USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 759 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 94 ASN : amide:sc= -0.062 K(o=0.13,f=-0.41) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= -0.342 USER MOD Set 1.3: A 97 ASN : amide:sc= 0.535 K(o=0.13,f=-3.1) USER MOD Set 2.1: A 83 ASN : amide:sc= 0.405 K(o=0.88,f=0.19) USER MOD Set 2.2: A 99 THR OG1 : rot -77:sc= 0.474 USER MOD Set 3.1: A 39 ASN : amide:sc= 0.22 K(o=1.4,f=-5.1!) USER MOD Set 3.2: A 53 THR OG1 : rot -16:sc= 1.17 USER MOD Single : A 9 SER OG : rot 180:sc= -0.113 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 21 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -136:sc= -0.271 (180deg=-3.62!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.29 K(o=1.3,f=-5.6!) USER MOD Single : A 30 GLN : amide:sc= 0.968 K(o=0.97,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= 0.0522 X(o=0.052,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0542 (180deg=-0.366) USER MOD Single : A 35 SER OG : rot -24:sc= -0.627 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.21 K(o=0.21,f=-5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 29:sc= 1.17 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.332 K(o=0.33,f=-2.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -20:sc= -3.36! USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0134 F(o=-1.3!,f=-0.013) USER MOD Single : A 68 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 74 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 76 ASN : amide:sc=-0.00334 K(o=-0.0033,f=-0.97) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -124:sc= 1.72 USER MOD Single : A 79 THR OG1 : rot 105:sc= 1.12 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.159 F(o=-1.8!,f=-0.16) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.145! X(o=-0.15!,f=-0.36) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0033 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -13.013 12.484 -7.764 1.00 0.00 N ATOM 21 CA ILE A 2 -12.817 11.692 -6.564 1.00 0.00 C ATOM 22 C ILE A 2 -11.511 10.903 -6.679 1.00 0.00 C ATOM 23 O ILE A 2 -11.164 10.421 -7.760 1.00 0.00 O ATOM 24 CB ILE A 2 -14.018 10.735 -6.325 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.051 10.261 -4.870 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.968 9.536 -7.266 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.266 9.425 -4.532 1.00 0.00 C ATOM 0 HA ILE A 2 -12.755 12.363 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.930 11.294 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.152 9.679 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.024 11.130 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.822 8.886 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.002 9.882 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.045 8.981 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.221 9.125 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.169 10.010 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.284 8.537 -5.164 1.00 0.00 H new ATOM 39 N PRO A 3 -10.734 10.820 -5.589 1.00 0.00 N ATOM 40 CA PRO A 3 -9.511 10.020 -5.558 1.00 0.00 C ATOM 41 C PRO A 3 -9.812 8.526 -5.636 1.00 0.00 C ATOM 42 O PRO A 3 -10.873 8.070 -5.208 1.00 0.00 O ATOM 43 CB PRO A 3 -8.871 10.365 -4.206 1.00 0.00 C ATOM 44 CG PRO A 3 -9.589 11.583 -3.725 1.00 0.00 C ATOM 45 CD PRO A 3 -10.965 11.509 -4.317 1.00 0.00 C ATOM 0 HA PRO A 3 -8.863 10.237 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.978 9.542 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.803 10.556 -4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.633 11.606 -2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.075 12.490 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.652 10.956 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.395 12.499 -4.466 1.00 0.00 H new ATOM 53 N ASP A 4 -8.877 7.773 -6.185 1.00 0.00 N ATOM 54 CA ASP A 4 -9.028 6.331 -6.314 1.00 0.00 C ATOM 55 C ASP A 4 -7.682 5.676 -6.042 1.00 0.00 C ATOM 56 O ASP A 4 -6.861 5.524 -6.946 1.00 0.00 O ATOM 57 CB ASP A 4 -9.543 5.975 -7.715 1.00 0.00 C ATOM 58 CG ASP A 4 -10.077 4.557 -7.821 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.292 3.642 -8.129 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.299 4.361 -7.633 1.00 0.00 O ATOM 0 H ASP A 4 -7.998 8.137 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.758 5.964 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.332 6.674 -7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.735 6.105 -8.435 1.00 0.00 H new ATOM 65 N LEU A 5 -7.442 5.343 -4.782 1.00 0.00 N ATOM 66 CA LEU A 5 -6.131 4.880 -4.345 1.00 0.00 C ATOM 67 C LEU A 5 -5.974 3.383 -4.576 1.00 0.00 C ATOM 68 O LEU A 5 -6.594 2.570 -3.894 1.00 0.00 O ATOM 69 CB LEU A 5 -5.928 5.218 -2.865 1.00 0.00 C ATOM 70 CG LEU A 5 -6.161 6.688 -2.497 1.00 0.00 C ATOM 71 CD1 LEU A 5 -5.942 6.915 -1.009 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.249 7.593 -3.307 1.00 0.00 C ATOM 0 H LEU A 5 -8.141 5.385 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.370 5.390 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.601 4.600 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.911 4.945 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.196 6.935 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.113 7.965 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.637 6.297 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.919 6.646 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.429 8.632 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.209 7.339 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.453 7.459 -4.369 1.00 0.00 H new ATOM 84 N VAL A 6 -5.140 3.031 -5.545 1.00 0.00 N ATOM 85 CA VAL A 6 -4.954 1.639 -5.929 1.00 0.00 C ATOM 86 C VAL A 6 -3.518 1.188 -5.689 1.00 0.00 C ATOM 87 O VAL A 6 -2.575 1.794 -6.203 1.00 0.00 O ATOM 88 CB VAL A 6 -5.280 1.425 -7.425 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.312 -0.058 -7.767 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.591 2.095 -7.798 1.00 0.00 C ATOM 0 H VAL A 6 -4.580 3.693 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.634 1.051 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.487 1.890 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.543 -0.183 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.340 -0.502 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.076 -0.553 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.796 1.929 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.399 1.672 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.520 3.166 -7.606 1.00 0.00 H new ATOM 100 N PRO A 7 -3.324 0.129 -4.895 1.00 0.00 N ATOM 101 CA PRO A 7 -2.029 -0.512 -4.748 1.00 0.00 C ATOM 102 C PRO A 7 -1.762 -1.427 -5.937 1.00 0.00 C ATOM 103 O PRO A 7 -2.308 -2.525 -6.021 1.00 0.00 O ATOM 104 CB PRO A 7 -2.154 -1.325 -3.450 1.00 0.00 C ATOM 105 CG PRO A 7 -3.539 -1.081 -2.932 1.00 0.00 C ATOM 106 CD PRO A 7 -4.341 -0.529 -4.077 1.00 0.00 C ATOM 0 HA PRO A 7 -1.204 0.200 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.991 -2.386 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.406 -1.012 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.981 -2.006 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.522 -0.379 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.856 -1.317 -4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.103 0.172 -3.737 1.00 0.00 H new ATOM 114 N VAL A 8 -0.948 -0.961 -6.870 1.00 0.00 N ATOM 115 CA VAL A 8 -0.756 -1.671 -8.128 1.00 0.00 C ATOM 116 C VAL A 8 0.284 -2.783 -8.012 1.00 0.00 C ATOM 117 O VAL A 8 0.215 -3.779 -8.734 1.00 0.00 O ATOM 118 CB VAL A 8 -0.358 -0.708 -9.273 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.491 0.262 -9.570 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.918 0.049 -8.932 1.00 0.00 C ATOM 0 H VAL A 8 -0.411 -0.098 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.718 -2.125 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.168 -1.304 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.194 0.932 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.379 -0.296 -9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.713 0.846 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.175 0.718 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.764 0.632 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.731 -0.660 -8.774 1.00 0.00 H new ATOM 130 N SER A 9 1.235 -2.623 -7.098 1.00 0.00 N ATOM 131 CA SER A 9 2.324 -3.580 -6.959 1.00 0.00 C ATOM 132 C SER A 9 3.203 -3.222 -5.765 1.00 0.00 C ATOM 133 O SER A 9 3.100 -2.125 -5.216 1.00 0.00 O ATOM 134 CB SER A 9 3.164 -3.599 -8.245 1.00 0.00 C ATOM 135 OG SER A 9 4.227 -4.533 -8.168 1.00 0.00 O ATOM 0 H SER A 9 1.273 -1.841 -6.444 1.00 0.00 H new ATOM 0 HA SER A 9 1.901 -4.570 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.525 -3.846 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.568 -2.604 -8.430 1.00 0.00 H new ATOM 0 HG SER A 9 4.737 -4.518 -9.005 1.00 0.00 H new ATOM 141 N LEU A 10 4.047 -4.160 -5.359 1.00 0.00 N ATOM 142 CA LEU A 10 5.055 -3.906 -4.343 1.00 0.00 C ATOM 143 C LEU A 10 6.297 -4.733 -4.658 1.00 0.00 C ATOM 144 O LEU A 10 6.202 -5.783 -5.293 1.00 0.00 O ATOM 145 CB LEU A 10 4.514 -4.210 -2.927 1.00 0.00 C ATOM 146 CG LEU A 10 4.335 -5.690 -2.542 1.00 0.00 C ATOM 147 CD1 LEU A 10 5.659 -6.300 -2.112 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.319 -5.831 -1.419 1.00 0.00 C ATOM 0 H LEU A 10 4.052 -5.113 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 10 5.320 -2.849 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.188 -3.752 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.549 -3.715 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 10 3.971 -6.222 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.508 -7.346 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.373 -6.235 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.047 -5.757 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.206 -6.884 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.663 -5.278 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.358 -5.432 -1.745 1.00 0.00 H new ATOM 160 N THR A 11 7.454 -4.252 -4.235 1.00 0.00 N ATOM 161 CA THR A 11 8.697 -4.982 -4.425 1.00 0.00 C ATOM 162 C THR A 11 9.466 -5.079 -3.111 1.00 0.00 C ATOM 163 O THR A 11 9.424 -4.159 -2.293 1.00 0.00 O ATOM 164 CB THR A 11 9.588 -4.319 -5.497 1.00 0.00 C ATOM 165 OG1 THR A 11 9.715 -2.915 -5.234 1.00 0.00 O ATOM 166 CG2 THR A 11 9.014 -4.529 -6.891 1.00 0.00 C ATOM 0 H THR A 11 7.559 -3.357 -3.757 1.00 0.00 H new ATOM 0 HA THR A 11 8.436 -5.983 -4.768 1.00 0.00 H new ATOM 0 HB THR A 11 10.572 -4.787 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.283 -2.504 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.661 -4.052 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.951 -5.597 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.018 -4.089 -6.944 1.00 0.00 H new ATOM 174 N PRO A 12 10.159 -6.202 -2.877 1.00 0.00 N ATOM 175 CA PRO A 12 10.165 -7.342 -3.785 1.00 0.00 C ATOM 176 C PRO A 12 9.061 -8.350 -3.461 1.00 0.00 C ATOM 177 O PRO A 12 8.500 -8.342 -2.369 1.00 0.00 O ATOM 178 CB PRO A 12 11.540 -7.950 -3.524 1.00 0.00 C ATOM 179 CG PRO A 12 11.811 -7.675 -2.078 1.00 0.00 C ATOM 180 CD PRO A 12 11.014 -6.442 -1.703 1.00 0.00 C ATOM 0 HA PRO A 12 9.984 -7.058 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.545 -9.020 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.300 -7.498 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.518 -8.525 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.875 -7.512 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.421 -6.608 -0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.665 -5.591 -1.502 1.00 0.00 H new ATOM 188 N VAL A 13 8.756 -9.219 -4.415 1.00 0.00 N ATOM 189 CA VAL A 13 7.759 -10.264 -4.203 1.00 