USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 777 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 21 THR OG1 : rot 140:sc= 0.611 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0247 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.221 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 14 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.41) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 23 SER OG : rot 180:sc= -0.291 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 38 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 60:sc= -1.21! USER MOD Single : A 45 THR OG1 : rot 140:sc= 0.567 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.774 F(o=-1.4!,f=-0.77) USER MOD Single : A 53 SER OG : rot 88:sc= 0.0145 USER MOD Single : A 54 GLN : amide:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.066) USER MOD Single : A 58 GLN :FLIP amide:sc= -6.7! C(o=-7.4!,f=-6.7!) USER MOD Single : A 59 ASN : amide:sc= -4.64! C(o=-4.6!,f=-5.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 67 THR OG1 : rot -172:sc= -0.201 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -100:sc= -1 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= 1.01 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 150:sc= -1.41 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0175 (180deg=-0.207) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= -2.14! USER MOD Single : A 95 SER OG : rot -174:sc= 1.07 USER MOD Single : A 97 GLN : amide:sc= -0.0078 X(o=-0.0078,f=-0.0078) USER MOD Single : A 98 SER OG : rot -100:sc= -1.34! USER MOD Single : A 100 THR OG1 : rot -146:sc= -0.13 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.143 (180deg=-0.638) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.014 -10.065 -14.254 1.00 0.00 N ATOM 2 CA GLY A 1 4.722 -11.319 -14.923 1.00 0.00 C ATOM 3 C GLY A 1 3.998 -12.301 -14.023 1.00 0.00 C ATOM 4 O GLY A 1 4.207 -12.312 -12.810 1.00 0.00 O ATOM 0 H1 GLY A 1 5.926 -9.696 -14.591 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.263 -9.377 -14.463 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.063 -10.222 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.113 -11.123 -15.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.653 -11.767 -15.270 1.00 0.00 H new ATOM 8 N SER A 2 3.144 -13.128 -14.618 1.00 0.00 N ATOM 9 CA SER A 2 2.383 -14.115 -13.861 1.00 0.00 C ATOM 10 C SER A 2 3.313 -15.023 -13.063 1.00 0.00 C ATOM 11 O SER A 2 3.162 -15.173 -11.851 1.00 0.00 O ATOM 12 CB SER A 2 1.517 -14.954 -14.803 1.00 0.00 C ATOM 13 OG SER A 2 0.625 -15.781 -14.076 1.00 0.00 O ATOM 0 H SER A 2 2.962 -13.134 -15.622 1.00 0.00 H new ATOM 0 HA SER A 2 1.737 -13.582 -13.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.952 -14.297 -15.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.155 -15.571 -15.436 1.00 0.00 H new ATOM 0 HG SER A 2 0.082 -16.305 -14.701 1.00 0.00 H new ATOM 19 N SER A 3 4.276 -15.627 -13.753 1.00 0.00 N ATOM 20 CA SER A 3 5.229 -16.524 -13.111 1.00 0.00 C ATOM 21 C SER A 3 4.517 -17.489 -12.168 1.00 0.00 C ATOM 22 O SER A 3 4.999 -17.774 -11.073 1.00 0.00 O ATOM 23 CB SER A 3 6.277 -15.720 -12.339 1.00 0.00 C ATOM 24 OG SER A 3 7.360 -15.356 -13.178 1.00 0.00 O ATOM 0 H SER A 3 4.416 -15.511 -14.757 1.00 0.00 H new ATOM 0 HA SER A 3 5.726 -17.104 -13.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.818 -14.823 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.645 -16.309 -11.499 1.00 0.00 H new ATOM 0 HG SER A 3 8.015 -14.842 -12.662 1.00 0.00 H new ATOM 30 N GLY A 4 3.365 -17.990 -12.604 1.00 0.00 N ATOM 31 CA GLY A 4 2.603 -18.918 -11.788 1.00 0.00 C ATOM 32 C GLY A 4 1.519 -18.228 -10.984 1.00 0.00 C ATOM 33 O GLY A 4 1.776 -17.231 -10.309 1.00 0.00 O ATOM 0 H GLY A 4 2.946 -17.770 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.150 -19.674 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.278 -19.439 -11.109 1.00 0.00 H new ATOM 37 N SER A 5 0.302 -18.758 -11.057 1.00 0.00 N ATOM 38 CA SER A 5 -0.826 -18.184 -10.334 1.00 0.00 C ATOM 39 C SER A 5 -1.092 -18.951 -9.043 1.00 0.00 C ATOM 40 O SER A 5 -1.749 -19.992 -9.050 1.00 0.00 O ATOM 41 CB SER A 5 -2.079 -18.192 -11.213 1.00 0.00 C ATOM 42 OG SER A 5 -1.933 -17.318 -12.318 1.00 0.00 O ATOM 0 H SER A 5 0.072 -19.584 -11.610 1.00 0.00 H new ATOM 0 HA SER A 5 -0.576 -17.154 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.271 -19.204 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.944 -17.893 -10.621 1.00 0.00 H new ATOM 0 HG SER A 5 -2.746 -17.343 -12.864 1.00 0.00 H new ATOM 48 N SER A 6 -0.575 -18.429 -7.935 1.00 0.00 N ATOM 49 CA SER A 6 -0.753 -19.065 -6.635 1.00 0.00 C ATOM 50 C SER A 6 -1.357 -18.090 -5.630 1.00 0.00 C ATOM 51 O SER A 6 -2.392 -18.366 -5.025 1.00 0.00 O ATOM 52 CB SER A 6 0.587 -19.588 -6.113 1.00 0.00 C ATOM 53 OG SER A 6 1.516 -18.531 -5.943 1.00 0.00 O ATOM 0 H SER A 6 -0.030 -17.567 -7.912 1.00 0.00 H new ATOM 0 HA SER A 6 -1.440 -19.902 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.436 -20.100 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.991 -20.323 -6.810 1.00 0.00 H new ATOM 0 HG SER A 6 2.363 -18.891 -5.607 1.00 0.00 H new ATOM 59 N GLY A 7 -0.703 -16.945 -5.458 1.00 0.00 N ATOM 60 CA GLY A 7 -1.190 -15.945 -4.526 1.00 0.00 C ATOM 61 C GLY A 7 -2.624 -15.542 -4.805 1.00 0.00 C ATOM 62 O GLY A 7 -3.329 -16.179 -5.587 1.00 0.00 O ATOM 0 H GLY A 7 0.155 -16.692 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.116 -16.333 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.551 -15.063 -4.578 1.00 0.00 H new ATOM 66 N PRO A 8 -3.075 -14.459 -4.155 1.00 0.00 N ATOM 67 CA PRO A 8 -4.439 -13.948 -4.320 1.00 0.00 C ATOM 68 C PRO A 8 -4.665 -13.335 -5.698 1.00 0.00 C ATOM 69 O PRO A 8 -3.755 -12.748 -6.284 1.00 0.00 O ATOM 70 CB PRO A 8 -4.550 -12.875 -3.234 1.00 0.00 C ATOM 71 CG PRO A 8 -3.148 -12.435 -2.991 1.00 0.00 C ATOM 72 CD PRO A 8 -2.289 -13.650 -3.208 1.00 0.00 C ATOM 0 HA PRO A 8 -5.184 -14.739 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.175 -12.044 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.002 -13.275 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.867 -11.632 -3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.030 -12.049 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.315 -13.385 -3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.108 -14.186 -2.276 1.00 0.00 H new ATOM 80 N SER A 9 -5.884 -13.475 -6.210 1.00 0.00 N ATOM 81 CA SER A 9 -6.228 -12.938 -7.521 1.00 0.00 C ATOM 82 C SER A 9 -7.115 -11.704 -7.387 1.00 0.00 C ATOM 83 O SER A 9 -8.045 -11.505 -8.168 1.00 0.00 O ATOM 84 CB SER A 9 -6.939 -14.001 -8.361 1.00 0.00 C ATOM 85 OG SER A 9 -8.230 -14.278 -7.847 1.00 0.00 O ATOM 0 H SER A 9 -6.649 -13.956 -5.737 1.00 0.00 H new ATOM 0 HA SER A 9 -5.304 -12.648 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.021 -13.659 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.346 -14.915 -8.374 1.00 0.00 H new ATOM 0 HG SER A 9 -8.664 -14.959 -8.402 1.00 0.00 H new ATOM 91 N GLY A 10 -6.819 -10.876 -6.389 1.00 0.00 N ATOM 92 CA GLY A 10 -7.598 -9.671 -6.169 1.00 0.00 C ATOM 93 C GLY A 10 -6.913 -8.703 -5.226 1.00 0.00 C ATOM 94 O GLY A 10 -6.063 -9.098 -4.428 1.00 0.00 O ATOM 0 H GLY A 10 -6.054 -11.018 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.777 -9.178 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.573 -9.941 -5.763 1.00 0.00 H new ATOM 98 N PHE A 11 -7.283 -7.429 -5.316 1.00 0.00 N ATOM 99 CA PHE A 11 -6.697 -6.401 -4.465 1.00 0.00 C ATOM 100 C PHE A 11 -7.740 -5.821 -3.515 1.00 0.00 C ATOM 101 O PHE A 11 -8.944 -5.871 -3.769 1.00 0.00 O ATOM 102 CB PHE A 11 -6.093 -5.284 -5.320 1.00 0.00 C ATOM 103 CG PHE A 11 -6.982 -4.846 -6.449 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.037 -5.573 -7.627 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.764 -3.708 -6.331 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.854 -5.171 -8.667 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.583 -3.302 -7.367 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.629 -4.035 -8.537 1.00 0.00 C ATOM 0 H PHE A 11 -7.986 -7.085 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.908 -6.863 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.878 -4.426 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.141 -5.624 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.435 -6.463 -7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.733 -3.132 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.886 -5.745 -9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.187 -2.413 -7.262 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.269 -3.721 -9.348 1.00 0.00 H new ATOM 118 N PRO A 12 -7.269 -5.257 -2.393 1.00 0.00 N ATOM 119 CA PRO A 12 -8.144 -4.656 -1.381 1.00 0.00 C ATOM 120 C PRO A 12 -8.798 -3.369 -1.871 1.00 0.00 C ATOM 121 O PRO A 12 -8.495 -2.884 -2.961 1.00 0.00 O ATOM 122 CB PRO A 12 -7.193 -4.365 -0.218 1.00 0.00 C ATOM 123 CG PRO A 12 -5.853 -4.221 -0.851 1.00 0.00 C ATOM 124 CD PRO A 12 -5.847 -5.161 -2.025 1.00 0.00 C ATOM 0 HA PRO A 12 -8.973 -5.312 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.481 -3.456 0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.201 -5.174 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.682 -3.194 -1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.060 -4.471 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.245 -4.774 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.434 -6.134 -1.758 1.00 0.00 H new ATOM 132 N GLN A 13 -9.695 -2.820 -1.059 1.00 0.00 N ATOM 133 CA GLN A 13 -10.391 -1.588 -1.411 1.00 0.00 C ATOM 134 C GLN A 13 -10.311 -0.573 -0.275 1.00 0.00 C ATOM 135 O GLN A 13 -9.707 -0.837 0.764 1.00 0.00 O ATOM 136 CB GLN A 13 -11.855 -1.882 -1.745 1.00 0.00 C ATOM 137 CG GLN A 13 -12.074 -3.252 -2.366 1.00 0.00 C ATOM 138 CD GLN A 13 -11.668 -3.302 -3.826 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.131 -2.335 -4.367 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.923 -4.433 -4.473 1.00 0.00 N ATOM 0 H GLN A 13 -9.957 -3.209 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.903 -1.163 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.449 -1.806 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.223 -1.119 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.504 -3.995 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.126 -3.524 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.370 -5.210 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.672 -4.525 -5.457 1.00 0.00 H new ATOM 149 N ASN A 14 -10.923 0.588 -0.480 1.00 0.00 N ATOM 150 CA ASN A 14 -10.920 1.643 0.526 1.00 0.00 C ATOM 151 C ASN A 14 -9.496 2.091 0.840 1.00 0.00 C ATOM 152 O ASN A 14 -9.205 2.544 1.948 1.00 0.00 O ATOM 153 CB ASN A 14 -11.607 1.159 1.805 1.00 0.00 C ATOM 154 CG ASN A 14 -13.096 1.445 1.805 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.625 2.041 2.743 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.780 1.020 0.749 1.00 0.00 N ATOM 0 H ASN A 14 -11.428 0.822 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.470 2.494 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.446 0.087 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.147 1.643 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.785 1.184 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.300 0.530 -0.006 1.00 0.00 H new ATOM 163 N LEU A 15 -8.611 1.962 -0.143 1.00 0.00 N ATOM 164 CA LEU A 15 -7.216 2.355 0.026 1.00 0.00 C ATOM 165 C LEU A 15 -7.059 3.868 -0.082 1.00 0.00 C ATOM 166 O LEU A 15 -7.171 4.438 -1.169 1.00 0.00 O ATOM 167 CB LEU A 15 -6.341 1.663 -1.020 1.00 0.00 C ATOM 168 CG LEU A 15 -4.832 1.855 -0.865 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.348 1.245 0.441 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.092 1.245 -2.047 1.00 0.00 C ATOM 0 H LEU A 15 -8.835 1.588 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.895 2.046 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.556 0.595 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.634 2.024 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.622 2.924 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.272 1.391 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.853 1.728 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.571 0.178 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.019 1.391 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.309 0.178 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.417 1.728 -2.968 1.00 0.00 H new ATOM 182 N HIS A 16 -6.797 4.514 1.050 1.00 0.00 N ATOM 183 CA HIS A 16 -6.622 5.961 1.081 1.00 0.00 C ATOM 184 C HIS A 16 -5.834 6.386 2.317 1.00 0.00 C ATOM 185 O HIS A 16 -5.447 5.553 3.136 1.00 0.00 O ATOM 186 CB HIS A 16 -7.981 6.662 1.062 1.00 0.00 C ATOM 187 CG HIS A 16 -8.969 6.077 2.023 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.047 5.315 1.624 1.00 0.00 N ATOM 189 CD2 HIS A 16 -9.038 6.145 3.373 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.737 4.941 2.687 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.145 5.431 3.761 1.00 0.00 N ATOM 0 H HIS A 16 -6.701 4.058 1.957 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.059 6.253 0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.840 7.717 1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.393 6.611 0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.350 6.664 4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.633 4.337 2.679 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.459 5.300 4.723 1.00 0.00 H new ATOM 200 N VAL A 17 -5.601 7.689 2.445 1.00 0.00 N ATOM 201 CA VAL A 17 -4.860 8.225 3.581 1.00 0.00 C ATOM 202 C VAL A 17 -5.795 8.898 4.578 1.00 0.00 C ATOM 203 O VAL A 17 -6.510 9.842 4.238 1.00 0.00 O ATOM 204 CB VAL A 17 -3.794 9.239 3.127 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.146 9.907 4.330 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.747 8.559 2.257 1.00 0.00 C ATOM 0 H VAL A 17 -5.915 8.392 1.776 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.366 7.382 4.064 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.282 10.011 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.395 10.620 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.907 10.430 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.671 9.150 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.002 9.291 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.261 7.766 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.227 8.133 1.376 1.00 0.00 H new ATOM 216 N THR A 18 -5.786 8.408 5.814 1.00 0.00 N ATOM 217 CA THR A 18 -6.634 8.962 6.862 1.00 0.00 C ATOM 218 C THR A 18 -6.069 10.276 7.389 1.00 0.00 C ATOM 219 O THR A 18 -6.799 11.101 7.937 1.00 0.00 O ATOM 220 CB THR A 18 -6.792 7.977 8.036 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.746 8.485 8.976 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.459 7.747 8.732 1.00 0.00 C ATOM 0 H THR A 18 -5.201 7.628 6.114 1.00 0.00 H new ATOM 0 HA THR A 18 -7.611 9.143 6.415 1.00 0.00 H new ATOM 0 HB THR A 18 -7.145 7.025 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.842 7.853 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.595 7.048 9.557 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.744 7.334 8.021 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.081 8.694 9.117 1.00 0.00 H new ATOM 230 N GLY A 19 -4.764 10.465 7.219 1.00 0.00 N ATOM 231 CA GLY A 19 -4.124 11.682 7.682 1.00 0.00 C ATOM 232 C GLY A 19 -2.638 11.705 7.384 1.00 0.00 C ATOM 233 O GLY A 19 -1.824 11.291 8.211 1.00 0.00 O ATOM 0 H GLY A 19 -4.139 9.797 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.600 12.541 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.278 11.784 8.756 1.00 0.00 H new ATOM 237 N LEU A 20 -2.281 12.189 6.199 1.00 0.00 N ATOM 238 CA LEU A 20 -0.882 12.263 5.793 1.00 0.00 C ATOM 239 C LEU A 20 -0.112 13.247 6.668 1.00 0.00 C ATOM 240 O LEU A 20 -0.701 13.984 7.460 1.00 0.00 O ATOM 241 CB LEU A 20 -0.778 12.679 4.325 1.00 0.00 C ATOM 242 CG LEU A 20 -1.564 13.927 3.924 1.00 0.00 C ATOM 243 CD1 LEU A 20 -2.995 13.564 3.559 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.543 14.954 5.046 1.00 0.00 C ATOM 0 H LEU A 20 -2.941 12.536 5.503 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.441 11.274 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.273 12.845 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.116 11.847 3.708 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.088 14.366 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.538 14.466 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.991 12.865 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.483 13.100 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.107 15.836 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.994 14.525 