATOM 0 HA THR A 101 -3.170 -9.113 -1.171 1.00 0.00 H new ATOM 0 HB THR A 101 -5.212 -10.512 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.499 -10.439 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.075 -12.328 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.509 -12.046 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.789 -11.440 -0.418 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.349 -9.919 -2.653 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.263 -10.420 -3.478 1.00 0.00 C ATOM 1482 C ALA A 102 0.543 -11.473 -2.729 1.00 0.00 C ATOM 1483 O ALA A 102 0.882 -11.295 -1.558 1.00 0.00 O ATOM 1484 CB ALA A 102 0.639 -9.274 -3.914 1.00 0.00 C ATOM 0 H ALA A 102 -1.068 -9.631 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.692 -10.886 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.449 -9.663 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.058 -8.553 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.057 -8.785 -3.034 1.00 0.00 H new ATOM 1490 N LEU A 103 0.835 -12.574 -3.402 1.00 0.00 N ATOM 1491 CA LEU A 103 1.630 -13.639 -2.811 1.00 0.00 C ATOM 1492 C LEU A 103 3.113 -13.362 -2.989 1.00 0.00 C ATOM 1493 O LEU A 103 3.582 -13.131 -4.104 1.00 0.00 O ATOM 1494 CB LEU A 103 1.278 -14.990 -3.437 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.094 -15.543 -3.058 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.370 -16.836 -3.806 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.177 -15.768 -1.556 1.00 0.00 C ATOM 0 H LEU A 103 0.533 -12.754 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 103 1.402 -13.675 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.326 -14.894 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.038 -15.716 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.853 -14.813 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.352 -17.217 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.348 -16.647 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.392 -17.573 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.161 -16.162 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.590 -16.481 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.020 -14.822 -1.037 1.00 0.00 H new ATOM 1509 N VAL A 104 3.841 -13.381 -1.888 1.00 0.00 N ATOM 1510 CA VAL A 104 5.278 -13.184 -1.928 1.00 0.00 C ATOM 1511 C VAL A 104 5.980 -14.442 -1.431 1.00 0.00 C ATOM 1512 O VAL A 104 5.459 -15.156 -0.565 1.00 0.00 O ATOM 1513 CB VAL A 104 5.728 -11.958 -1.094 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.006 -10.698 -1.550 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.502 -12.184 0.391 1.00 0.00 C ATOM 0 H VAL A 104 3.460 -13.531 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 104 5.556 -12.987 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 104 6.798 -11.827 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.338 -9.851 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.231 -10.510 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.931 -10.830 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.828 -11.305 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.442 -12.357 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.074 -13.053 0.718 1.00 0.00 H new ATOM 1525 N GLY A 105 7.145 -14.723 -1.983 1.00 0.00 N ATOM 1526 CA GLY A 105 7.859 -15.922 -1.616 1.00 0.00 C ATOM 1527 C GLY A 105 9.244 -15.606 -1.121 1.00 0.00 C ATOM 1528 O GLY A 105 9.732 -14.501 -1.322 1.00 0.00 O ATOM 0 H GLY A 105 7.610 -14.141 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.307 -16.454 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.922 -16.588 -2.477 1.00 0.00 H new ATOM 1532 N THR A 106 9.873 -16.557 -0.461 1.00 0.00 N ATOM 1533 CA THR A 106 11.223 -16.357 0.019 1.00 0.00 C ATOM 1534 C THR A 106 12.210 -16.329 -1.142 1.00 0.00 C ATOM 1535 O THR A 106 11.976 -16.950 -2.180 1.00 0.00 O ATOM 1536 CB THR A 106 11.625 -17.442 1.029 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.388 -18.743 0.475 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.842 -17.281 2.324 1.00 0.00 C ATOM 0 H THR A 106 9.473 -17.470 -0.246 1.00 0.00 H new ATOM 0 HA THR A 106 11.251 -15.393 0.527 1.00 0.00 H new ATOM 0 HB THR A 106 12.688 -17.335 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.649 -19.428 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 