0.00 C ATOM 190 C VAL A 13 8.425 -11.539 -3.692 1.00 0.00 C ATOM 191 O VAL A 13 7.810 -12.602 -3.615 1.00 0.00 O ATOM 192 CB VAL A 13 6.969 -10.574 -5.494 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.180 -9.355 -5.945 1.00 0.00 C ATOM 194 CG2 VAL A 13 7.901 -11.050 -6.601 1.00 0.00 C ATOM 0 H VAL A 13 9.182 -9.223 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 13 7.056 -9.894 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 13 6.265 -11.377 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.631 -9.594 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.478 -9.066 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.865 -8.530 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.321 -11.262 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.635 -10.274 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.415 -11.956 -6.279 1.00 0.00 H new ATOM 204 N THR A 14 9.695 -11.418 -3.348 1.00 0.00 N ATOM 205 CA THR A 14 10.464 -12.523 -2.808 1.00 0.00 C ATOM 206 C THR A 14 11.398 -11.985 -1.724 1.00 0.00 C ATOM 207 O THR A 14 12.201 -11.092 -1.990 1.00 0.00 O ATOM 208 CB THR A 14 11.280 -13.214 -3.919 1.00 0.00 C ATOM 209 OG1 THR A 14 10.666 -12.973 -5.194 1.00 0.00 O ATOM 210 CG2 THR A 14 11.359 -14.712 -3.687 1.00 0.00 C ATOM 0 H THR A 14 10.222 -10.549 -3.436 1.00 0.00 H new ATOM 0 HA THR A 14 9.786 -13.263 -2.382 1.00 0.00 H new ATOM 0 HB THR A 14 12.288 -12.801 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.189 -13.412 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.940 -15.174 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.840 -14.907 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.353 -15.133 -3.680 1.00 0.00 H new ATOM 218 N VAL A 15 11.286 -12.507 -0.508 1.00 0.00 N ATOM 219 CA VAL A 15 11.944 -11.888 0.641 1.00 0.00 C ATOM 220 C VAL A 15 12.919 -12.830 1.340 1.00 0.00 C ATOM 221 O VAL A 15 12.838 -14.049 1.198 1.00 0.00 O ATOM 222 CB VAL A 15 10.907 -11.394 1.667 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.097 -10.239 1.096 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.993 -12.534 2.091 1.00 0.00 C ATOM 0 H VAL A 15 10.752 -13.349 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 15 12.511 -11.045 0.245 1.00 0.00 H new ATOM 0 HB VAL A 15 11.438 -11.034 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.370 -9.904 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.765 -9.415 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.575 -10.570 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.266 -12.167 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.469 -12.924 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.587 -13.328 2.543 1.00 0.00 H new ATOM 234 N VAL A 16 13.832 -12.247 2.108 1.00 0.00 N ATOM 235 CA VAL A 16 14.811 -13.014 2.865 1.00 0.00 C ATOM 236 C VAL A 16 14.280 -13.301 4.269 1.00 0.00 C ATOM 237 O VAL A 16 14.018 -12.376 5.036 1.00 0.00 O ATOM 238 CB VAL A 16 16.154 -12.259 2.977 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.196 -13.108 3.692 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.652 -11.842 1.602 1.00 0.00 C ATOM 0 H VAL A 16 13.914 -11.237 2.222 1.00 0.00 H new ATOM 0 HA VAL A 16 14.981 -13.950 2.332 1.00 0.00 H new ATOM 0 HB VAL A 16 15.988 -11.359 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.133 -12.555 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.844 -13.347 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.358 -14.031 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.599 -11.312 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.796 -12.728 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.918 -11.187 1.132 1.00 0.00 H new ATOM 250 N PRO A 17 14.116 -14.584 4.631 1.00 0.00 N ATOM 251 CA PRO A 17 13.553 -14.981 5.924 1.00 0.00 C ATOM 252 C PRO A 17 14.547 -14.867 7.082 1.00 0.00 C ATOM 253 O PRO A 17 14.315 -15.416 8.158 1.00 0.00 O ATOM 254 CB PRO A 17 13.158 -16.454 5.719 1.00 0.00 C ATOM 255 CG PRO A 17 13.448 -16.772 4.286 1.00 0.00 C ATOM 256 CD PRO A 17 14.444 -15.755 3.813 1.00 0.00 C ATOM 0 HA PRO A 17 12.725 -14.329 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.726 -17.105 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.103 -16.609 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.848 -17.781 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.538 -16.730 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.470 -16.087 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.338 -15.548 2.748 1.00 0.00 H new ATOM 264 N ASN A 18 15.638 -14.142 6.876 1.00 0.00 N ATOM 265 CA ASN A 18 16.689 -14.061 7.886 1.00 0.00 C ATOM 266 C ASN A 18 16.957 -12.621 8.303 1.00 0.00 C ATOM 267 O ASN A 18 17.981 -12.330 8.918 1.00 0.00 O ATOM 268 CB ASN A 18 17.984 -14.699 7.371 1.00 0.00 C ATOM 269 CG ASN A 18 17.829 -16.178 7.080 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.973 -17.015 7.969 1.00 0.00 O ATOM 271 ND2 ASN A 18 17.555 -16.511 5.827 1.00 0.00 N ATOM 0 H ASN A 18 15.820 -13.605 6.028 1.00 0.00 H new ATOM 0 HA ASN A 18 16.340 -14.610 8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.302 -14.185 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.773 -14.559 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.456 -17.493 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.443 -15.785 5.119 1.00 0.00 H new ATOM 278 N THR A 19 16.035 -11.724 7.982 1.00 0.00 N ATOM 279 CA THR A 19 16.195 -10.319 8.326 1.00 0.00 C ATOM 280 C THR A 19 14.894 -9.557 8.074 1.00 0.00 C ATOM 281 O THR A 19 13.899 -10.143 7.635 1.00 0.00 O ATOM 282 CB THR A 19 17.356 -9.675 7.519 1.00 0.00 C ATOM 283 OG1 THR A 19 17.653 -8.364 8.019 1.00 0.00 O ATOM 284 CG2 THR A 19 17.014 -9.591 6.036 1.00 0.00 C ATOM 0 H THR A 19 15.171 -11.944 7.486 1.00 0.00 H new ATOM 0 HA THR A 19 16.441 -10.259 9.386 1.00 0.00 H new ATOM 0 HB THR A 19 18.233 -10.311 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.388 -7.975 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.845 -9.136 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.834 -10.593 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.119 -8.984 5.903 1.00 0.00 H new ATOM 292 N VAL A 20 14.899 -8.264 8.373 1.00 0.00 N ATOM 293 CA VAL A 20 13.755 -7.411 8.101 1.00 0.00 C ATOM 294 C VAL A 20 13.826 -6.914 6.666 1.00 0.00 C ATOM 295 O VAL A 20 14.832 -6.344 6.241 1.00 0.00 O ATOM 296 CB VAL A 20 13.689 -6.204 9.062 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.433 -5.384 8.809 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.741 -6.666 10.507 1.00 0.00 C ATOM 0 H VAL A 20 15.688 -7.784 8.806 1.00 0.00 H new ATOM 0 HA VAL A 20 12.854 -8.005 8.254 1.00 0.00 H new ATOM 0 HB VAL A 20 14.556 -5.571 8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.406 -4.539 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.439 -5.017 7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.553 -6.008 8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.693 -5.800 11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.896 -7.324 10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.671 -7.206 10.683 1.00 0.00 H new ATOM 308 N ASN A 21 12.766 -7.147 5.917 1.00 0.00 N ATOM 309 CA ASN A 21 12.745 -6.802 4.508 1.00 0.00 C ATOM 310 C ASN A 21 12.059 -5.467 4.294 1.00 0.00 C ATOM 311 O ASN A 21 10.925 -5.259 4.730 1.00 0.00 O ATOM 312 CB ASN A 21 12.046 -7.896 3.701 1.00 0.00 C ATOM 313 CG ASN A 21 12.818 -9.201 3.712 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.608 -9.482 2.809 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.608 -10.002 4.744 1.00 0.00 N ATOM 0 H ASN A 21 11.906 -7.575 6.261 1.00 0.00 H new ATOM 0 HA ASN A 21 13.775 -6.718 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.048 -8.063 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.919 -7.560 2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.109 -10.888 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.945 -9.733 5.472 1.00 0.00 H new ATOM 322 N THR A 22 12.771 -4.556 3.653 1.00 0.00 N ATOM 323 CA THR A 22 12.218 -3.268 3.292 1.00 0.00 C ATOM 324 C THR A 22 11.393 -3.407 2.019 1.00 0.00 C ATOM 325 O THR A 22 11.939 -3.575 0.929 1.00 0.00 O ATOM 326 CB THR A 22 13.338 -2.233 3.077 1.00 0.00 C ATOM 327 OG1 THR A 22 14.226 -2.244 4.205 1.00 0.00 O ATOM 328 CG2 THR A 22 12.765 -0.837 2.893 1.00 0.00 C ATOM 0 H THR A 22 13.742 -4.690 3.371 1.00 0.00 H new ATOM 0 HA THR A 22 11.581 -2.921 4.106 1.00 0.00 H new ATOM 0 HB THR A 22 13.884 -2.501 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.939 -1.586 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.578 -0.127 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.108 -0.825 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.197 -0.557 3.780 1.00 0.00 H new ATOM 336 N MET A 23 10.079 -3.376 2.164 1.00 0.00 N ATOM 337 CA MET A 23 9.197 -3.575 1.031 1.00 0.00 C ATOM 338 C MET A 23 8.634 -2.249 0.562 1.00 0.00 C ATOM 339 O MET A 23 8.236 -1.411 1.371 1.00 0.00 O ATOM 340 CB MET A 23 8.066 -4.534 1.396 1.00 0.00 C ATOM 341 CG MET A 23 8.556 -5.787 2.097 1.00 0.00 C ATOM 342 SD MET A 23 7.305 -7.070 2.200 1.00 0.00 S ATOM 343 CE MET A 23 7.327 -7.678 0.517 1.00 0.00 C ATOM 0 H MET A 23 9.603 -3.216 3.052 1.00 0.00 H new ATOM 0 HA MET A 23 9.773 -4.015 0.217 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.354 -4.019 2.040 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.530 -4.817 0.490 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.425 -6.177 1.567 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.886 -5.528 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.304 -7.817 0.167 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.835 -6.957 -0.124 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.856 -8.630 0.481 1.00 0.00 H new ATOM 353 N THR A 24 8.612 -2.061 -0.742 1.00 0.00 N ATOM 354 CA THR A 24 8.145 -0.824 -1.325 1.00 0.00 C ATOM 355 C THR A 24 6.881 -1.055 -2.151 1.00 0.00 C ATOM 356 O THR A 24 6.940 -1.596 -3.258 1.00 0.00 O ATOM 357 CB THR A 24 9.240 -0.204 -2.213 1.00 0.00 C ATOM 358 OG1 THR A 24 10.477 -0.147 -1.489 1.00 0.00 O ATOM 359 CG2 THR A 24 8.854 1.194 -2.667 1.00 0.00 C ATOM 0 H THR A 24 8.916 -2.758 -1.422 1.00 0.00 H new ATOM 0 HA THR A 24 7.910 -0.136 -0.513 1.00 0.00 H new ATOM 0 HB THR A 24 9.356 -0.833 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.171 0.246 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.647 1.605 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.928 1.148 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.711 1.833 -1.796 1.00 0.00 H new ATOM 367 N ALA A 25 5.738 -0.672 -1.596 1.00 0.00 N ATOM 368 CA ALA A 25 4.473 -0.784 -2.303 1.00 0.00 C ATOM 369 C ALA A 25 4.200 0.479 -3.105 1.00 0.00 C ATOM 370 O ALA A 25 4.496 1.586 -2.657 1.00 0.00 O ATOM 371 CB ALA A 25 3.338 -1.044 -1.323 1.00 0.00 C ATOM 0 H ALA A 25 5.663 -0.281 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 25 4.536 -1.626 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.398 -1.125 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.527 -1.973 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.275 -0.220 -0.612 1.00 0.00 H new ATOM 377 N THR A 26 3.654 0.312 -4.295 1.00 0.00 N ATOM 378 CA THR A 26 3.342 1.438 -5.152 1.00 0.00 C ATOM 379 C THR A 26 1.842 1.710 -5.146 1.00 0.00 C ATOM 380 O THR A 26 1.050 0.925 -5.675 1.00 0.00 O ATOM 381 CB THR A 26 3.818 1.183 -6.593 1.00 0.00 C ATOM 382 OG1 THR A 26 5.182 0.736 -6.577 1.00 0.00 O ATOM 383 CG2 THR A 26 3.705 2.446 -7.433 1.00 0.00 C ATOM 0 H THR A 26 3.417 -0.598 -4.691 1.00 0.00 H new ATOM 0 HA THR A 26 3.866 2.311 -4.763 1.00 0.00 H new ATOM 0 HB THR A 26 3.183 0.416 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.483 0.572 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.047 2.240 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.666 2.773 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.321 3.231 -6.994 1.00 0.00 H new ATOM 391 