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.513 15.239 5.260 1.00 0.00 H new ATOM 256 N THR A 21 1.209 13.256 6.518 1.00 0.00 N ATOM 257 CA THR A 21 2.060 14.151 7.293 1.00 0.00 C ATOM 258 C THR A 21 3.201 14.697 6.443 1.00 0.00 C ATOM 259 O THR A 21 3.598 14.086 5.450 1.00 0.00 O ATOM 260 CB THR A 21 2.648 13.439 8.526 1.00 0.00 C ATOM 261 OG1 THR A 21 1.693 12.514 9.058 1.00 0.00 O ATOM 262 CG2 THR A 21 3.039 14.446 9.597 1.00 0.00 C ATOM 0 H THR A 21 1.713 12.654 5.867 1.00 0.00 H new ATOM 0 HA THR A 21 1.431 14.977 7.625 1.00 0.00 H new ATOM 0 HB THR A 21 3.542 12.899 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.151 11.690 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.452 13.920 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.787 15.130 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.159 15.010 9.905 1.00 0.00 H new ATOM 270 N THR A 22 3.728 15.852 6.839 1.00 0.00 N ATOM 271 CA THR A 22 4.824 16.481 6.113 1.00 0.00 C ATOM 272 C THR A 22 5.877 15.455 5.711 1.00 0.00 C ATOM 273 O THR A 22 6.244 15.353 4.540 1.00 0.00 O ATOM 274 CB THR A 22 5.494 17.585 6.953 1.00 0.00 C ATOM 275 OG1 THR A 22 5.991 17.035 8.178 1.00 0.00 O ATOM 276 CG2 THR A 22 4.511 18.705 7.256 1.00 0.00 C ATOM 0 H THR A 22 3.413 16.371 7.659 1.00 0.00 H new ATOM 0 HA THR A 22 4.394 16.927 5.216 1.00 0.00 H new ATOM 0 HB THR A 22 6.323 17.996 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.417 17.743 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.006 19.473 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.157 19.141 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.664 18.305 7.814 1.00 0.00 H new ATOM 284 N SER A 23 6.360 14.695 6.689 1.00 0.00 N ATOM 285 CA SER A 23 7.375 13.678 6.437 1.00 0.00 C ATOM 286 C SER A 23 6.742 12.294 6.333 1.00 0.00 C ATOM 287 O SER A 23 7.049 11.523 5.422 1.00 0.00 O ATOM 288 CB SER A 23 8.425 13.689 7.549 1.00 0.00 C ATOM 289 OG SER A 23 7.868 13.266 8.781 1.00 0.00 O ATOM 0 H SER A 23 6.065 14.764 7.663 1.00 0.00 H new ATOM 0 HA SER A 23 7.859 13.910 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.254 13.035 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.834 14.694 7.657 1.00 0.00 H new ATOM 0 HG SER A 23 8.560 13.280 9.475 1.00 0.00 H new ATOM 295 N THR A 24 5.855 11.983 7.273 1.00 0.00 N ATOM 296 CA THR A 24 5.179 10.692 7.290 1.00 0.00 C ATOM 297 C THR A 24 3.812 10.779 6.619 1.00 0.00 C ATOM 298 O THR A 24 3.336 11.866 6.293 1.00 0.00 O ATOM 299 CB THR A 24 5.000 10.170 8.728 1.00 0.00 C ATOM 300 OG1 THR A 24 3.952 10.891 9.384 1.00 0.00 O ATOM 301 CG2 THR A 24 6.292 10.310 9.519 1.00 0.00 C ATOM 0 H THR A 24 5.588 12.608 8.033 1.00 0.00 H new ATOM 0 HA THR A 24 5.810 9.997 6.736 1.00 0.00 H new ATOM 0 HB THR A 24 4.736 9.114 8.678 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.843 10.552 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.141 9.935 10.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.080 9.735 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.581 11.360 9.560 1.00 0.00 H new ATOM 309 N THR A 25 3.184 9.625 6.416 1.00 0.00 N ATOM 310 CA THR A 25 1.872 9.570 5.784 1.00 0.00 C ATOM 311 C THR A 25 1.076 8.364 6.271 1.00 0.00 C ATOM 312 O THR A 25 1.476 7.220 6.061 1.00 0.00 O ATOM 313 CB THR A 25 1.989 9.507 4.250 1.00 0.00 C ATOM 314 OG1 THR A 25 2.155 10.826 3.717 1.00 0.00 O ATOM 315 CG2 THR A 25 0.756 8.859 3.638 1.00 0.00 C ATOM 0 H THR A 25 3.563 8.716 6.680 1.00 0.00 H new ATOM 0 HA THR A 25 1.349 10.484 6.064 1.00 0.00 H new ATOM 0 HB THR A 25 2.860 8.901 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.230 10.777 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.863 8.826 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.649 7.845 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.128 9.441 3.898 1.00 0.00 H new ATOM 323 N GLU A 26 -0.052 8.629 6.923 1.00 0.00 N ATOM 324 CA GLU A 26 -0.903 7.563 7.440 1.00 0.00 C ATOM 325 C GLU A 26 -1.689 6.900 6.313 1.00 0.00 C ATOM 326 O GLU A 26 -1.868 7.479 5.240 1.00 0.00 O ATOM 327 CB GLU A 26 -1.866 8.115 8.492 1.00 0.00 C ATOM 328 CG GLU A 26 -1.276 8.164 9.892 1.00 0.00 C ATOM 329 CD GLU A 26 -2.328 8.022 10.974 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.326 7.308 10.742 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.154 8.626 12.054 1.00 0.00 O ATOM 0 H GLU A 26 -0.397 9.571 7.106 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.262 6.813 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.172 9.120 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.766 7.500 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.540 7.368 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.747 9.108 10.026 1.00 0.00 H new ATOM 338 N LEU A 27 -2.156 5.682 6.563 1.00 0.00 N ATOM 339 CA LEU A 27 -2.923 4.938 5.570 1.00 0.00 C ATOM 340 C LEU A 27 -4.034 4.131 6.233 1.00 0.00 C ATOM 341 O LEU A 27 -4.024 3.921 7.446 1.00 0.00 O ATOM 342 CB LEU A 27 -2.003 4.006 4.779 1.00 0.00 C ATOM 343 CG LEU A 27 -0.784 4.660 4.129 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.166 3.602 3.589 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.215 5.608 3.019 1.00 0.00 C ATOM 0 H LEU A 27 -2.017 5.188 7.445 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.378 5.655 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.655 3.219 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.591 3.524 3.998 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.258 5.237 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.028 4.087 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.502 2.963 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.349 2.997 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.334 6.064 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.765 5.053 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.855 6.387 3.434 1.00 0.00 H new ATOM 357 N ALA A 28 -4.991 3.678 5.429 1.00 0.00 N ATOM 358 CA ALA A 28 -6.107 2.890 5.937 1.00 0.00 C ATOM 359 C ALA A 28 -6.908 2.273 4.796 1.00 0.00 C ATOM 360 O ALA A 28 -7.590 2.977 4.052 1.00 0.00 O ATOM 361 CB ALA A 28 -7.007 3.752 6.810 1.00 0.00 C ATOM 0 H ALA A 28 -5.015 3.844 4.423 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.701 2.079 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.836 3.151 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.434 4.141 7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.397 4.583 6.222 1.00 0.00 H new ATOM 367 N TRP A 29 -6.819 0.954 4.663 1.00 0.00 N ATOM 368 CA TRP A 29 -7.535 0.242 3.611 1.00 0.00 C ATOM 369 C TRP A 29 -8.303 -0.944 4.182 1.00 0.00 C ATOM 370 O TRP A 29 -8.192 -1.255 5.368 1.00 0.00 O ATOM 371 CB TRP A 29 -6.559 -0.237 2.535 1.00 0.00 C ATOM 372 CG TRP A 29 -5.526 -1.192 3.053 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.610 -2.555 3.077 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.257 -0.855 3.623 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.468 -3.086 3.627 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.622 -2.064 3.969 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.593 0.349 3.872 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.358 -2.100 4.553 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.339 0.311 4.451 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.732 -0.906 4.785 1.00 0.00 C ATOM 0 H TRP A 29 -6.258 0.357 5.270 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.250 0.932 3.162 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.120 -0.719 1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.058 0.627 2.098 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.450 -3.131 2.717 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.281 -4.080 3.759 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.052 1.293 3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.889 -3.037 4.