106 11.140 -18.058 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.050 -16.302 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.775 -17.368 2.117 1.00 0.00 H new ATOM 1546 N LEU A 107 13.291 -15.584 -0.957 1.00 0.00 N ATOM 1547 CA LEU A 107 14.308 -15.399 -1.983 1.00 0.00 C ATOM 1548 C LEU A 107 14.792 -16.735 -2.544 1.00 0.00 C ATOM 1549 O LEU A 107 15.277 -17.594 -1.804 1.00 0.00 O ATOM 1550 CB LEU A 107 15.480 -14.608 -1.399 1.00 0.00 C ATOM 1551 CG LEU A 107 16.568 -14.207 -2.393 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.985 -13.352 -3.509 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.678 -13.461 -1.673 1.00 0.00 C ATOM 0 H LEU A 107 13.488 -15.089 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 107 13.866 -14.842 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 107 15.088 -13.704 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.937 -15.202 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 107 16.984 -15.110 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.776 -13.076 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.216 -13.917 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.545 -12.450 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 107 18.450 -13.178 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.270 -12.564 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 107 18.111 -14.104 -0.907 1.00 0.00 H new ATOM 1565 N GLU A 108 14.642 -16.893 -3.856 1.00 0.00 N ATOM 1566 CA GLU A 108 15.006 -18.124 -4.546 1.00 0.00 C ATOM 1567 C GLU A 108 16.504 -18.398 -4.412 1.00 0.00 C ATOM 1568 O GLU A 108 16.905 -19.384 -3.793 1.00 0.00 O ATOM 1569 CB GLU A 108 14.572 -18.021 -6.014 1.00 0.00 C ATOM 1570 CG GLU A 108 14.886 -19.240 -6.867 1.00 0.00 C ATOM 1571 CD GLU A 108 16.241 -19.153 -7.534 1.00 0.00 C ATOM 1572 OE1 GLU A 108 16.484 -18.173 -8.270 1.00 0.00 O ATOM 1573 OE2 GLU A 108 17.070 -20.059 -7.327 1.00 0.00 O ATOM 0 H GLU A 108 14.265 -16.171 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 108 14.490 -18.969 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.498 -17.841 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.055 -17.151 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 108 14.849 -20.134 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.116 -19.352 -7.631 1.00 0.00 H new ATOM 1580 N HIS A 109 17.328 -17.528 -4.986 1.00 0.00 N ATOM 1581 CA HIS A 109 18.770 -17.621 -4.795 1.00 0.00 C ATOM 1582 C HIS A 109 19.134 -17.028 -3.445 1.00 0.00 C ATOM 1583 O HIS A 109 19.190 -15.810 -3.285 1.00 0.00 O ATOM 1584 CB HIS A 109 19.538 -16.913 -5.916 1.00 0.00 C ATOM 1585 CG HIS A 109 19.694 -17.735 -7.161 1.00 0.00 C ATOM 1586 ND1 HIS A 109 19.541 -17.218 -8.429 1.00 0.00 N ATOM 1587 CD2 HIS A 109 20.026 -19.039 -7.329 1.00 0.00 C ATOM 1588 CE1 HIS A 109 19.770 -18.164 -9.319 1.00 0.00 C ATOM 1589 NE2 HIS A 109 20.068 -19.276 -8.680 1.00 0.00 N ATOM 0 H HIS A 109 17.026 -16.757 -5.582 1.00 0.00 H new ATOM 0 HA HIS A 109 19.055 -18.673 -4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.022 -15.986 -6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.526 -16.638 -5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.221 -19.757 -6.546 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.721 -18.046 -10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.294 -20.169 -9.118 1.00 0.00 H new ATOM 1598 N HIS A 110 19.365 -17.899 -2.476 1.00 0.00 N ATOM 1599 CA HIS A 110 19.573 -17.482 -1.095 1.00 0.00 C ATOM 1600 C HIS A 110 20.848 -16.665 -0.962 1.00 0.00 C ATOM 1601 O HIS A 110 21.903 -17.051 -1.465 1.00 0.00 O ATOM 1602 CB HIS A 110 19.642 -18.700 -0.169 1.00 0.00 C ATOM 1603 CG HIS A 110 18.462 -19.613 -0.289 1.00 0.00 C ATOM 1604 ND1 HIS A 110 18.454 -20.712 -1.117 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.253 -19.594 0.317 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.295 -21.328 -1.019 1.00 0.00 C ATOM 1607 NE2 HIS A 110 16.547 -20.671 -0.156 1.00 0.00 N ATOM 0 H HIS A 110 19.414 -18.908 -2.620 1.00 0.00 H new ATOM 0 HA HIS A 110 18.726 -16.861 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.549 -19.262 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.722 -18.357 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.908 -18.867 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.006 -22.220 -1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.597 -20.922 0.116 1.00 0.00 H new ATOM 1616 N HIS A 111 20.740 -15.528 -0.295 1.00 0.00 N ATOM 1617 CA HIS A 111 21.888 -14.669 -0.059 1.00 0.00 C ATOM 1618 C HIS A 111 22.086 -14.481 1.436 1.00 0.00 C ATOM 1619 O HIS A 111 21.119 -14.304 2.179 1.00 0.00 O ATOM 1620 CB HIS A 111 21.711 -13.309 -0.747 1.00 0.00 C ATOM 1621 CG HIS A 111 21.617 -13.398 -2.241 1.00 0.00 C ATOM 1622 ND1 HIS A 111 20.686 -12.703 -2.985 1.00 0.00 N ATOM 1623 CD2 HIS A 111 22.344 -14.115 -3.133 1.00 0.00 C ATOM 1624 CE1 HIS A 111 20.842 -12.991 -4.262 1.00 0.00 C ATOM 1625 NE2 HIS A 111 21.840 -13.844 -4.380 1.00 0.00 N ATOM 0 H HIS A 111 19.865 -15.177 0.094 1.00 0.00 H new ATOM 0 HA HIS A 111 22.771 -15.146 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.810 -12.832 -0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 111 22.550 -12.666 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 111 23.167 -14.776 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 111 20.251 -12.595 -5.075 1.00 0.00 H new ATOM 0 HE2 HIS A 111 22.182 -14.239 -5.256 1.00 0.00 H new ATOM 1634 N HIS A 112 23.330 -14.552 1.874 1.00 0.00 N ATOM 1635 CA HIS A 112 23.650 -14.412 3.285 1.00 0.00 C ATOM 1636 C HIS A 112 24.449 -13.145 3.531 1.00 0.00 C ATOM 1637 O HIS A 112 25.277 -12.752 2.711 1.00 0.00 O ATOM 1638 CB HIS A 112 24.436 -15.626 3.783 1.00 0.00 C ATOM 1639 CG HIS A 112 23.601 -16.858 3.939 1.00 0.00 C ATOM 1640 ND1 HIS A 112 23.391 -17.763 2.924 1.00 0.00 N ATOM 1641 CD2 HIS A 112 22.924 -17.335 5.008 1.00 0.00 C ATOM 1642 CE1 HIS A 112 22.622 -18.741 3.360 1.00 0.00 C ATOM 1643 NE2 HIS A 112 22.324 -18.507 4.623 1.00 0.00 N ATOM 0 H HIS A 112 24.138 -14.706 1.271 1.00 0.00 H new ATOM 0 HA HIS A 112 22.712 -14.349 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 112 25.248 -15.833 3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 112 24.894 -15.384 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 112 22.866 -16.878 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 112 22.292 -19.590 2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 112 21.743 -19.100 5.216 1.00 0.00 H new ATOM 1652 N HIS A 113 24.196 -12.510 4.660 1.00 0.00 N ATOM 1653 CA HIS A 113 24.929 -11.312 5.036 1.00 0.00 C ATOM 1654 C HIS A 113 26.073 -11.681 5.966 1.00 0.00 C ATOM 1655 O HIS A 113 25.872 -11.906 7.163 1.00 0.00 O ATOM 1656 CB HIS A 113 24.007 -10.287 5.704 1.00 0.00 C ATOM 1657 CG HIS A 113 23.100 -9.566 4.747 1.00 0.00 C ATOM 1658 ND1 HIS A 113 23.074 -8.195 4.628 1.00 0.00 N ATOM 1659 CD2 HIS A 113 22.174 -10.032 3.876 1.00 0.00 C ATOM 1660 CE1 HIS A 113 22.173 -7.847 3.729 1.00 0.00 C ATOM 1661 NE2 HIS A 113 21.612 -8.944 3.256 1.00 0.00 N ATOM 0 H HIS A 113 23.489 -12.803 5.334 1.00 0.00 H new ATOM 0 HA HIS A 113 25.334 -10.857 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 113 23.399 -10.794 6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 113 24.617 -9.554 6.232 1.00 0.00 H new ATOM 0 HD2 HIS A 113 21.924 -11.068 3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 113 21.935 -6.837 3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 113 20.881 -8.978 2.546 1.00 0.00 H new ATOM 1670 N HIS A 114 27.266 -11.774 5.405 1.00 0.00 N ATOM 1671 CA HIS A 114 28.444 -12.141 6.171 1.00 0.00 C ATOM 1672 C HIS A 114 29.213 -10.886 6.561 1.00 0.00 C ATOM 1673 O HIS A 114 28.900 -10.301 7.614 1.00 0.00 O ATOM 1674 CB HIS A 114 29.332 -13.083 5.351 1.00 0.00 C ATOM 1675 CG HIS A 114 30.485 -13.661 6.117 1.00 0.00 C ATOM 1676 ND1 HIS A 114 30.454 -14.914 6.682 1.00 0.00 N ATOM 1677 CD2 HIS A 114 31.709 -13.155 6.401 1.00 0.00 C ATOM 1678 CE1 HIS A 114 31.603 -15.156 7.281 1.00 0.00 C ATOM 1679 NE2 HIS A 114 32.383 -14.106 7.125 1.00 0.00 N ATOM 1680 OXT HIS A 114 30.109 -10.480 5.799 1.00 0.00 O ATOM 0 H HIS A 114 27.445 -11.599 4.416 1.00 0.00 H new ATOM 0 HA HIS A 114 28.136 -12.661 7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 114 28.720 -13.899 4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 114 29.719 -12.541 4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 114 32.084 -12.184 6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 114 31.861 -16.062 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 114 33.333 -14.015 7.484 1.00 0.00 H new TER 1689 HIS A 114