N ILE A 27 1.460 2.811 -4.518 1.00 0.00 N ATOM 392 CA ILE A 27 0.063 3.204 -4.448 1.00 0.00 C ATOM 393 C ILE A 27 -0.199 4.310 -5.459 1.00 0.00 C ATOM 394 O ILE A 27 0.402 5.379 -5.381 1.00 0.00 O ATOM 395 CB ILE A 27 -0.319 3.707 -3.037 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.283 2.802 -1.952 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.834 3.782 -2.892 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.123 1.346 -2.049 1.00 0.00 C ATOM 0 H ILE A 27 2.101 3.450 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.545 2.327 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 27 0.092 4.708 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.370 2.867 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.012 3.183 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.087 4.138 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.237 4.470 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.264 2.792 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.348 0.782 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.207 1.264 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.196 0.942 -3.010 1.00 0.00 H new ATOM 410 N GLU A 28 -1.072 4.050 -6.412 1.00 0.00 N ATOM 411 CA GLU A 28 -1.354 5.011 -7.462 1.00 0.00 C ATOM 412 C GLU A 28 -2.755 5.582 -7.306 1.00 0.00 C ATOM 413 O GLU A 28 -3.719 4.841 -7.116 1.00 0.00 O ATOM 414 CB GLU A 28 -1.200 4.353 -8.834 1.00 0.00 C ATOM 415 CG GLU A 28 -1.383 5.314 -9.996 1.00 0.00 C ATOM 416 CD GLU A 28 -1.179 4.647 -11.336 1.00 0.00 C ATOM 417 OE1 GLU A 28 -0.021 4.574 -11.796 1.00 0.00 O ATOM 418 OE2 GLU A 28 -2.171 4.191 -11.938 1.00 0.00 O ATOM 0 H GLU A 28 -1.600 3.180 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.639 5.830 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.211 3.900 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.927 3.546 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.385 5.742 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.679 6.140 -9.894 1.00 0.00 H new ATOM 425 N ASN A 29 -2.860 6.899 -7.373 1.00 0.00 N ATOM 426 CA ASN A 29 -4.150 7.568 -7.293 1.00 0.00 C ATOM 427 C ASN A 29 -4.748 7.708 -8.687 1.00 0.00 C ATOM 428 O ASN A 29 -4.389 8.610 -9.444 1.00 0.00 O ATOM 429 CB ASN A 29 -4.000 8.938 -6.624 1.00 0.00 C ATOM 430 CG ASN A 29 -5.300 9.719 -6.556 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.392 9.147 -6.542 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.184 11.035 -6.491 1.00 0.00 N ATOM 0 H ASN A 29 -2.065 7.529 -7.483 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.825 6.967 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.613 8.801 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.261 9.523 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.018 11.618 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.260 11.467 -6.506 1.00 0.00 H new ATOM 439 N GLN A 30 -5.655 6.800 -9.019 1.00 0.00 N ATOM 440 CA GLN A 30 -6.229 6.727 -10.355 1.00 0.00 C ATOM 441 C GLN A 30 -7.536 7.508 -10.431 1.00 0.00 C ATOM 442 O GLN A 30 -8.491 7.094 -11.091 1.00 0.00 O ATOM 443 CB GLN A 30 -6.456 5.265 -10.745 1.00 0.00 C ATOM 444 CG GLN A 30 -5.193 4.424 -10.658 1.00 0.00 C ATOM 445 CD GLN A 30 -5.364 3.022 -11.211 1.00 0.00 C ATOM 446 OE1 GLN A 30 -6.451 2.444 -11.172 1.00 0.00 O ATOM 447 NE2 GLN A 30 -4.286 2.467 -11.738 1.00 0.00 N ATOM 0 H GLN A 30 -6.012 6.096 -8.373 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.528 7.178 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.218 4.835 -10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.845 5.222 -11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.393 4.926 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.879 4.360 -9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.404 2.979 -11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.337 1.527 -12.131 1.00 0.00 H new ATOM 456 N GLY A 31 -7.549 8.661 -9.787 1.00 0.00 N ATOM 457 CA GLY A 31 -8.715 9.512 -9.791 1.00 0.00 C ATOM 458 C GLY A 31 -8.312 10.966 -9.819 1.00 0.00 C ATOM 459 O GLY A 31 -7.272 11.333 -9.266 1.00 0.00 O ATOM 0 H GLY A 31 -6.760 9.027 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.335 9.284 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.320 9.314 -8.906 1.00 0.00 H new ATOM 463 N ASN A 32 -9.118 11.797 -10.464 1.00 0.00 N ATOM 464 CA ASN A 32 -8.747 13.188 -10.688 1.00 0.00 C ATOM 465 C ASN A 32 -9.095 14.052 -9.480 1.00 0.00 C ATOM 466 O ASN A 32 -9.920 14.967 -9.561 1.00 0.00 O ATOM 467 CB ASN A 32 -9.417 13.732 -11.954 1.00 0.00 C ATOM 468 CG ASN A 32 -8.741 14.989 -12.474 1.00 0.00 C ATOM 469 OD1 ASN A 32 -7.802 14.917 -13.271 1.00 0.00 O ATOM 470 ND2 ASN A 32 -9.209 16.146 -12.037 1.00 0.00 N ATOM 0 H ASN A 32 -10.029 11.535 -10.840 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.667 13.227 -10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.398 12.966 -12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.465 13.947 -11.743 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.792 17.019 -12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.987 16.165 -11.378 1.00 0.00 H new ATOM 477 N LYS A 33 -8.497 13.714 -8.351 1.00 0.00 N ATOM 478 CA LYS A 33 -8.549 14.537 -7.161 1.00 0.00 C ATOM 479 C LYS A 33 -7.425 14.126 -6.225 1.00 0.00 C ATOM 480 O LYS A 33 -7.155 12.937 -6.054 1.00 0.00 O ATOM 481 CB LYS A 33 -9.897 14.417 -6.452 1.00 0.00 C ATOM 482 CG LYS A 33 -10.007 15.334 -5.248 1.00 0.00 C ATOM 483 CD LYS A 33 -11.381 15.275 -4.616 1.00 0.00 C ATOM 484 CE LYS A 33 -11.461 16.190 -3.407 1.00 0.00 C ATOM 485 NZ LYS A 33 -11.168 17.605 -3.762 1.00 0.00 N ATOM 0 H LYS A 33 -7.959 12.855 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.428 15.580 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.696 14.651 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.045 13.385 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.256 15.055 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.791 16.358 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.135 15.566 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.605 14.251 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.456 16.125 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.755 15.852 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.475 18.228 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.146 17.720 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.679 17.857 -4.632 1.00 0.00 H new ATOM 499 N ASP A 34 -6.763 15.108 -5.638 1.00 0.00 N ATOM 500 CA ASP A 34 -5.619 14.849 -4.779 1.00 0.00 C ATOM 501 C ASP A 34 -6.084 14.339 -3.422 1.00 0.00 C ATOM 502 O ASP A 34 -6.998 14.902 -2.817 1.00 0.00 O ATOM 503 CB ASP A 34 -4.781 16.118 -4.618 1.00 0.00 C ATOM 504 CG ASP A 34 -4.464 16.763 -5.952 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.624 16.222 -6.700 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.082 17.795 -6.278 1.00 0.00 O ATOM 0 H ASP A 34 -6.998 16.095 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.998 14.082 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.317 16.829 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.852 15.876 -4.103 1.00 0.00 H new ATOM 511 N SER A 35 -5.460 13.273 -2.950 1.00 0.00 N ATOM 512 CA SER A 35 -5.867 12.650 -1.703 1.00 0.00 C ATOM 513 C SER A 35 -5.024 13.157 -0.537 1.00 0.00 C ATOM 514 O SER A 35 -3.831 13.441 -0.687 1.00 0.00 O ATOM 515 CB SER A 35 -5.777 11.126 -1.813 1.00 0.00 C ATOM 516 OG SER A 35 -4.479 10.705 -2.195 1.00 0.00 O ATOM 0 H SER A 35 -4.670 12.822 -3.411 1.00 0.00 H new ATOM 0 HA SER A 35 -6.904 12.923 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.039 10.676 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.505 10.770 -2.542 1.00 0.00 H new ATOM 0 HG SER A 35 -4.024 11.434 -2.667 1.00 0.00 H new ATOM 522 N THR A 36 -5.659 13.276 0.619 1.00 0.00 N ATOM 523 CA THR A 36 -5.001 13.746 1.825 1.00 0.00 C ATOM 524 C THR A 36 -4.328 12.586 2.562 1.00 0.00 C ATOM 525 O THR A 36 -4.089 11.532 1.971 1.00 0.00 O ATOM 526 CB THR A 36 -6.026 14.437 2.744 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.173 13.591 2.912 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.459 15.774 2.159 1.00 0.00 C ATOM 0 H THR A 36 -6.645 13.049 0.746 1.00 0.00 H new ATOM 0 HA THR A 36 -4.231 14.464 1.544 1.00 0.00 H new ATOM 0 HB THR A 36 -5.557 14.616 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.822 14.033 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.183 16.245 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.590 16.423 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.915 15.613 1.182 1.00 0.00 H new ATOM 536 N SER A 37 -4.010 12.792 3.837 1.00 0.00 N ATOM 537 CA SER A 37 -3.388 11.761 4.656 1.00 0.00 C ATOM 538 C SER A 37 -4.243 10.499 4.692 1.00 0.00 C ATOM 539 O SER A 37 -5.430 10.547 5.026 1.00 0.00 O ATOM 540 CB SER A 37 -3.167 12.288 6.078 1.00 0.00 C ATOM 541 OG SER A 37 -2.477 11.346 6.886 1.00 0.00 O ATOM 0 H SER A 37 -4.175 13.671 4.327 1.00 0.00 H new ATOM 0 HA SER A 37 -2.426 11.505 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.599 13.218 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.129 12.522 6.533 1.00 0.00 H new ATOM 0 HG SER A 37 -2.352 11.716 7.785 1.00 0.00 H new ATOM 547 N PHE A 38 -3.633 9.381 4.337 1.00 0.00 N ATOM 548 CA PHE A 38 -4.297 8.091 4.374 1.00 0.00 C ATOM 549 C PHE A 38 -3.329 7.049 4.932 1.00 0.00 C ATOM 550 O PHE A 38 -2.126 7.109 4.674 1.00 0.00 O ATOM 551 CB PHE A 38 -4.794 7.699 2.976 1.00 0.00 C ATOM 552 CG PHE A 38 -3.701 7.382 1.994 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.070 8.385 1.273 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.309 6.072 1.791 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.065 8.080 0.375 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.307 5.765 0.898 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.686 6.763 0.188 1.00 0.00 C ATOM 0 H PHE A 38 -2.666 9.343 4.016 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.170 8.146 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.447 6.831 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.399 8.513 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.367 9.414 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.795 5.279 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.577 8.868 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.009 4.737 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.903 6.520 -0.515 1.00 0.00 H new ATOM 567 N ASN A 39 -3.842 6.108 5.702 1.00 0.00 N ATOM 568 CA ASN A 39 -2.983 5.168 6.416 1.00 0.00 C ATOM 569 C ASN A 39 -2.948 3.805 5.722 1.00 0.00 C ATOM 570 O ASN A 39 -3.954 3.114 5.655 1.00 0.00 O ATOM 571 CB ASN A 39 -3.478 5.023 7.858 1.00 0.00 C ATOM 572 CG ASN A 39 -2.498 4.286 8.745 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.290 4.309 8.510 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.007 3.646 9.786 1.00 0.00 N ATOM 0 H ASN A 39 -4.841 5.970 5.852 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.966 5.559 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.664 6.013 8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.430 4.493 7.858 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.392 3.147 10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.014 3.651 9.945 1.00 0.00 H new ATOM 581 N VAL A 40 -1.782 3.409 5.222 1.00 0.00 N ATOM 582 CA VAL A 40 -1.661 2.164 4.475 1.00 0.00 C ATOM 583 C VAL A 40 -1.039 1.075 5.345 1.00 0.00 C ATOM 584 O VAL A 40 0.026 1.262 5.933 1.00 0.00 O ATOM 585 CB VAL A 40 -0.852 2.366 3.162 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.050 1.128 2.793 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.791 2.711 2.027 1.00 0.00 C ATOM 0 H VAL A 40 -0.911 3.931 5.320 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.663 1.842 4.192 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.152 3.184 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.500 