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.818 1.236 4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.750 -0.902 5.235 1.00 0.00 H new ATOM 391 N ASP A 30 -9.083 -1.604 3.332 1.00 0.00 N ATOM 392 CA ASP A 30 -9.869 -2.758 3.753 1.00 0.00 C ATOM 393 C ASP A 30 -9.421 -4.018 3.019 1.00 0.00 C ATOM 394 O ASP A 30 -8.815 -3.960 1.948 1.00 0.00 O ATOM 395 CB ASP A 30 -11.356 -2.507 3.501 1.00 0.00 C ATOM 396 CG ASP A 30 -11.814 -3.042 2.158 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.438 -2.450 1.125 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.549 -4.052 2.141 1.00 0.00 O ATOM 0 H ASP A 30 -9.188 -1.359 2.347 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.709 -2.906 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.940 -2.975 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.554 -1.436 3.549 1.00 0.00 H new ATOM 403 N PRO A 31 -9.723 -5.185 3.607 1.00 0.00 N ATOM 404 CA PRO A 31 -9.361 -6.481 3.026 1.00 0.00 C ATOM 405 C PRO A 31 -10.160 -6.796 1.766 1.00 0.00 C ATOM 406 O PRO A 31 -11.230 -6.237 1.525 1.00 0.00 O ATOM 407 CB PRO A 31 -9.702 -7.476 4.138 1.00 0.00 C ATOM 408 CG PRO A 31 -10.757 -6.798 4.942 1.00 0.00 C ATOM 409 CD PRO A 31 -10.443 -5.329 4.883 1.00 0.00 C ATOM 0 HA PRO A 31 -8.317 -6.510 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.062 -8.420 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.827 -7.705 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.748 -7.002 4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.754 -7.157 5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.349 -4.723 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.830 -5.015 5.728 1.00 0.00 H new ATOM 417 N PRO A 32 -9.631 -7.712 0.942 1.00 0.00 N ATOM 418 CA PRO A 32 -10.279 -8.123 -0.307 1.00 0.00 C ATOM 419 C PRO A 32 -11.548 -8.933 -0.062 1.00 0.00 C ATOM 420 O PRO A 32 -11.547 -9.886 0.717 1.00 0.00 O ATOM 421 CB PRO A 32 -9.217 -8.986 -0.991 1.00 0.00 C ATOM 422 CG PRO A 32 -8.372 -9.501 0.123 1.00 0.00 C ATOM 423 CD PRO A 32 -8.358 -8.418 1.166 1.00 0.00 C ATOM 0 HA PRO A 32 -10.599 -7.267 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.672 -9.802 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.627 -8.402 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.781 -10.427 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.362 -9.723 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.299 -8.831 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.503 -7.753 1.044 1.00 0.00 H new ATOM 431 N VAL A 33 -12.629 -8.548 -0.733 1.00 0.00 N ATOM 432 CA VAL A 33 -13.904 -9.240 -0.589 1.00 0.00 C ATOM 433 C VAL A 33 -13.725 -10.750 -0.691 1.00 0.00 C ATOM 434 O VAL A 33 -12.962 -11.241 -1.524 1.00 0.00 O ATOM 435 CB VAL A 33 -14.915 -8.781 -1.656 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.408 -7.373 -1.356 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.295 -8.852 -3.043 1.00 0.00 C ATOM 0 H VAL A 33 -12.647 -7.761 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.290 -8.989 0.399 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.772 -9.453 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.121 -7.067 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.893 -7.358 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.563 -6.685 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.024 -8.524 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.419 -8.204 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.997 -9.879 -3.256 1.00 0.00 H new ATOM 447 N LEU A 34 -14.432 -11.483 0.161 1.00 0.00 N ATOM 448 CA LEU A 34 -14.352 -12.940 0.167 1.00 0.00 C ATOM 449 C LEU A 34 -14.464 -13.498 -1.248 1.00 0.00 C ATOM 450 O LEU A 34 -13.843 -14.507 -1.579 1.00 0.00 O ATOM 451 CB LEU A 34 -15.456 -13.528 1.048 1.00 0.00 C ATOM 452 CG LEU A 34 -16.865 -13.518 0.454 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.739 -14.559 1.136 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.486 -12.134 0.578 1.00 0.00 C ATOM 0 H LEU A 34 -15.067 -11.093 0.857 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.381 -13.224 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.192 -14.558 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.476 -12.976 1.988 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.794 -13.769 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.738 -14.537 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.303 -15.548 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.803 -14.339 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.488 -12.145 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.543 -11.854 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.871 -11.410 0.043 1.00 0.00 H new ATOM 466 N ALA A 35 -15.258 -12.831 -2.080 1.00 0.00 N ATOM 467 CA ALA A 35 -15.448 -13.258 -3.461 1.00 0.00 C ATOM 468 C ALA A 35 -14.114 -13.366 -4.190 1.00 0.00 C ATOM 469 O ALA A 35 -13.861 -14.339 -4.899 1.00 0.00 O ATOM 470 CB ALA A 35 -16.373 -12.293 -4.188 1.00 0.00 C ATOM 0 H ALA A 35 -15.780 -11.993 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.907 -14.247 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.507 -12.623 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.340 -12.269 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.936 -11.295 -4.181 1.00 0.00 H new ATOM 476 N GLU A 36 -13.264 -12.359 -4.012 1.00 0.00 N ATOM 477 CA GLU A 36 -11.955 -12.342 -4.655 1.00 0.00 C ATOM 478 C GLU A 36 -10.839 -12.467 -3.623 1.00 0.00 C ATOM 479 O GLU A 36 -10.008 -11.571 -3.479 1.00 0.00 O ATOM 480 CB GLU A 36 -11.776 -11.054 -5.462 1.00 0.00 C ATOM 481 CG GLU A 36 -12.641 -10.992 -6.710 1.00 0.00 C ATOM 482 CD GLU A 36 -11.977 -11.634 -7.912 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.088 -10.994 -8.512 1.00 0.00 O ATOM 484 OE2 GLU A 36 -12.346 -12.778 -8.252 1.00 0.00 O ATOM 0 H GLU A 36 -13.458 -11.545 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.899 -13.197 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.010 -10.201 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.729 -10.959 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.590 -11.491 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.869 -9.951 -6.938 1.00 0.00 H new ATOM 491 N ARG A 37 -10.828 -13.586 -2.905 1.00 0.00 N ATOM 492 CA ARG A 37 -9.816 -13.829 -1.885 1.00 0.00 C ATOM 493 C ARG A 37 -8.834 -14.906 -2.338 1.00 0.00 C ATOM 494 O ARG A 37 -7.623 -14.761 -2.179 1.00 0.00 O ATOM 495 CB ARG A 37 -10.477 -14.248 -0.570 1.00 0.00 C ATOM 496 CG ARG A 37 -10.850 -13.077 0.324 1.00 0.00 C ATOM 497 CD ARG A 37 -11.298 -13.547 1.699 1.00 0.00 C ATOM 498 NE ARG A 37 -11.885 -12.463 2.483 1.00 0.00 N ATOM 499 CZ ARG A 37 -12.419 -12.633 3.687 1.00 0.00 C ATOM 500 NH1 ARG A 37 -12.440 -13.837 4.243 1.00 0.00 N ATOM 501 NH2 ARG A 37 -12.934 -11.598 4.339 1.00 0.00 N ATOM 0 H ARG A 37 -11.509 -14.338 -3.011 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.265 -12.902 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.375 -14.825 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.800 -14.908 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.994 -12.410 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.649 -12.501 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.027 -14.350 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.445 -13.962 2.236 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.885 -11.524 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.045 -14.635 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.851 -13.965 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.920 -10.670 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.344 -11.730 5.264 1.00 0.00 H new ATOM 515 N ASN A 38 -9.366 -15.985 -2.902 1.00 0.00 N ATOM 516 CA ASN A 38 -8.537 -17.087 -3.378 1.00 0.00 C ATOM 517 C ASN A 38 -7.841 -17.785 -2.214 1.00 0.00 C ATOM 518 O ASN A 38 -6.781 -18.387 -2.382 1.00 0.00 O ATOM 519 CB ASN A 38 -7.497 -16.575 -4.376 1.00 0.00 C ATOM 520 CG ASN A 38 -7.123 -17.621 -5.409 1.00 0.00 C ATOM 521 OD1 ASN A 38 -7.331 -18.817 -5.200 1.00 0.00 O ATOM 522 ND2 ASN A 38 -6.567 -17.175 -6.529 1.00 0.00 N ATOM 0 H ASN A 38 -10.367 -16.120 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.185 -17.808 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.887 -15.692 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.602 -16.264 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.293 -17.832 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.414 -16.175 -6.659 1.00 0.00 H new ATOM 529 N GLY A 39 -8.445 -17.700 -1.032 1.00 0.00 N ATOM 530 CA GLY A 39 -7.869 -18.328 0.142 1.00 0.00 C ATOM 531 C GLY A 39 -7.980 -17.458 1.379 1.00 0.00 C ATOM 532 O GLY A 39 -9.068 -17.001 1.729 1.00 0.00 O ATOM 0 H GLY A 39 -9.323 -17.207 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.370 -19.279 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.819 -18.552 -0.048 1.00 0.00 H new ATOM 536 N ARG A 40 -6.852 -17.229 2.042 1.00 0.00 N ATOM 537 CA ARG A 40 -6.827 -16.410 3.248 1.00 0.00 C ATOM 538 C ARG A 40 -5.684 -15.401 3.197 1.00 0.00 C ATOM 539 O ARG A 40 -4.699 -15.600 2.486 1.00 0.00 O ATOM 540 CB ARG A 40 -6.686 -17.294 4.488 1.00 0.00 C ATOM 541 CG ARG A 40 -5.470 -18.206 4.451 1.00 0.00 C ATOM 542 CD ARG A 40 -5.798 -19.546 3.811 1.00 0.00 C ATOM 543 NE ARG A 40 -6.461 -20.451 4.745 1.00 0.00 N ATOM 544 CZ ARG A 40 -6.701 -21.731 4.483 1.00 0.00 C ATOM 545 NH1 ARG A 40 -6.334 -22.253 3.321 1.00 0.00 N ATOM 546 NH2 ARG A 40 -7.309 -22.491 5.385 1.00 0.00 N ATOM 0 H ARG A 40 -5.943 -17.599 1.765 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.768 -15.864 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.626 -16.659 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.584 -17.903 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.668 -17.722 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.103 -18.366 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.439 -19.386 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.880 -20.009 3.448 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.756 -20.080 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.866 -21.672 2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.519 -23.236 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.592 -22.092 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.493 -23.474 5.183 1.00 0.00 H new ATOM 560 N ILE A 41 -5.823 -14.318 3.955 1.00 0.00 N ATOM 561 CA ILE A 41 -4.801 -13.279 3.997 1.00 0.00 C ATOM 562 C ILE A 41 -3.906 -13.437 5.221 1.00 0.00 C ATOM 563 O ILE A 41 -4.322 -13.991 6.239 1.00 0.00 O ATOM 564 CB ILE A 41 -5.429 -11.873 4.011 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.667 -11.834 3.113 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.412 -10.834 3.565 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.389 -12.238 1.682 1.00 0.00 C ATOM 0 H ILE A 41 -6.633 -14.137 4.548 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.200 -13.390 3.095 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.735 -11.639 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.427 -12.496 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.082 -10.826 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.871 -9.846 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.557 -10.848 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.078 -11.063 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.312 -12.187 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.652 -11.561 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.003 -13.257 1.660 1.00 0.00 H new ATOM 579 N ILE A 42 -2.677 -12.944 5.115 1.00 0.00 N ATOM 580 CA ILE A 42 -1.724 -13.027 6.215 1.00 0.00 C ATOM 581 C ILE A 42 -1.063 -11.677 6.474 1.00 0.00 C ATOM 582 O ILE A 42 -0.730 -11.345 7.611 1.00 0.00 O ATOM 583 CB ILE A 42 -0.631 -14.075 5.935 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.123 -13.942 4.498 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.165 -15.478 6.186 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.059 -14.835 4.190 1.00 0.00 C ATOM 0 H ILE A 42 -2.318 -12.483 4.279 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.288 -13.328 7.098 1.00 0.00 H new ATOM 0 HB ILE A 42 0.203 -13.898 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.935 -14.178 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.158 -12.905 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.381 -16.207 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.483 -15.566 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.014 -15.667 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.366 -14.688 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.887 -14.584 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.777 -15.877 4.341 1.00 0.00 H new ATOM 598 N SER A 43 -0.878 -10.902 5.410 1.00 0.00 N ATOM 599 CA SER A 43 -0.256 -9.588 5.521 1.00 0.00 C ATOM 600 C SER A 43 -0.424 -8.796 4.228 1.00 0.00 C ATOM 601 O SER A 43 -0.992 -9.290 3.254 1.00 0.00 O ATOM 602 CB SER A 43 1.230 -9.731 5.856 1.00 0.00 C ATOM 603 OG SER A 43 1.841 -10.724 5.050 1.00 0.00 O ATOM 0 H SER A 43 -1.150 -11.161 4.462 1.00 0.00 H new ATOM 0 HA SER A 43 -0.752 -9.045 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.733 -8.776 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.346 -9.990 6.908 1.00 0.00 H new ATOM 0 HG SER A 43 2.790 -10.795 5.282 1.00 0.00 H new ATOM 609 N TYR A 44 0.074 -7.564 4.227 1.00 0.00 N ATOM 610 CA TYR A 44 -0.023 -6.702 3.056 1.00 0.00 C ATOM 611 C TYR A 44 1.269 -5.916 2.850 1.00 0.00 C ATOM 612 O TYR A 44 2.029 -5.688 3.792 1.00 0.00 O ATOM 613 CB TYR A 44 -1.202 -5.738 3.202 1.00 0.00 C ATOM 614 CG TYR A 44 -2.539 -6.432 3.324 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.855 -7.181 4.450 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.488 -6.338 2.312 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.076 -7.818 4.565 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.712 -6.970 2.420 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.001 -7.709 3.548 1.00 0.00 C ATOM 620 OH TYR A 44 -6.218 -8.340 3.659 1.00 0.00 O ATOM 0 H TYR A 44 0.549 -7.141 5.024 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.186 -7.334 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.044 -5.115 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.225 -5.072 2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.134 -7.267 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.265 -5.761 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.305 -8.398 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.438 -6.886 1.625 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.691 -8.003 4.448 1.00 0.00 H new ATOM 630 N THR A 45 1.511 -5.502 1.610 1.00 0.00 N ATOM 631 CA THR A 45 2.710 -4.742 1.279 1.00 0.00 C ATOM 632 C THR A 45 2.354 -3.348 0.774 1.00 0.00 C ATOM 633 O THR A 45 1.677 -3.199 -0.243 1.00 0.00 O ATOM 634 CB THR A 45 3.554 -5.462 0.211 1.00 0.00 C ATOM 635 OG1 THR A 45 3.969 -6.744 0.697 1.00 0.00 O ATOM 636 CG2 THR A 45 4.776 -4.636 -0.161 1.00 0.00 C ATOM 0 H THR A 45 0.893 -5.680 0.819 1.00 0.00 H new ATOM 0 HA THR A 45 3.294 -4.656 2.196 1.00 0.00 H new ATOM 0 HB THR A 45 2.939 -5.593 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.911 -7.403 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.356 -5.165 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.457 -3.672 -0.558 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.392 -4.478 0.724 1.00 0.00 H new ATOM 644 N VAL A 46 2.817 -2.328 1.491 1.00 0.00 N ATOM 645 CA VAL A 46 2.549 -0.945 1.115 1.00 0.00 C ATOM 646 C VAL A 46 3.711 -0.357 0.321 1.00 0.00 C ATOM 647 O VAL A 46 4.681 0.137 0.895 1.00 0.00 O ATOM 648 CB VAL A 46 2.290 -0.067 2.353 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.017 1.371 1.940 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.134 -0.624 3.169 1.00 0.00 C ATOM 0 H VAL A 46 3.379 -2.434 2.335 1.00 0.00 H new ATOM 0 HA VAL A 46 1.655 -0.953 0.492 1.00 0.00 H new ATOM 0 HB VAL A 46 3.183 -0.077 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.836 1.977 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.879 1.765 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.140 1.404 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.965 0.009 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.233 -0.646 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.374 -1.635 3.497 1.00 0.00 H new ATOM 660 N VAL A 47 3.604 -0.413 -1.002 1.00 0.00 N ATOM 661 CA VAL A 47 4.645 0.116 -1.876 1.00 0.00 C ATOM 662 C VAL A 47 4.439 1.603 -2.138 1.00 0.00 C ATOM 663 O VAL A 47 3.479 2.001 -2.798 1.00 0.00 O ATOM 664 CB VAL A 47 4.681 -0.631 -3.222 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.735 -0.030 -4.139 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.937 -2.115 -3.002 1.00 0.00 C ATOM 0 H VAL A 47 2.807 -0.819 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 47 5.595 -0.031 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 47 3.710 -0.521 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.745 -0.571 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.502 1.019 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.714 -0.106 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.959 -2.627 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.894 -2.248 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.141 -2.534 -2.386 1.00 0.00 H new ATOM 676 N PHE A 48 5.348 2.421 -1.617 1.00 0.00 N ATOM 677 CA PHE A 48 5.266 3.866 -1.794 1.00 0.00 C ATOM 678 C PHE A 48 6.471 4.388 -2.571 1.00 0.00 C ATOM 679 O PHE A 48 7.610 4.003 -2.304 1.00 0.00 O ATOM 680 CB PHE A 48 5.181 4.564 -0.434 1.00 0.00 C ATOM 681 CG PHE A 48 6.307 4.209 0.494 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.369 2.955 1.081 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.304 5.127 0.778 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.403 2.626 1.936 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.341 4.804 1.632 1.00 0.00 C ATOM 686 CZ PHE A 48 8.392 3.551 2.211 1.00 0.00 C ATOM 0 H PHE A 48 6.149 2.108 -1.069 1.00 0.00 H new ATOM 0 HA PHE A 48 4.364 4.086 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.175 5.643 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.235 4.304 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.600 2.227 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.271 6.107 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.438 1.646 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.111 5.530 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.203 3.295 2.877 1.00 0.00 H new ATOM 696 N ARG A 49 6.212 5.267 -3.533 1.00 0.00 N ATOM 697 CA ARG A 49 7.274 5.840 -4.351 1.00 0.00 C ATOM 698 C ARG A 49 6.866 7.208 -4.891 1.00 0.00 C ATOM 699 O ARG A 49 5.763 7.377 -5.411 1.00 0.00 O ATOM 700 CB ARG A 49 7.616 4.903 -5.511 1.00 0.00 C ATOM 701 CG ARG A 49 8.512 5.538 -6.562 1.00 0.00 C ATOM 702 CD ARG A 49 8.486 4.751 -7.864 1.00 0.00 C ATOM 703 NE ARG A 49 7.124 4.463 -8.302 1.00 0.00 N ATOM 704 CZ ARG A 49 6.376 5.319 -8.990 1.00 0.00 C ATOM 705 NH1 ARG A 49 6.858 6.510 -9.317 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.145 4.983 -9.353 1.00 0.00 N ATOM 0 H ARG A 49 5.276 5.598 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 49 8.156 5.965 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.107 4.014 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.692 4.573 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.188 6.562 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.534 5.590 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.004 5.315 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.030 3.816 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 49 6.724 3.555 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.805 6.771 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.282 7.166 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.772 4.067 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.572 5.641 -9.881 1.00 0.00 H new ATOM 720 N ASP A 50 7.762 8.180 -4.764 1.00 0.00 N ATOM 721 CA ASP A 50 7.496 9.532 -5.240 1.00 0.00 C ATOM 722 C ASP A 50 7.404 9.565 -6.762 1.00 0.00 C ATOM 723 O ASP A 50 8.368 9.244 -7.459 1.00 0.00 O ATOM 724 CB ASP A 50 8.590 10.488 -4.762 1.00 0.00 C ATOM 725 CG ASP A 50 8.561 11.815 -5.496 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.462 12.390 -5.638 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.637 12.277 -5.930 1.00 0.00 O ATOM 0 H ASP A 50 8.679 8.057 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 50 6.539 9.853 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.472 10.665 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.564 10.020 -4.902 1.00 0.00 H new ATOM 732 N ILE A 51 6.240 9.952 -7.272 1.00 0.00 N ATOM 733 CA ILE A 51 6.024 10.026 -8.711 1.00 0.00 C ATOM 734 C ILE A 51 6.936 11.066 -9.352 1.00 0.00 C ATOM 735 O ILE A 51 6.986 11.194 -10.575 1.00 0.00 O ATOM 736 CB ILE A 51 4.559 10.369 -9.044 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.172 11.710 -8.416 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.633 9.264 -8.559 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.895 12.294 -8.978 1.00 0.00 C ATOM 0 H ILE A 51 5.432 10.219 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 51 6.259 9.042 -9.116 1.00 0.00 H new ATOM 0 HB ILE A 51 4.457 10.452 -10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.059 11.579 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.984 12.421 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.602 9.521 -8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.898 8.327 -9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.735 9.152 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.682 13.244 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.010 12.457 -10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.071 11.602 -8.803 1.00 0.00 H new ATOM 751 N ASN A 52 7.658 11.807 -8.517 1.00 0.00 N ATOM 752 CA ASN A 52 8.570 12.836 -9.002 1.00 0.00 C ATOM 753 C ASN A 52 10.019 12.367 -8.909 1.00 0.00 C ATOM 754 O ASN A 52 10.934 13.050 -9.367 1.00 0.00 O ATOM 755 CB ASN A 52 8.388 14.127 -8.201 1.00 0.00 C ATOM 756 CG ASN A 52 7.002 14.720 -8.366 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.041 14.195 -7.614 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.798 15.638 -9.160 1.00 0.00 N flip ATOM 0 H ASN A 52 7.629 11.714 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 52 8.336 13.029 -10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.570 13.925 -7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.133 14.857 -8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.567 16.010 -9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.860 16.026 -9.261 1.00 0.00 H new ATOM 765 N SER A 53 10.218 11.195 -8.313 1.00 0.00 N ATOM 766 CA SER A 53 11.555 10.635 -8.157 1.00 0.00 C ATOM 767 C SER A 53 11.608 9.201 -8.675 1.00 0.00 C ATOM 768 O SER A 53 10.598 8.653 -9.116 1.00 0.00 O ATOM 769 CB SER A 53 11.979 10.673 -6.687 1.00 0.00 C ATOM 770 OG SER A 53 12.620 11.897 -6.373 1.00 0.00 O ATOM 0 H SER A 53 9.471 10.616 -7.931 1.00 0.00 H new ATOM 0 HA SER A 53 12.246 11.241 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.105 10.543 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.653 9.842 -6.478 1.00 0.00 H new ATOM 0 HG SER A 53 11.948 12.560 -6.111 1.00 0.00 H new ATOM 776 N GLN A 54 12.792 8.601 -8.619 1.00 0.00 N ATOM 777 CA GLN A 54 12.977 7.232 -9.084 1.00 0.00 C ATOM 778 C GLN A 54 13.334 6.307 -7.925 1.00 0.00 C ATOM 779 O GLN A 54 13.826 5.198 -8.133 1.00 0.00 O ATOM 780 CB GLN A 54 14.072 7.176 -10.151 1.00 0.00 C ATOM 781 CG GLN A 54 15.409 7.724 -9.680 1.00 0.00 C ATOM 782 CD GLN A 54 16.288 8.184 -10.826 1.00 0.00 C ATOM 783 OE1 GLN A 54 17.301 7.556 -11.138 1.00 0.00 O ATOM 784 NE2 GLN A 54 15.905 9.285 -11.462 1.00 0.00 N ATOM 0 H GLN A 54 13.638 9.041 -8.256 1.00 0.00 H new ATOM 0 HA GLN A 54 12.037 6.894 -9.520 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.205 6.142 -10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.745 7.740 -11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.236 8.560 -9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.932 6.955 -9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.059 9.774 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.457 9.642 -12.242 1.00 0.00 H new ATOM 793 N GLN A 55 13.081 6.771 -6.705 1.00 0.00 N ATOM 794 CA GLN A 55 13.377 5.984 -5.513 1.00 0.00 C ATOM 795 C GLN A 55 12.144 5.217 -5.047 1.00 0.00 C ATOM 796 O GLN A 55 11.251 5.784 -4.419 1.00 0.00 O ATOM 797 CB GLN A 55 13.882 6.892 -4.390 1.00 0.00 C ATOM 798 CG GLN A 55 14.032 6.182 -3.055 1.00 0.00 C ATOM 799 CD GLN A 55 15.021 5.034 -3.112 1.00 0.00 C ATOM 800 OE1 GLN A 55 16.223 5.224 -2.923 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.519 3.833 -3.374 1.00 0.00 N ATOM 0 H GLN A 55 12.672 7.686 -6.516 1.00 0.00 H new ATOM 0 HA GLN A 55 14.155 5.264 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.845 7.312 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.192 7.728 -4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.357 6.899 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.060 5.804 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.516 3.721 -3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.136 3.022 -3.425 1.00 0.00 H new ATOM 810 N GLU A 56 12.103 3.926 -5.360 1.00 0.00 N ATOM 811 CA GLU A 56 10.978 3.083 -4.974 1.00 0.00 C ATOM 812 C GLU A 56 11.171 2.530 -3.564 1.00 0.00 C ATOM 813 O GLU A 56 12.298 2.281 -3.132 1.00 0.00 O ATOM 814 CB GLU A 56 10.811 1.931 -5.967 1.00 0.00 C ATOM 815 CG GLU A 56 9.390 1.400 -6.050 1.00 0.00 C ATOM 816 CD GLU A 56 8.869 0.914 -4.711 1.00 0.00 C ATOM 817 OE1 GLU A 