1.312 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.652 0.897 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.727 0.285 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.218 2.851 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.506 1.900 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.326 3.630 2.264 1.00 0.00 H new ATOM 597 N SER A 41 -1.728 -0.052 5.440 1.00 0.00 N ATOM 598 CA SER A 41 -1.285 -1.150 6.280 1.00 0.00 C ATOM 599 C SER A 41 -0.998 -2.394 5.444 1.00 0.00 C ATOM 600 O SER A 41 -1.751 -2.721 4.522 1.00 0.00 O ATOM 601 CB SER A 41 -2.354 -1.457 7.331 1.00 0.00 C ATOM 602 OG SER A 41 -3.611 -1.706 6.719 1.00 0.00 O ATOM 0 H SER A 41 -2.601 -0.229 4.942 1.00 0.00 H new ATOM 0 HA SER A 41 -0.361 -0.856 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.053 -2.324 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.441 -0.619 8.022 1.00 0.00 H new ATOM 0 HG SER A 41 -4.278 -1.902 7.410 1.00 0.00 H new ATOM 608 N LEU A 42 0.088 -3.079 5.768 1.00 0.00 N ATOM 609 CA LEU A 42 0.436 -4.324 5.104 1.00 0.00 C ATOM 610 C LEU A 42 -0.057 -5.504 5.932 1.00 0.00 C ATOM 611 O LEU A 42 0.480 -5.797 7.004 1.00 0.00 O ATOM 612 CB LEU A 42 1.951 -4.420 4.896 1.00 0.00 C ATOM 613 CG LEU A 42 2.429 -5.675 4.160 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.849 -5.725 2.755 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.948 -5.719 4.111 1.00 0.00 C ATOM 0 H LEU A 42 0.747 -2.791 6.491 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.045 -4.346 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.282 -3.543 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.439 -4.381 5.870 1.00 0.00 H new ATOM 0 HG LEU A 42 2.077 -6.549 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.200 -6.624 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.761 -5.742 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.170 -4.845 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.269 -6.618 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.321 -4.839 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.345 -5.732 5.126 1.00 0.00 H new ATOM 627 N LEU A 43 -1.097 -6.162 5.442 1.00 0.00 N ATOM 628 CA LEU A 43 -1.679 -7.295 6.141 1.00 0.00 C ATOM 629 C LEU A 43 -1.129 -8.599 5.581 1.00 0.00 C ATOM 630 O LEU A 43 -1.303 -8.900 4.405 1.00 0.00 O ATOM 631 CB LEU A 43 -3.211 -7.291 6.026 1.00 0.00 C ATOM 632 CG LEU A 43 -3.918 -6.020 6.513 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.016 -4.991 5.400 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.299 -6.354 7.059 1.00 0.00 C ATOM 0 H LEU A 43 -1.555 -5.929 4.561 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.411 -7.210 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.478 -7.454 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.600 -8.138 6.590 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.323 -5.588 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.521 -4.100 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.015 -4.725 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.582 -5.408 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.786 -5.440 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.899 -6.814 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.202 -7.047 7.895 1.00 0.00 H new ATOM 646 N VAL A 44 -0.461 -9.364 6.425 1.00 0.00 N ATOM 647 CA VAL A 44 0.092 -10.645 6.027 1.00 0.00 C ATOM 648 C VAL A 44 -0.808 -11.774 6.506 1.00 0.00 C ATOM 649 O VAL A 44 -0.824 -12.108 7.693 1.00 0.00 O ATOM 650 CB VAL A 44 1.518 -10.852 6.579 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.047 -12.233 6.217 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.450 -9.775 6.054 1.00 0.00 C ATOM 0 H VAL A 44 -0.287 -9.117 7.399 1.00 0.00 H new ATOM 0 HA VAL A 44 0.148 -10.653 4.938 1.00 0.00 H new ATOM 0 HB VAL A 44 1.475 -10.779 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.053 -12.354 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.394 -12.996 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.073 -12.340 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.452 -9.935 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.481 -9.820 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.087 -8.796 6.367 1.00 0.00 H new ATOM 662 N ASP A 45 -1.591 -12.312 5.576 1.00 0.00 N ATOM 663 CA ASP A 45 -2.472 -13.449 5.842 1.00 0.00 C ATOM 664 C ASP A 45 -3.490 -13.152 6.943 1.00 0.00 C ATOM 665 O ASP A 45 -4.025 -14.070 7.563 1.00 0.00 O ATOM 666 CB ASP A 45 -1.653 -14.697 6.203 1.00 0.00 C ATOM 667 CG ASP A 45 -1.140 -15.428 4.979 1.00 0.00 C ATOM 668 OD1 ASP A 45 -1.937 -16.149 4.341 1.00 0.00 O ATOM 669 OD2 ASP A 45 0.055 -15.297 4.649 1.00 0.00 O ATOM 0 H ASP A 45 -1.634 -11.973 4.615 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.029 -13.638 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.809 -14.406 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.270 -15.374 6.795 1.00 0.00 H new ATOM 674 N GLY A 46 -3.767 -11.875 7.173 1.00 0.00 N ATOM 675 CA GLY A 46 -4.772 -11.505 8.152 1.00 0.00 C ATOM 676 C GLY A 46 -4.228 -10.614 9.252 1.00 0.00 C ATOM 677 O GLY A 46 -4.972 -9.837 9.851 1.00 0.00 O ATOM 0 H GLY A 46 -3.316 -11.091 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.591 -10.992 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.188 -12.409 8.597 1.00 0.00 H new ATOM 681 N ILE A 47 -2.934 -10.723 9.525 1.00 0.00 N ATOM 682 CA ILE A 47 -2.313 -9.928 10.582 1.00 0.00 C ATOM 683 C ILE A 47 -1.637 -8.706 9.979 1.00 0.00 C ATOM 684 O ILE A 47 -1.143 -8.751 8.859 1.00 0.00 O ATOM 685 CB ILE A 47 -1.256 -10.732 11.371 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.749 -12.156 11.658 1.00 0.00 C ATOM 687 CG2 ILE A 47 -0.899 -10.025 12.674 1.00 0.00 C ATOM 688 CD1 ILE A 47 -3.001 -12.216 12.510 1.00 0.00 C ATOM 0 H ILE A 47 -2.296 -11.349 9.034 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.106 -9.633 11.269 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.360 -10.797 10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.942 -12.660 10.711 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.955 -12.710 12.158 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.153 -10.610 13.213 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.495 -9.037 12.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.793 -9.922 13.289 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.285 -13.257 12.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.809 -11.743 13.473 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.811 -11.692 12.003 1.00 0.00 H new ATOM 700 N VAL A 48 -1.602 -7.625 10.726 1.00 0.00 N ATOM 701 CA VAL A 48 -0.993 -6.392 10.249 1.00 0.00 C ATOM 702 C VAL A 48 0.421 -6.272 10.795 1.00 0.00 C ATOM 703 O VAL A 48 0.618 -6.086 11.994 1.00 0.00 O ATOM 704 CB VAL A 48 -1.811 -5.147 10.654 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.215 -3.891 10.034 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.270 -5.304 10.252 1.00 0.00 C ATOM 0 H VAL A 48 -1.987 -7.569 11.669 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.972 -6.436 9.160 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.767 -5.049 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.805 -3.024 10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.188 -3.767 10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.224 -3.982 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.827 -4.415 10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.338 -5.432 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.692 -6.178 10.748 1.00 0.00 H new ATOM 716 N VAL A 49 1.402 -6.397 9.913 1.00 0.00 N ATOM 717 CA VAL A 49 2.797 -6.395 10.331 1.00 0.00 C ATOM 718 C VAL A 49 3.393 -4.991 10.306 1.00 0.00 C ATOM 719 O VAL A 49 4.259 -4.666 11.120 1.00 0.00 O ATOM 720 CB VAL A 49 3.661 -7.340 9.466 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.223 -8.785 9.659 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.595 -6.952 7.996 1.00 0.00 C ATOM 0 H VAL A 49 1.260 -6.501 8.908 1.00 0.00 H new ATOM 0 HA VAL A 49 2.807 -6.761 11.358 1.00 0.00 H new ATOM 0 HB VAL A 49 4.697 -7.244 9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.841 -9.438 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.335 -9.062 10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.179 -8.891 9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.212 -7.634 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.563 -7.010 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.962 -5.933 7.872 1.00 0.00 H new ATOM 732 N ASP A 50 2.919 -4.156 9.390 1.00 0.00 N ATOM 733 CA ASP A 50 3.465 -2.813 9.242 1.00 0.00 C ATOM 734 C ASP A 50 2.384 -1.853 8.763 1.00 0.00 C ATOM 735 O ASP A 50 1.557 -2.207 7.920 1.00 0.00 O ATOM 736 CB ASP A 50 4.638 -2.817 8.254 1.00 0.00 C ATOM 737 CG ASP A 50 5.533 -1.598 8.397 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.066 -0.469 8.157 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.719 -1.766 8.746 1.00 0.00 O ATOM 0 H ASP A 50 2.164 -4.382 8.743 1.00 0.00 H new ATOM 0 HA ASP A 50 3.828 -2.480 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.232 -3.718 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.250 -2.859 7.236 1.00 0.00 H new ATOM 744 N THR A 51 2.387 -0.650 9.315 1.00 0.00 N ATOM 745 CA THR A 51 1.417 0.373 8.960 1.00 0.00 C ATOM 746 C THR A 51 2.131 1.702 8.735 1.00 0.00 C ATOM 747 O THR A 51 2.814 2.204 9.630 1.00 0.00 O ATOM 748 CB THR A 51 0.372 0.547 10.080 1.00 0.00 C ATOM 749 OG1 THR A 51 0.045 -0.726 10.658 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.893 1.191 9.543 1.00 0.00 C ATOM 0 H THR A 51 3.062 -0.356 10.021 1.00 0.00 H new ATOM 0 HA THR A 51 0.910 0.062 8.047 1.00 0.00 H new ATOM 0 HB THR A 51 0.804 1.195 10.843 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.618 -0.602 11.369 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.615 1.303 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.655 2.171 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.318 0.561 8.761 1.00 0.00 H new ATOM 758 N GLN A 52 1.986 2.266 7.547 1.00 0.00 N ATOM 759 CA GLN A 52 2.657 3.510 7.219 1.00 0.00 C ATOM 760 C GLN A 52 1.657 4.522 6.673 1.00 0.00 C ATOM 761 O GLN A 52 1.057 4.317 5.617 1.00 0.00 O ATOM 762 CB GLN A 52 3.777 3.263 6.203 1.00 0.00 C ATOM 763 CG GLN A 52 4.744 4.430 6.063 1.00 0.00 C ATOM 764 CD GLN A 52 4.748 5.033 4.670 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.509 4.613 3.802 1.00 0.00 O ATOM 766 NE2 GLN A 52 3.908 6.032 4.451 1.00 0.00 N ATOM 0 H GLN A 52 1.411 1.882 6.797 1.00 0.00 H new ATOM 0 HA GLN A 52 3.100 3.915 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.334 2.374 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.333 3.052 5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.481 5.202 6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.751 4.092 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.291 6.353 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.877 6.481 3.536 1.00 0.00 H new ATOM 775 N THR A 53 1.464 5.605 7.410 1.00 0.00 N ATOM 776 CA THR A 53 0.562 6.660 6.988 1.00 0.00 C ATOM 777 C THR A 53 1.215 7.516 5.907 1.00 0.00 C ATOM 778 O THR A 53 2.370 7.925 6.042 1.00 0.00 O ATOM 779 CB THR A 53 0.167 7.550 8.182 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.275 6.727 9.271 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.938 8.522 7.800 1.00 0.00 C ATOM 0 H THR A 53 1.922 5.775 8.305 1.00 0.00 H new ATOM 0 HA THR A 53 -0.336 6.194 6.583 1.00 0.00 H new ATOM 0 HB THR A 53 1.042 8.126 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.475 5.827 8.940 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.196 9.137 8.662 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.595 9.162 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.817 7.965 7.476 1.00 0.00 H new ATOM 789 N VAL A 54 0.493 7.757 4.827 1.00 0.00 N ATOM 790 CA VAL A 