56 9.340 -0.141 -4.240 1.00 0.00 O ATOM 818 OE2 GLU A 56 7.990 1.589 -4.136 1.00 0.00 O ATOM 0 H GLU A 56 12.835 3.441 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 56 10.077 3.696 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.123 2.267 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.478 1.117 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.734 2.185 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.354 0.581 -6.769 1.00 0.00 H new ATOM 825 N LEU A 57 10.066 2.340 -2.853 1.00 0.00 N ATOM 826 CA LEU A 57 10.112 1.817 -1.492 1.00 0.00 C ATOM 827 C LEU A 57 8.780 1.180 -1.108 1.00 0.00 C ATOM 828 O LEU A 57 7.761 1.411 -1.758 1.00 0.00 O ATOM 829 CB LEU A 57 10.458 2.935 -0.506 1.00 0.00 C ATOM 830 CG LEU A 57 11.692 3.771 -0.846 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.736 5.030 0.006 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.961 2.951 -0.655 1.00 0.00 C ATOM 0 H LEU A 57 9.127 2.540 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 57 10.886 1.051 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.600 3.604 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.604 2.491 0.479 1.00 0.00 H new ATOM 0 HG LEU A 57 11.629 4.068 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.621 5.612 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.843 5.627 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.775 4.755 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.829 3.562 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.030 2.624 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.933 2.079 -1.309 1.00 0.00 H new ATOM 844 N GLN A 58 8.798 0.379 -0.047 1.00 0.00 N ATOM 845 CA GLN A 58 7.591 -0.290 0.423 1.00 0.00 C ATOM 846 C GLN A 58 7.727 -0.691 1.889 1.00 0.00 C ATOM 847 O GLN A 58 8.766 -0.470 2.508 1.00 0.00 O ATOM 848 CB GLN A 58 7.301 -1.526 -0.431 1.00 0.00 C ATOM 849 CG GLN A 58 8.388 -2.586 -0.356 1.00 0.00 C ATOM 850 CD GLN A 58 8.486 -3.225 1.015 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.745 -4.308 1.218 1.00 0.00 O flip ATOM 852 NE2 GLN A 58 9.220 -2.752 1.883 1.00 0.00 N flip ATOM 0 H GLN A 58 9.634 0.178 0.502 1.00 0.00 H new ATOM 0 HA GLN A 58 6.760 0.409 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.355 -1.964 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.176 -1.219 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.189 -3.358 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.347 -2.136 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.773 -1.918 1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.275 -3.194 2.800 1.00 0.00 H new ATOM 861 N ASN A 59 6.670 -1.282 2.436 1.00 0.00 N ATOM 862 CA ASN A 59 6.671 -1.713 3.829 1.00 0.00 C ATOM 863 C ASN A 59 5.775 -2.932 4.023 1.00 0.00 C ATOM 864 O ASN A 59 5.049 -3.332 3.112 1.00 0.00 O ATOM 865 CB ASN A 59 6.205 -0.574 4.738 1.00 0.00 C ATOM 866 CG ASN A 59 7.294 0.452 4.985 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.091 1.650 4.786 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.458 -0.015 5.421 1.00 0.00 N ATOM 0 H ASN A 59 5.802 -1.473 1.936 1.00 0.00 H new ATOM 0 HA ASN A 59 7.691 -1.988 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.343 -0.083 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.875 -0.986 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.229 0.627 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.582 -1.016 5.572 1.00 0.00 H new ATOM 875 N ILE A 60 5.830 -3.517 5.214 1.00 0.00 N ATOM 876 CA ILE A 60 5.022 -4.690 5.527 1.00 0.00 C ATOM 877 C ILE A 60 4.394 -4.570 6.912 1.00 0.00 C ATOM 878 O ILE A 60 5.055 -4.181 7.875 1.00 0.00 O ATOM 879 CB ILE A 60 5.857 -5.982 5.465 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.598 -6.072 4.129 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.966 -7.199 5.666 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.637 -7.171 4.087 1.00 0.00 C ATOM 0 H ILE A 60 6.425 -3.199 5.979 1.00 0.00 H new ATOM 0 HA ILE A 60 4.234 -4.740 4.776 1.00 0.00 H new ATOM 0 HB ILE A 60 6.594 -5.960 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.874 -6.237 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.083 -5.117 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.571 -8.105 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.480 -7.137 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.208 -7.228 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.122 -7.176 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.383 -6.996 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.155 -8.134 4.258 1.00 0.00 H new ATOM 894 N THR A 61 3.112 -4.909 7.005 1.00 0.00 N ATOM 895 CA THR A 61 2.393 -4.841 8.271 1.00 0.00 C ATOM 896 C THR A 61 1.264 -5.864 8.319 1.00 0.00 C ATOM 897 O THR A 61 0.587 -6.104 7.319 1.00 0.00 O ATOM 898 CB THR A 61 1.808 -3.436 8.510 1.00 0.00 C ATOM 899 OG1 THR A 61 1.018 -3.432 9.704 1.00 0.00 O ATOM 900 CG2 THR A 61 0.956 -2.997 7.330 1.00 0.00 C ATOM 0 H THR A 61 2.550 -5.234 6.218 1.00 0.00 H new ATOM 0 HA THR A 61 3.115 -5.065 9.056 1.00 0.00 H new ATOM 0 HB THR A 61 2.636 -2.735 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.651 -2.535 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.554 -2.002 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.568 -2.973 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.135 -3.700 7.193 1.00 0.00 H new ATOM 908 N THR A 62 1.066 -6.466 9.487 1.00 0.00 N ATOM 909 CA THR A 62 0.018 -7.464 9.665 1.00 0.00 C ATOM 910 C THR A 62 -1.347 -6.805 9.829 1.00 0.00 C ATOM 911 O THR A 62 -2.336 -7.472 10.133 1.00 0.00 O ATOM 912 CB THR A 62 0.295 -8.357 10.889 1.00 0.00 C ATOM 913 OG1 THR A 62 0.624 -7.547 12.023 1.00 0.00 O ATOM 914 CG2 THR A 62 1.433 -9.326 10.605 1.00 0.00 C ATOM 0 H THR A 62 1.618 -6.280 10.325 1.00 0.00 H new ATOM 0 HA THR A 62 0.014 -8.082 8.767 1.00 0.00 H new ATOM 0 HB THR A 62 -0.606 -8.931 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.797 -8.123 12.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.611 -9.946 11.484 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.168 -9.961 9.760 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.337 -8.766 10.368 1.00 0.00 H new ATOM 922 N ASP A 63 -1.393 -5.493 9.627 1.00 0.00 N ATOM 923 CA ASP A 63 -2.639 -4.744 9.751 1.00 0.00 C ATOM 924 C ASP A 63 -3.082 -4.198 8.397 1.00 0.00 C ATOM 925 O ASP A 63 -2.284 -4.097 7.464 1.00 0.00 O ATOM 926 CB ASP A 63 -2.471 -3.596 10.747 1.00 0.00 C ATOM 927 CG ASP A 63 -2.710 -4.033 12.179 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.672 -4.793 12.415 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.933 -3.616 13.063 1.00 0.00 O ATOM 0 H ASP A 63 -0.583 -4.926 9.377 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.408 -5.424 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.465 -3.186 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.165 -2.795 10.494 1.00 0.00 H new ATOM 934 N THR A 64 -4.360 -3.848 8.295 1.00 0.00 N ATOM 935 CA THR A 64 -4.910 -3.315 7.055 1.00 0.00 C ATOM 936 C THR A 64 -4.574 -1.837 6.896 1.00 0.00 C ATOM 937 O THR A 64 -5.145 -1.149 6.048 1.00 0.00 O ATOM 938 CB THR A 64 -6.439 -3.492 6.998 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.987 -3.459 8.320 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.807 -4.805 6.323 1.00 0.00 C ATOM 0 H THR A 64 -5.034 -3.924 9.057 1.00 0.00 H new ATOM 0 HA THR A 64 -4.456 -3.878 6.239 1.00 0.00 H new ATOM 0 HB THR A 64 -6.855 -2.672 6.413 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.960 -3.571 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.892 -4.908 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.415 -4.814 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.378 -5.635 6.884 1.00 0.00 H new ATOM 948 N ARG A 65 -3.645 -1.354 7.714 1.00 0.00 N ATOM 949 CA ARG A 65 -3.234 0.044 7.663 1.00 0.00 C ATOM 950 C ARG A 65 -1.721 0.171 7.809 1.00 0.00 C ATOM 951 O ARG A 65 -1.041 -0.783 8.188 1.00 0.00 O ATOM 952 CB ARG A 65 -3.932 0.843 8.765 1.00 0.00 C ATOM 953 CG ARG A 65 -3.444 0.506 10.165 1.00 0.00 C ATOM 954 CD ARG A 65 -2.283 1.397 10.579 1.00 0.00 C ATOM 955 NE ARG A 65 -1.786 1.064 11.911 1.00 0.00 N ATOM 956 CZ ARG A 65 -0.926 1.820 12.585 1.00 0.00 C ATOM 957 NH1 ARG A 65 -0.471 2.947 12.054 1.00 0.00 N ATOM 958 NH2 ARG A 65 -0.521 1.451 13.793 1.00 0.00 N ATOM 0 H ARG A 65 -3.163 -1.910 8.420 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.523 