54 0.982 8.611 3.759 1.00 0.00 C ATOM 791 C VAL A 54 0.327 9.980 3.870 1.00 0.00 C ATOM 792 O VAL A 54 -0.898 10.089 3.847 1.00 0.00 O ATOM 793 CB VAL A 54 0.697 8.012 2.367 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.335 8.861 1.277 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.191 6.573 2.286 1.00 0.00 C ATOM 0 H VAL A 54 -0.438 7.372 4.666 1.00 0.00 H new ATOM 0 HA VAL A 54 2.063 8.698 3.866 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.382 8.010 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.122 8.422 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.927 9.871 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.413 8.899 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.979 6.171 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.266 6.547 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.682 5.971 3.038 1.00 0.00 H new ATOM 805 N THR A 55 1.149 11.011 4.012 1.00 0.00 N ATOM 806 CA THR A 55 0.663 12.365 4.250 1.00 0.00 C ATOM 807 C THR A 55 -0.246 12.873 3.125 1.00 0.00 C ATOM 808 O THR A 55 -1.213 13.587 3.388 1.00 0.00 O ATOM 809 CB THR A 55 1.842 13.336 4.451 1.00 0.00 C ATOM 810 OG1 THR A 55 2.711 12.825 5.472 1.00 0.00 O ATOM 811 CG2 THR A 55 1.357 14.723 4.852 1.00 0.00 C ATOM 0 H THR A 55 2.165 10.934 3.966 1.00 0.00 H new ATOM 0 HA THR A 55 0.063 12.326 5.159 1.00 0.00 H new ATOM 0 HB THR A 55 2.377 13.421 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.463 13.441 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.214 15.383 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.710 15.122 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.800 14.658 5.787 1.00 0.00 H new ATOM 819 N SER A 56 0.050 12.509 1.879 1.00 0.00 N ATOM 820 CA SER A 56 -0.771 12.945 0.754 1.00 0.00 C ATOM 821 C SER A 56 -0.346 12.257 -0.541 1.00 0.00 C ATOM 822 O SER A 56 0.810 11.857 -0.697 1.00 0.00 O ATOM 823 CB SER A 56 -0.679 14.470 0.596 1.00 0.00 C ATOM 824 OG SER A 56 -1.608 14.952 -0.364 1.00 0.00 O ATOM 0 H SER A 56 0.843 11.920 1.625 1.00 0.00 H new ATOM 0 HA SER A 56 -1.804 12.666 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.867 14.948 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.332 14.745 0.295 1.00 0.00 H new ATOM 0 HG SER A 56 -2.389 14.360 -0.389 1.00 0.00 H new ATOM 830 N LEU A 57 -1.298 12.113 -1.456 1.00 0.00 N ATOM 831 CA LEU A 57 -1.035 11.560 -2.777 1.00 0.00 C ATOM 832 C LEU A 57 -1.826 12.335 -3.830 1.00 0.00 C ATOM 833 O LEU A 57 -3.060 12.315 -3.836 1.00 0.00 O ATOM 834 CB LEU A 57 -1.391 10.069 -2.815 1.00 0.00 C ATOM 835 CG LEU A 57 -1.307 9.407 -4.194 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.042 9.669 -4.839 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.551 7.910 -4.075 1.00 0.00 C ATOM 0 H LEU A 57 -2.271 12.376 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 57 0.028 11.658 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.726 9.537 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.404 9.945 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.079 9.842 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.077 9.189 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.187 10.743 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.832 9.264 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.489 7.452 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.798 7.469 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.542 7.735 -3.656 1.00 0.00 H new ATOM 849 N GLU A 58 -1.110 13.027 -4.703 1.00 0.00 N ATOM 850 CA GLU A 58 -1.728 13.885 -5.706 1.00 0.00 C ATOM 851 C GLU A 58 -2.448 13.079 -6.784 1.00 0.00 C ATOM 852 O GLU A 58 -2.366 11.847 -6.831 1.00 0.00 O ATOM 853 CB GLU A 58 -0.684 14.791 -6.370 1.00 0.00 C ATOM 854 CG GLU A 58 0.262 15.467 -5.394 1.00 0.00 C ATOM 855 CD GLU A 58 1.519 14.658 -5.154 1.00 0.00 C ATOM 856 OE1 GLU A 58 1.466 13.672 -4.389 1.00 0.00 O ATOM 857 OE2 GLU A 58 2.565 15.003 -5.736 1.00 0.00 O ATOM 0 H GLU A 58 -0.091 13.011 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.463 14.496 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.100 14.198 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.199 15.557 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.534 16.450 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.251 15.626 -4.446 1.00 0.00 H new ATOM 864 N SER A 59 -3.151 13.793 -7.645 1.00 0.00 N ATOM 865 CA SER A 59 -3.879 13.193 -8.749 1.00 0.00 C ATOM 866 C SER A 59 -2.918 12.519 -9.726 1.00 0.00 C ATOM 867 O SER A 59 -1.919 13.115 -10.133 1.00 0.00 O ATOM 868 CB SER A 59 -4.691 14.269 -9.472 1.00 0.00 C ATOM 869 OG SER A 59 -5.429 15.055 -8.549 1.00 0.00 O ATOM 0 H SER A 59 -3.233 14.809 -7.598 1.00 0.00 H new ATOM 0 HA SER A 59 -4.553 12.434 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.022 14.909 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.372 13.800 -10.182 1.00 0.00 H new ATOM 0 HG SER A 59 -5.939 15.737 -9.034 1.00 0.00 H new ATOM 875 N GLU A 60 -3.214 11.262 -10.061 1.00 0.00 N ATOM 876 CA GLU A 60 -2.442 10.495 -11.043 1.00 0.00 C ATOM 877 C GLU A 60 -0.992 10.295 -10.609 1.00 0.00 C ATOM 878 O GLU A 60 -0.128 9.990 -11.432 1.00 0.00 O ATOM 879 CB GLU A 60 -2.482 11.173 -12.414 1.00 0.00 C ATOM 880 CG GLU A 60 -3.873 11.246 -13.023 1.00 0.00 C ATOM 881 CD GLU A 60 -3.868 11.902 -14.386 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.676 11.189 -15.392 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.037 13.137 -14.456 1.00 0.00 O ATOM 0 H GLU A 60 -3.996 10.746 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.909 9.512 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.083 12.183 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.825 10.632 -13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.284 10.240 -13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.531 11.804 -12.356 1.00 0.00 H new ATOM 890 N ASN A 61 -0.720 10.452 -9.323 1.00 0.00 N ATOM 891 CA ASN A 61 0.630 10.251 -8.815 1.00 0.00 C ATOM 892 C ASN A 61 0.733 8.883 -8.150 1.00 0.00 C ATOM 893 O ASN A 61 -0.281 8.293 -7.768 1.00 0.00 O ATOM 894 CB ASN A 61 1.016 11.363 -7.829 1.00 0.00 C ATOM 895 CG ASN A 61 2.478 11.299 -7.414 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.332 10.841 -8.176 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.782 11.762 -6.211 1.00 0.00 N ATOM 0 H ASN A 61 -1.408 10.715 -8.617 1.00 0.00 H new ATOM 0 HA ASN A 61 1.327 10.291 -9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.814 12.333 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.387 11.290 -6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.749 11.747 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.049 12.134 -5.607 1.00 0.00 H new ATOM 904 N SER A 62 1.949 8.375 -8.037 1.00 0.00 N ATOM 905 CA SER A 62 2.186 7.088 -7.417 1.00 0.00 C ATOM 906 C SER A 62 3.136 7.243 -6.229 1.00 0.00 C ATOM 907 O SER A 62 4.229 7.795 -6.368 1.00 0.00 O ATOM 908 CB SER A 62 2.773 6.123 -8.449 1.00 0.00 C ATOM 909 OG SER A 62 2.036 6.164 -9.666 1.00 0.00 O ATOM 0 H SER A 62 2.792 8.842 -8.371 1.00 0.00 H new ATOM 0 HA SER A 62 1.242 6.685 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.814 6.381 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.765 5.109 -8.049 1.00 0.00 H new ATOM 0 HG SER A 62 2.432 5.540 -10.309 1.00 0.00 H new ATOM 915 N THR A 63 2.717 6.773 -5.065 1.00 0.00 N ATOM 916 CA THR A 63 3.528 6.869 -3.862 1.00 0.00 C ATOM 917 C THR A 63 4.157 5.525 -3.520 1.00 0.00 C ATOM 918 O THR A 63 3.503 4.481 -3.598 1.00 0.00 O ATOM 919 CB THR A 63 2.699 7.362 -2.658 1.00 0.00 C ATOM 920 OG1 THR A 63 2.132 8.642 -2.945 1.00 0.00 O ATOM 921 CG2 THR A 63 3.553 7.461 -1.401 1.00 0.00 C ATOM 0 H THR A 63 1.814 6.319 -4.928 1.00 0.00 H new ATOM 0 HA THR A 63 4.315 7.595 -4.067 1.00 0.00 H new ATOM 0 HB THR A 63 1.905 6.636 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.631 9.065 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.939 7.811 -0.571 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.962 6.480 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.369 8.163 -1.570 1.00 0.00 H new ATOM 929 N ASN A 64 5.432 5.554 -3.166 1.00 0.00 N ATOM 930 CA ASN A 64 6.126 4.363 -2.710 1.00 0.00 C ATOM 931 C ASN A 64 6.051 4.273 -1.194 1.00 0.00 C ATOM 932 O ASN A 64 6.516 5.169 -0.486 1.00 0.00 O ATOM 933 CB ASN A 64 7.586 4.378 -3.167 1.00 0.00 C ATOM 934 CG ASN A 64 7.738 4.282 -4.675 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.805 3.606 -5.331 1.00 0.00 O flip ATOM 936 ND2 ASN A 64 8.690 4.810 -5.246 1.00 0.00 N flip ATOM 0 H ASN A 64 6.009 6.395 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 64 5.642 3.489 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.061 5.295 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.115 3.547 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.388 5.322 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.782 4.736 -6.259 1.00 0.00 H new ATOM 943 N VAL A 65 5.458 3.199 -0.705 1.00 0.00 N ATOM 944 CA VAL A 65 5.268 3.015 0.724 1.00 0.00 C ATOM 945 C VAL A 65 6.383 2.157 1.302 1.00 0.00 C ATOM 946 O VAL A 65 6.752 1.133 0.724 1.00 0.00 O ATOM 947 CB VAL A 65 3.903 2.359 1.024 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.655 2.273 2.521 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.785 3.127 0.339 1.00 0.00 C ATOM 0 H VAL A 65 5.098 2.437 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 65 5.291 4.000 1.191 1.00 0.00 H new ATOM 0 HB VAL A 65 3.920 1.343 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.687 1.807 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.439 1.675 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.661 3.275 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.829 2.652 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.773 4.154 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.950 3.126 -0.738 1.00 0.00 H new ATOM 959 N ASP A 66 6.911 2.588 2.435 1.00 0.00 N ATOM 960 CA ASP A 66 8.039 1.923 3.072 1.00 0.00 C ATOM 961 C ASP A 66 7.555 0.965 4.153 1.00 0.00 C ATOM 962 O ASP A 66 7.010 1.395 5.167 1.00 0.00 O ATOM 963 CB ASP A 66 8.974 2.976 3.677 1.00 0.00 C ATOM 964 CG ASP A 66 10.199 2.377 4.335 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.987 1.715 3.631 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.397 2.596 5.552 1.00 0.00 O ATOM 0 H ASP A 66 6.572 3.407 2.940 1.00 0.00 H new ATOM 0 HA ASP A 66 8.581 1.345 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.290 3.665 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.423 3.562 4.413 1.00 0.00 H new ATOM 971 N PHE A 67 7.730 -0.332 3.926 1.00 0.00 N ATOM 972 CA PHE A 67 7.349 -1.343 4.908 1.00 0.00 C ATOM 973 C PHE A 67 8.576 -2.042 5.476 1.00 0.00 C ATOM 974 O PHE A 67 9.525 -2.336 4.751 1.00 0.00 O ATOM 975 CB PHE A 67 6.429 -2.397 4.291 1.00 0.00 C ATOM 976 CG PHE A 67 5.063 -1.896 3.927 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.262 -1.277 4.872 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.576 -2.061 2.641 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.999 -0.829 4.539 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.313 -1.618 2.305 1.00 0.00 C ATOM 981 CZ PHE A 67 2.524 -1.003 3.254 1.00 0.00 C ATOM 0 H PHE A 67 8.134 -0.710 3.069 1.00 0.00 H new ATOM 0 HA PHE A 67 6.820 -0.824 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.905 -2.797 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.323 -3.224 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.629 -1.143 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.191 -2.541 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.384 -0.343 5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.943 -1.753 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.535 -0.657 2.992 1.00 0.00 H new ATOM 991 N HIS A 68 8.553 -2.303 6.777 1.00 0.00 N ATOM 992 CA HIS A 68 9.627 -3.037 7.436 1.00 0.00 C ATOM 993 C HIS A 68 9.079 -4.352 7.977 1.00 0.00 C ATOM 994 O HIS A 68 8.485 -4.389 9.055 1.00 0.00 O ATOM 995 CB HIS A 68 10.241 -2.217 8.581 1.00 0.00 C ATOM 996 CG HIS A 68 10.923 -0.951 8.146 1.00 0.00 C ATOM 997 ND1 HIS A 68 11.787 -0.249 8.954 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.848 -0.253 6.992 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.210 0.825 8.316 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.654 0.847 7.119 1.00 0.00 N ATOM 0 H HIS A 68 7.798 -2.016 7.400 1.00 0.00 H new ATOM 0 HA HIS A 68 10.412 -3.233 6.705 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.455 -1.965 9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.962 -2.840 9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.259 -0.515 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.896 1.562 8.707 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.800 1.563 6.408 1.00 0.00 H new ATOM 1009 N TRP A 69 9.269 -5.425 7.225 1.00 0.00 N ATOM 1010 CA TRP A 69 8.672 -6.706 7.568 1.00 0.00 C ATOM 1011 C TRP A 69 9.721 -7.703 8.057 1.00 0.00 C ATOM 1012 O TRP A 69 10.611 -8.113 7.307 1.00 0.00 O ATOM 1013 CB TRP A 69 7.908 -7.261 6.359 1.00 0.00 C ATOM 1014 CG TRP A 69 7.378 -8.650 6.556 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.924 -9.202 7.719 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.236 -9.657 5.552 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.532 -10.500 7.502 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.713 -10.802 6.178 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.513 -9.705 4.183 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.456 -11.977 5.479 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.255 -10.871 3.492 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.736 -11.994 4.141 1.00 0.00 C ATOM 0 H TRP A 69 9.831 -5.434 6.374 1.00 0.00 H new ATOM 0 HA TRP A 69 7.973 -6.550 8.389 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.076 -6.595 6.131 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.568 -7.255 5.491 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.880 -8.693 8.670 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.166 -11.136 8.211 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.922 -8.844 3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.049 -12.845 5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.458 -10.916 2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.552 -12.894 3.574 1.00 0.00 H new ATOM 1033 N THR A 70 9.612 -8.073 9.325 1.00 0.00 N ATOM 1034 CA THR A 70 10.480 -9.077 9.919 1.00 0.00 C ATOM 1035 C THR A 70 9.956 -10.477 9.601 1.00 0.00 C ATOM 1036 O THR A 70 8.803 -10.794 9.899 1.00 0.00 O ATOM 1037 CB THR A 70 10.554 -8.902 11.450 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.769 -7.523 11.777 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.675 -9.745 12.042 1.00 0.00 C ATOM 0 H THR A 70 8.921 -7.686 9.968 1.00 0.00 H new ATOM 0 HA THR A 70 11.478 -8.952 9.499 1.00 0.00 H new ATOM 0 HB THR A 70 9.607 -9.235 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.813 -7.421 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.705 -9.603 13.122 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.496 -10.797 11.819 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.628 -9.439 11.609 1.00 0.00 H new ATOM 1047 N LEU A 71 10.793 -11.306 8.995 1.00 0.00 N ATOM 1048 CA LEU A 71 10.379 -12.651 8.622 1.00 0.00 C ATOM 1049 C LEU A 71 10.512 -13.624 9.783 1.00 0.00 C ATOM 1050 O LEU A 71 11.592 -13.797 10.349 1.00 0.00 O ATOM 1051 CB LEU A 71 11.182 -13.164 7.428 1.00 0.00 C ATOM 1052 CG LEU A 71 10.406 -13.236 6.113 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.165 -14.099 6.272 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.039 -11.844 5.639 1.00 0.00 C ATOM 0 H LEU A 71 11.756 -11.074 8.752 1.00 0.00 H new ATOM 0 HA LEU A 71 9.327 -12.590 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.048 -12.518 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.561 -14.158 7.664 1.00 0.00 H new ATOM 0 HG LEU A 71 11.044 -13.696 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.626 -14.138 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.458 -15.107 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.520 -13.671 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.487 -11.913 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.419 -11.355 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.947 -11.261 5.483 1.00 0.00 H new ATOM 1066 N ASP A 72 9.401 -14.258 10.116 1.00 0.00 N ATOM 1067 CA ASP A 72 9.368 -15.294 11.138 1.00 0.00 C ATOM 1068 C ASP A 72 9.884 -16.607 10.558 1.00 0.00 C ATOM 1069 O ASP A 72 10.677 -17.312 11.187 1.00 0.00 O ATOM 1070 CB ASP A 72 7.936 -15.465 11.666 1.00 0.00 C ATOM 1071 CG ASP A 72 6.961 -15.906 10.587 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.003 -15.341 9.471 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.160 -16.824 10.840 1.00 0.00 O ATOM 0 H ASP A 72 8.495 -14.070 9.686 1.00 0.00 H new ATOM 0 HA ASP A 72 10.011 -15.001 11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.936 -16.199 12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.596 -14.522 12.094 1.00 0.00 H new ATOM 1078 N GLY A 73 9.441 -16.916 9.343 1.00 0.00 N ATOM 1079 CA GLY A 73 9.917 -18.095 8.645 1.00 0.00 C ATOM 1080 C GLY A 73 9.092 -19.334 8.936 1.00 0.00 C ATOM 1081 O GLY A 73 9.638 -20.423 9.085 1.00 0.00 O ATOM 0 H GLY A 73 8.755 -16.365 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.907 -17.903 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.953 -18.282 8.926 1.00 0.00 H new ATOM 1085 N THR A 74 7.777 -19.178 9.013 1.00 0.00 N ATOM 1086 CA THR A 74 6.897 -20.312 9.259 1.00 0.00 C ATOM 1087 C THR A 74 6.279 -20.807 7.947 1.00 0.00 C ATOM 1088 O THR A 74 5.722 -21.907 7.877 1.00 0.00 O ATOM 1089 CB THR A 74 5.787 -19.944 10.267 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.370 -19.307 11.412 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.016 -21.176 10.723 1.00 0.00 C ATOM 0 H THR A 74 7.299 -18.283 8.909 1.00 0.00 H new ATOM 0 HA THR A 74 7.496 -21.115 9.689 1.00 0.00 H new ATOM 0 HB THR A 74 5.093 -19.268 9.768 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.160 -18.350 11.396 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.243 -20.880 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.553 -21.655 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.700 -21.876 11.204 1.00 0.00 H new ATOM 1099 N ALA A 75 6.394 -19.994 6.904 1.00 0.00 N ATOM 1100 CA ALA A 75 5.885 -20.356 5.591 1.00 0.00 C ATOM 1101 C ALA A 75 6.791 -19.806 4.495 1.00 0.00 C ATOM 1102 O ALA A 75 7.462 -18.790 4.687 1.00 0.00 O ATOM 1103 CB ALA A 75 4.467 -19.836 5.418 1.00 0.00 C ATOM 0 H ALA A 75 6.837 -19.076 6.945 1.00 0.00 H new ATOM 0 HA ALA A 75 5.872 -21.443 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.096 -20.113 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.824 -20.271 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.463 -18.750 5.516 1.00 0.00 H new ATOM 1109 N ASN A 76 6.810 -20.477 3.349 1.00 0.00 N ATOM 1110 CA ASN A 76 7.632 -20.043 2.221 1.00 0.00 C ATOM 1111 C ASN A 76 6.854 -19.094 1.325 1.00 0.00 C ATOM 1112 O ASN A 76 7.408 -18.484 0.409 1.00 0.00 O ATOM 1113 CB ASN A 76 8.115 -21.238 1.393 1.00 0.00 C ATOM 1114 CG ASN A 76 9.134 -22.093 2.120 1.00 0.00 C ATOM 1115 OD1 ASN A 76 9.884 -21.610 2.970 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.181 -23.368 1.774 1.00 0.00 N ATOM 0 H ASN A 76 6.267 -21.323 3.175 1.00 0.00 H new ATOM 0 HA ASN A 76 8.500 -19.526 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.258 -21.855 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.552 -20.875 0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.856 -23.992 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.542 -23.728 1.065 1.00 0.00 H new ATOM 1123 N SER A 77 5.561 -18.991 1.577 1.00 0.00 N ATOM 1124 CA SER A 77 4.698 -18.114 0.807 1.00 0.00 C ATOM 1125 C SER A 77 3.688 -17.431 1.720 1.00 0.00 C ATOM 1126 O SER A 77 2.924 -18.093 2.421 1.00 0.00 O ATOM 1127 CB SER A 77 3.980 -18.912 -0.280 1.00 0.00 C ATOM 1128 OG SER A 77 4.914 -19.602 -1.098 1.00 0.00 O ATOM 0 H SER A 77 5.083 -19.508 2.315 1.00 0.00 H new ATOM 0 HA SER A 77 5.308 -17.345 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.295 -19.625 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.379 -18.241 -0.893 1.00 0.00 H new ATOM 0 HG SER A 77 4.434 -20.108 -1.787 1.00 0.00 H new ATOM 1134 N TYR A 78 3.706 -16.109 1.727 1.00 0.00 N ATOM 1135 CA TYR A 78 2.783 -15.342 2.549 1.00 0.00 C ATOM 1136 C TYR A 78 1.850 -14.501 1.692 1.00 0.00 C ATOM 1137 O TYR A 78 2.197 -14.110 0.574 1.00 0.00 O ATOM 1138 CB TYR A 78 3.542 -14.432 3.510 1.00 0.00 C ATOM 1139 CG TYR A 78 4.236 -15.165 4.631 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.504 -15.795 5.628 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.619 -15.204 4.708 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.133 -16.448 6.666 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.255 -15.858 5.741 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.509 -16.476 6.720 1.00 0.00 C ATOM 1145 OH TYR A 78 6.140 -17.116 7.762 1.00 0.00 O ATOM 0 H TYR A 78 4.349 -15.544 1.173 1.00 0.00 H new ATOM 0 HA TYR A 78 2.189 -16.055 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.283 -13.864 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.845 -13.711 3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.425 -15.773 5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.208 -14.714 3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.550 -16.935 7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.334 -15.886 5.783 1.00 0.00 H new ATOM 0 HH TYR A 78 6.741 -16.489 8.215 1.00 0.00 H new ATOM 1155 N THR A 79 0.676 -14.215 2.233 1.00 0.00 N ATOM 1156 CA THR A 79 -0.309 -13.407 1.543 1.00 0.00 C ATOM 1157 C THR A 79 -0.208 -11.960 2.006 1.00 0.00 C ATOM 1158 O THR A 79 -0.849 -11.564 2.982 1.00 0.00 O ATOM 1159 CB THR A 79 -1.737 -13.923 1.807 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.762 -15.356 1.740 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.720 -13.351 0.794 1.00 0.00 C ATOM 0 H THR A 79 0.383 -14.535 3.156 1.00 0.00 H new ATOM 0 HA THR A 79 -0.106 -13.472 0.474 1.00 0.00 H new ATOM 0 HB THR A 79 -2.035 -13.598 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.823 -15.725 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.720 -13.731 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.723 -12.263 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.421 -13.649 -0.211 1.00 0.00 H new ATOM 1169 N LEU A 80 0.621 -11.182 1.330 1.00 0.00 N ATOM 1170 CA LEU A 80 0.818 -9.795 1.700 1.00 0.00 C ATOM 1171 C LEU A 80 -0.211 -8.919 1.017 1.00 0.00 C ATOM 1172 O LEU A 80 -0.222 -8.774 -0.205 1.00 0.00 O ATOM 1173 CB LEU A 80 2.236 -9.335 1.373 1.00 0.00 C ATOM 1174 CG LEU A 80 3.264 -9.579 2.481 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.381 -11.057 2.816 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.609 -9.020 2.072 1.00 0.00 C ATOM 0 H LEU A 80 1.166 -11.489 0.524 1.00 0.00 H new ATOM 0 HA LEU A 80 0.685 -9.704 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.569 -9.846 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.214 -8.269 1.146 1.00 0.00 H new ATOM 0 HG LEU A 80 2.922 -9.064 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.119 -11.194 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.415 -11.431 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.693 -11.608 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.334 -9.198 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.944 -9.510 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.519 -7.948 1.896 1.00 0.00 H new ATOM 1188 N THR A 81 -1.080 -8.354 1.823 1.00 0.00 N ATOM 1189 CA THR A 81 -2.209 -7.608 1.328 1.00 0.00 C ATOM 1190 C THR A 81 -2.106 -6.143 1.739 1.00 0.00 C ATOM 1191 O THR A 81 -2.151 -5.814 2.924 1.00 0.00 O ATOM 1192 CB THR A 81 -3.511 -8.219 1.869 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.441 -9.648 1.775 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.712 -7.726 1.088 1.00 0.00 C ATOM 0 H THR A 81 -1.022 -8.400 2.840 1.00 0.00 H new ATOM 0 HA THR A 81 -2.213 -7.659 0.239 1.00 0.00 H new ATOM 0 HB THR A 81 -3.626 -7.914 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.270 -10.040 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.619 -8.175 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.777 -6.641 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.605 -8.007 0.040 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.929 -5.271 0.761 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.864 -3.841 1.020 1.00 0.00 C ATOM 1204 C VAL A 82 -3.262 -3.247 1.001 1.00 0.00 C ATOM 1205 O VAL A 82 -3.897 -3.179 -0.049 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.988 -3.108 -0.019 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.930 -1.615 0.276 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.415 -3.698 -0.052 1.00 0.00 C ATOM 0 H VAL A 82 -1.828 -5.528 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.411 -3.708 2.003 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.443 -3.245 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.307 -1.121 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.937 -1.198 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.505 -1.456 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.016 -3.167 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.875 -3.597 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.360 -4.753 -0.320 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.758 -2.858 2.165 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.053 -2.206 2.234 1.00 0.00 C ATOM 1220 C ASN A 83 -4.870 -0.725 2.495 1.00 0.00 C ATOM 1221 O ASN A 83 -4.280 -0.323 3.500 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.947 -2.825 3.306 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.343 -2.228 3.286 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.206 -2.673 2.532 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.574 -1.220 4.116 1.00 0.00 N ATOM 0 H ASN A 83 -3.290 -2.981 3.063 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.549 -2.349 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.009 -3.902 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.499 -2.670 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.496 -0.784 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.830 -0.881 4.726 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.372 0.076 1.579 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.200 1.508 1.633 1.00 0.00 C ATOM 1234 C VAL A 84 -6.263 2.169 2.503 1.00 0.00 C ATOM 1235 O VAL A 84 -7.452 2.151 2.183 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.211 2.108 0.214 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.159 3.625 0.262 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.040 1.558 -0.586 1.00 0.00 C ATOM 0 H VAL A 84 -5.911 -0.250 0.776 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.230 1.707 2.089 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.142 1.823 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.168 4.022 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.025 4.002 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.247 3.942 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.052 1.985 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.105 1.821 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.122 0.473 -0.653 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.797 2.697 3.628 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.595 3.499 4.554 1.00 0.00 C ATOM 1250 C ASP A 85 -7.822 2.759 5.075 1.00 0.00 C ATOM 1251 O ASP A 85 -8.911 2.860 4.516 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.006 4.828 3.923 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.427 5.835 4.973 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.639 6.074 5.913 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.536 6.388 4.868 1.00 0.00 O ATOM 0 H ASP A 85 -4.830 2.578 3.931 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.952 3.698 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.174 5.230 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.828 4.662 3.226 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.654 1.992 6.163 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.763 1.319 6.836 1.00 0.00 C ATOM 1262 C PRO A 86 -9.627 2.312 7.606 1.00 0.00 C ATOM 1263 O PRO A 86 -10.702 1.970 8.103 1.00 0.00 O ATOM 1264 CB PRO A 86 -8.076 0.343 7.805 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.627 0.363 7.443 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.375 1.704 6.820 1.00 0.00 C ATOM 0 HA PRO A 86 -9.430 0.821 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.225 0.650 8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.490 -0.661 7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.003 0.219 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.387 -0.442 6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.123 2.458 7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.551 1.672 6.108 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.142 3.545 7.695 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.843 4.610 8.392 1.00 0.00 C ATOM 1276 C GLU A 87 -10.900 5.227 7.486 1.00 0.00 C ATOM 1277 O GLU A 87 -11.907 5.758 7.960 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.847 5.686 8.834 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.713 5.159 9.699 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.194 4.620 11.029 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.553 3.428 11.100 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -8.220 5.392 12.012 1.00 0.00 O ATOM 0 H GLU A 87 -8.253 3.832 7.286 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.333 4.191 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.425 6.162 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.383 6.458 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.187 4.370 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.994 5.959 9.875 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.656 5.147 6.178 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.540 5.728 5.171 1.00 0.00 C ATOM 1291 C ASN A 88 -11.721 7.220 5.417 1.00 0.00 C ATOM 1292 O ASN A 88 -12.842 7.730 5.502 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.890 5.004 5.133 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.790 3.642 4.471 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -11.934 3.528 3.467 1.00 0.00 O flip ATOM 1296 ND2 ASN A 88 -13.486 2.699 4.850 1.00 0.00 N flip ATOM 0 H ASN A 88 -9.839 4.677 5.788 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.074 5.599 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.266 4.886 6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.614 5.616 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.135 2.824 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.414 1.793 4.387 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.596 7.908 5.533 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.586 9.346 5.750 1.00 0.00 C ATOM 1305 C ALA A 89 -10.717 10.071 4.422 1.00 0.00 C ATOM 1306 O ALA A 89 -11.188 11.205 4.356 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.309 9.764 6.461 1.00 0.00 C ATOM 0 H ALA A 89 -9.668 7.488 5.480 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.433 9.614 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.316 10.843 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.247 9.259 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.447 9.491 5.852 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.293 9.399 3.366 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.397 9.938 2.027 1.00 0.00 C ATOM 1315 C VAL A 90 -11.599 9.328 1.317 1.00 0.00 C ATOM 1316 O VAL A 90 -11.852 8.129 1.434 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.118 9.651 1.205 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.184 10.321 -0.160 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.875 10.102 1.963 1.00 0.00 C ATOM 0 H VAL A 90 -9.871 8.472 3.414 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.520 11.018 2.108 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.054 8.574 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.273 10.103 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.045 9.942 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.282 11.399 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.988 9.890 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.935 11.173 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.812 9.566 2.910 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.355 10.156 0.613 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.451 9.665 -0.211 1.00 0.00 C ATOM 1331 C ASN A 91 -12.876 9.028 -1.461 1.00 0.00 C ATOM 1332 O ASN A 91 -12.297 9.712 -2.297 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.408 10.799 -0.594 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.169 11.359 0.590 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.256 10.887 0.924 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -14.611 12.373 1.231 1.00 0.00 N ATOM 0 H ASN A 91 -12.231 11.168 0.595 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.019 8.929 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -13.841 11.601 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -15.119 10.432 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.083 12.792 2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.709 12.736 0.924 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.013 7.722 -1.578 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.374 7.000 -2.665 1.00 0.00 C ATOM 1345 C GLU A 92 -13.394 6.391 -3.613 1.00 0.00 C ATOM 1346 O GLU A 92 -14.529 6.109 -3.225 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.466 5.916 -2.097 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.419 6.463 -1.143 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.710 5.373 -0.378 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.309 4.833 0.578 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -8.568 5.044 -0.739 1.00 0.00 O ATOM 0 H GLU A 92 -13.557 7.141 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.779 7.710 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.074 5.176 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.968 5.399 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.687 7.043 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.895 7.146 -0.439 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.974 6.227 -4.861 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.804 5.641 -5.898 1.00 0.00 C ATOM 1360 C GLY A 93 -14.302 4.243 -5.573 1.00 0.00 C ATOM 1361 O GLY A 93 -15.278 4.069 -4.844 1.00 0.00 O ATOM 0 H GLY A 93 -12.044 6.499 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.662 6.290 -6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.236 5.607 -6.828 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.650 3.249 -6.154 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.101 1.863 -6.054 1.00 0.00 C ATOM 1367 C ASN A 94 -13.505 1.180 -4.823 1.00 0.00 C ATOM 1368 O ASN A 94 -12.289 1.142 -4.658 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.707 1.114 -7.329 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.353 -0.251 -7.455 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.440 -0.499 -6.929 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.694 -1.143 -8.177 1.00 0.00 N ATOM 0 H ASN A 94 -12.800 3.374 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.185 1.849 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.981 1.718 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.623 0.997 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.083 -2.076 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.797 -0.898 -8.596 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.369 0.637 -3.966 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.945 0.050 -2.691 1.00 0.00 C ATOM 1381 C GLU A 95 -12.987 -1.123 -2.891 1.00 0.00 C ATOM 1382 O GLU A 95 -12.081 -1.340 -2.086 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.152 -0.432 -1.872 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.260 0.598 -1.713 1.00 0.00 C ATOM 1385 CD GLU A 95 -17.277 0.536 -2.832 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.019 1.103 -3.912 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -18.339 -0.088 -2.635 1.00 0.00 O ATOM 0 H GLU A 95 -15.374 0.590 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.426 0.840 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.566 -1.321 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.807 -0.731 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.764 0.440 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.822 1.595 -1.680 1.00 0.00 H new ATOM 1394 N SER A 96 -13.180 -1.876 -3.964 1.00 0.00 N ATOM 1395 CA SER A 96 -12.362 -3.055 -4.223 1.00 0.00 C ATOM 1396 C SER A 96 -10.968 -2.669 -4.717 1.00 0.00 C ATOM 1397 O SER A 96 -10.119 -3.529 -4.951 1.00 0.00 O ATOM 1398 CB SER A 96 -13.061 -3.952 -5.241 1.00 0.00 C ATOM 1399 OG SER A 96 -13.537 -3.192 -6.336 1.00 0.00 O ATOM 0 H SER A 96 -13.894 -1.693 -4.669 1.00 0.00 H new ATOM 0 HA SER A 96 -12.239 -3.600 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.369 -4.716 -5.596 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.892 -4.472 -4.764 1.00 0.00 H new ATOM 0 HG SER A 96 -13.980 -3.785 -6.978 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.742 -1.371 -4.867 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.460 -0.862 -5.331 1.00 0.00 C ATOM 1407 C ASN A 97 -8.548 -0.560 -4.152 1.00 0.00 C ATOM 1408 O ASN A 97 -7.346 -0.381 -4.319 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.665 0.403 -6.166 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.222 0.115 -7.546 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.879 -0.904 -7.774 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.991 1.026 -8.474 1.00 0.00 N ATOM 0 H ASN A 97 -11.435 -0.648 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.991 -1.626 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.343 1.074 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.713 0.925 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.360 0.899 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.443 1.856 -8.248 1.00 0.00 H new ATOM 1419 N ASN A 98 -9.132 -0.531 -2.959 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.396 -0.201 -1.742 1.00 0.00 C ATOM 1421 C ASN A 98 -7.412 -1.291 -1.351 1.00 0.00 C ATOM 1422 O ASN A 98 -6.499 -1.056 -0.562 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.360 0.022 -0.573 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.013 1.384 -0.592 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.076 1.571 -1.186 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.389 2.336 0.080 1.00 0.00 N ATOM 0 H ASN A 98 -10.120 -0.734 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.840 0.712 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.134 -0.745 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.818 -0.101 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.786 3.274 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.510 2.132 0.556 1.00 0.00 H new ATOM 1433 N THR A 99 -7.592 -2.485 -1.885 1.00 0.00 N ATOM 1434 CA THR A 99 -6.823 -3.620 -1.418 1.00 0.00 C ATOM 1435 C THR A 99 -6.043 -4.290 -2.548 1.00 0.00 C ATOM 1436 O THR A 99 -6.476 -4.311 -3.699 1.00 0.00 O ATOM 1437 CB THR A 99 -7.747 -4.648 -0.748 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.830 -3.973 -0.088 1.00 0.00 O ATOM 1439 CG2 THR A 99 -6.988 -5.475 0.272 1.00 0.00 C ATOM 0 H THR A 99 -8.255 -2.691 -2.632 1.00 0.00 H new ATOM 0 HA THR A 99 -6.102 -3.244 -0.692 1.00 0.00 H new ATOM 0 HB THR A 99 -8.135 -5.309 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.511 -3.589 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.664 -6.195 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.175 -6.006 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.579 -4.819 1.040 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.890 -4.831 -2.190 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.022 -5.541 -3.122 1.00 0.00 C ATOM 1449 C LEU A 100 -3.593 -6.867 -2.514 1.00 0.00 C ATOM 1450 O LEU A 100 -2.759 -6.904 -1.609 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.781 -4.703 -3.455 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.657 -5.444 -4.189 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.083 -5.829 -5.596 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.394 -4.597 -4.223 1.00 0.00 C ATOM 0 H LEU A 100 -4.525 -4.791 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.577 -5.721 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.091 -3.855 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.379 -4.298 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.443 -6.362 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.266 -6.353 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.955 -6.481 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.333 -4.930 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.393 -5.138 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.598 -3.660 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.071 -4.384 -3.204 1.00 0.00 H new ATOM 1466 N THR A 101 -4.185 -7.945 -2.991 1.00 0.00 N ATOM 1467 CA THR A 101 -3.845 -9.272 -2.511 1.00 0.00 C ATOM 1468 C THR A 101 -2.678 -9.843 -3.315 1.00 0.00 C ATOM 1469 O THR A 101 -2.860 -10.329 -4.434 1.00 0.00 O ATOM 1470 CB THR A 101 -5.059 -10.216 -2.611 1.00 0.00 C ATOM 1471 OG1 THR A 101 -6.230 -9.547 -2.121 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.828 -11.488 -1.810 1.00 0.00 C ATOM 0 H THR A 101 -4.906 -7.928 -3.713 1.00 0.00 H new ATOM 0 HA THR A 101 -3.552 -9.190 -1.464 1.00 0.00 H new ATOM 0 HB THR A 101 -5.198 -10.488 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.002 -10.148 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.700 -12.136 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.950 -12.006 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.669 -11.234 -0.762 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.480 -9.758 -2.757 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.289 -10.233 -3.442 1.00 0.00 C ATOM 1482 C ALA A 102 0.315 -11.433 -2.724 1.00 0.00 C ATOM 1483 O ALA A 102 0.211 -11.558 -1.503 1.00 0.00 O ATOM 1484 CB ALA A 102 0.734 -9.114 -3.557 1.00 0.00 C ATOM 0 H ALA A 102 -1.307 -9.365 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.578 -10.551 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.621 -9.483 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.305 -8.286 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.010 -8.770 -2.560 1.00 0.00 H new ATOM 1490 N LEU A 103 0.936 -12.314 -3.489 1.00 0.00 N ATOM 1491 CA LEU A 103 1.583 -13.487 -2.931 1.00 0.00 C ATOM 1492 C LEU A 103 3.086 -13.395 -3.107 1.00 0.00 C ATOM 1493 O LEU A 103 3.590 -13.302 -4.226 1.00 0.00 O ATOM 1494 CB LEU A 103 1.058 -14.766 -3.582 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.349 -15.181 -3.153 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.773 -16.443 -3.884 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.402 -15.395 -1.649 1.00 0.00 C ATOM 0 H LEU A 103 1.005 -12.238 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 103 1.351 -13.524 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.067 -14.635 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.746 -15.580 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.042 -14.381 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.777 -16.726 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.769 -16.260 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.078 -17.250 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.410 -15.690 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.301 -16.180 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.134 -14.469 -1.140 1.00 0.00 H new ATOM 1509 N VAL A 104 3.797 -13.420 -1.996 1.00 0.00 N ATOM 1510 CA VAL A 104 5.245 -13.315 -2.020 1.00 0.00 C ATOM 1511 C VAL A 104 5.878 -14.640 -1.629 1.00 0.00 C ATOM 1512 O VAL A 104 5.251 -15.463 -0.955 1.00 0.00 O ATOM 1513 CB VAL A 104 5.763 -12.204 -1.077 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.171 -10.855 -1.457 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.459 -12.537 0.375 1.00 0.00 C ATOM 0 H VAL A 104 3.395 -13.512 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 104 5.529 -13.054 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 104 6.846 -12.145 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.549 -10.088 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.455 -10.608 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.084 -10.901 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.834 -11.740 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.382 -12.634 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.944 -13.476 0.642 1.00 0.00 H new ATOM 1525 N GLY A 105 7.114 -14.847 -2.049 1.00 0.00 N ATOM 1526 CA GLY A 105 7.802 -16.068 -1.711 1.00 0.00 C ATOM 1527 C GLY A 105 9.093 -15.791 -0.989 1.00 0.00 C ATOM 1528 O GLY A 105 9.524 -14.640 -0.902 1.00 0.00 O ATOM 0 H GLY A 105 7.651 -14.192 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.160 -16.688 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.006 -16.635 -2.619 1.00 0.00 H new ATOM 1532 N THR A 106 9.702 -16.824 -0.455 1.00 0.00 N ATOM 1533 CA THR A 106 11.000 -16.688 0.160 1.00 0.00 C ATOM 1534 C THR A 106 12.081 -16.711 -0.917 1.00 0.00 C ATOM 1535 O THR A 106 11.984 -17.468 -1.883 1.00 0.00 O ATOM 1536 CB THR A 106 11.234 -17.796 1.198 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.953 -19.079 0.623 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.350 -17.580 2.419 1.00 0.00 C ATOM 0 H THR A 106 9.318 -17.769 -0.434 1.00 0.00 H new ATOM 0 HA THR A 106 11.045 -15.733 0.684 1.00 0.00 H new ATOM 0 HB THR A 106 12.279 -17.760 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.107 -19.778 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.530 -18.375 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.584 -16.617 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.303 -17.594 2.117 1.00 0.00 H new ATOM 1546 N LEU A 107 13.082 -15.853 -0.764 1.00 0.00 N ATOM 1547 CA LEU A 107 14.099 -15.657 -1.791 1.00 0.00 C ATOM 1548 C LEU A 107 14.766 -16.968 -2.188 1.00 0.00 C ATOM 1549 O LEU A 107 15.372 -17.651 -1.357 1.00 0.00 O ATOM 1550 CB LEU A 107 15.157 -14.658 -1.313 1.00 0.00 C ATOM 1551 CG LEU A 107 16.161 -14.221 -2.383 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.460 -13.455 -3.496 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.268 -13.379 -1.767 1.00 0.00 C ATOM 0 H LEU A 107 13.212 -15.277 0.068 1.00 0.00 H new ATOM 0 HA LEU A 107 13.596 -15.258 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.652 -13.773 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.705 -15.101 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 107 16.611 -15.115 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.191 -13.153 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.707 -14.093 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.979 -12.569 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.971 -13.078 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.836 -12.491 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.791 -13.963 -1.010 1.00 0.00 H new