0.447 6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.780 1.907 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.005 0.661 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.263 0.621 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.134 -0.538 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.474 1.298 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.601 2.439 10.561 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.117 0.204 12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.781 3.235 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.189 3.525 12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.870 0.586 14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.139 2.032 14.309 1.00 0.00 H new ATOM 972 N PHE A 66 -1.199 1.355 7.505 1.00 0.00 N ATOM 973 CA PHE A 66 0.234 1.606 7.601 1.00 0.00 C ATOM 974 C PHE A 66 0.529 3.102 7.529 1.00 0.00 C ATOM 975 O PHE A 66 -0.299 3.889 7.071 1.00 0.00 O ATOM 976 CB PHE A 66 0.977 0.874 6.482 1.00 0.00 C ATOM 977 CG PHE A 66 2.470 0.879 6.651 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.097 -0.086 7.423 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.246 1.850 6.038 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.470 -0.084 7.580 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.620 1.856 6.192 1.00 0.00 C ATOM 982 CZ PHE A 66 5.232 0.889 6.964 1.00 0.00 C ATOM 0 H PHE A 66 -1.747 2.155 7.190 1.00 0.00 H new ATOM 0 HA PHE A 66 0.580 1.231 8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.628 -0.158 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.726 1.336 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.506 -0.849 7.908 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.773 2.610 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.946 -0.842 8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.214 2.617 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.305 0.893 7.086 1.00 0.00 H new ATOM 992 N THR A 67 1.717 3.487 7.985 1.00 0.00 N ATOM 993 CA THR A 67 2.123 4.887 7.975 1.00 0.00 C ATOM 994 C THR A 67 3.527 5.048 7.404 1.00 0.00 C ATOM 995 O THR A 67 4.506 4.596 8.000 1.00 0.00 O ATOM 996 CB THR A 67 2.083 5.494 9.390 1.00 0.00 C ATOM 997 OG1 THR A 67 0.775 5.340 9.952 1.00 0.00 O ATOM 998 CG2 THR A 67 2.457 6.968 9.357 1.00 0.00 C ATOM 0 H THR A 67 2.415 2.848 8.366 1.00 0.00 H new ATOM 0 HA THR A 67 1.413 5.417 7.341 1.00 0.00 H new ATOM 0 HB THR A 67 2.808 4.966 10.009 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.721 5.836 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.422 7.375 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.465 7.079 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.753 7.508 8.724 1.00 0.00 H new ATOM 1006 N LEU A 68 3.620 5.694 6.247 1.00 0.00 N ATOM 1007 CA LEU A 68 4.906 5.916 5.596 1.00 0.00 C ATOM 1008 C LEU A 68 5.774 6.868 6.414 1.00 0.00 C ATOM 1009 O LEU A 68 5.323 7.437 7.409 1.00 0.00 O ATOM 1010 CB LEU A 68 4.698 6.479 4.189 1.00 0.00 C ATOM 1011 CG LEU A 68 4.106 5.514 3.161 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.487 4.080 3.495 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.593 5.665 3.096 1.00 0.00 C ATOM 0 H LEU A 68 2.820 6.073 5.740 1.00 0.00 H new ATOM 0 HA LEU A 68 5.419 4.957 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.044 7.348 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.659 6.832 3.815 1.00 0.00 H new ATOM 0 HG LEU A 68 4.517 5.759 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.057 3.407 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.572 3.981 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.105 3.823 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.189 4.970 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.163 5.447 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.341 6.686 2.808 1.00 0.00 H new ATOM 1025 N THR A 69 7.021 7.040 5.986 1.00 0.00 N ATOM 1026 CA THR A 69 7.951 7.924 6.677 1.00 0.00 C ATOM 1027 C THR A 69 9.113 8.314 5.771 1.00 0.00 C ATOM 1028 O THR A 69 9.344 7.691 4.736 1.00 0.00 O ATOM 1029 CB THR A 69 8.508 7.266 7.953 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.331 6.146 7.608 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.379 6.810 8.864 1.00 0.00 C ATOM 0 H THR A 69 7.410 6.578 5.164 1.00 0.00 H new ATOM 0 HA THR A 69 7.392 8.818 6.953 1.00 0.00 H new ATOM 0 HB THR A 69 9.106 8.006 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.683 5.734 8.425 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.797 6.348 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.772 7.669 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.758 6.085 8.338 1.00 0.00 H new ATOM 1039 N GLY A 70 9.845 9.351 6.169 1.00 0.00 N ATOM 1040 CA GLY A 70 10.975 9.807 5.382 1.00 0.00 C ATOM 1041 C GLY A 70 10.559 10.348 4.028 1.00 0.00 C ATOM 1042 O GLY A 70 11.267 10.169 3.036 1.00 0.00 O ATOM 0 H GLY A 70 9.675 9.883 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.507 10.583 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.672 8.981 5.241 1.00 0.00 H new ATOM 1046 N LEU A 71 9.408 11.009 3.985 1.00 0.00 N ATOM 1047 CA LEU A 71 8.897 11.576 2.742 1.00 0.00 C ATOM 1048 C LEU A 71 9.023 13.096 2.745 1.00 0.00 C ATOM 1049 O LEU A 71 9.225 13.711 3.792 1.00 0.00 O ATOM 1050 CB LEU A 71 7.434 11.175 2.539 1.00 0.00 C ATOM 1051 CG LEU A 71 7.042 9.787 3.045 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.532 9.672 3.175 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.583 8.708 2.118 1.00 0.00 C ATOM 0 H LEU A 71 8.811 11.166 4.797 1.00 0.00 H new ATOM 0 HA LEU A 71 9.493 11.182 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.804 11.912 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.208 11.229 1.474 1.00 0.00 H new ATOM 0 HG LEU A 71 7.483 9.644 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.273 8.677 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.169 10.420 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.069 9.836 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.294 7.727 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.173 8.848 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.670 8.775 2.077 1.00 0.00 H new ATOM 1065 N LYS A 72 8.902 13.697 1.566 1.00 0.00 N ATOM 1066 CA LYS A 72 8.999 15.145 1.431 1.00 0.00 C ATOM 1067 C LYS A 72 7.618 15.790 1.481 1.00 0.00 C ATOM 1068 O LYS A 72 6.645 15.275 0.928 1.00 0.00 O ATOM 1069 CB LYS A 72 9.697 15.510 0.119 1.00 0.00 C ATOM 1070 CG LYS A 72 9.747 17.004 -0.148 1.00 0.00 C ATOM 1071 CD LYS A 72 10.074 17.300 -1.602 1.00 0.00 C ATOM 1072 CE LYS A 72 11.554 17.100 -1.893 1.00 0.00 C ATOM 1073 NZ LYS A 72 12.022 17.965 -3.011 1.00 0.00 N ATOM 0 H LYS A 72 8.736 13.203 0.689 1.00 0.00 H new ATOM 0 HA LYS A 72 9.588 15.524 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.714 15.118 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.181 15.019 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.787 17.453 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.497 17.465 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.484 16.650 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.791 18.326 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.133 17.321 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.737 16.055 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.035 17.799 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.487 17.737 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.871 18.964 -2.764 1.00 0.00 H new ATOM 1087 N PRO A 73 7.527 16.945 2.157 1.00 0.00 N ATOM 1088 CA PRO A 73 6.269 17.686 2.293 1.00 0.00 C ATOM 1089 C PRO A 73 5.818 18.308 0.976 1.00 0.00 C ATOM 1090 O PRO A 73 6.641 18.678 0.139 1.00 0.00 O ATOM 1091 CB PRO A 73 6.609 18.777 3.312 1.00 0.00 C ATOM 1092 CG PRO A 73 8.081 18.967 3.187 1.00 0.00 C ATOM 1093 CD PRO A 73 8.645 17.616 2.841 1.00 0.00 C ATOM 0 HA PRO A 73 5.446 17.040 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.071 19.700 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.333 18.475 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.316 19.698 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.507 19.341 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.519 17.699 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.957 17.071 3.732 1.00 0.00 H new ATOM 1101 N ASP A 74 4.506 18.421 0.799 1.00 0.00 N ATOM 1102 CA ASP A 74 3.945 19.000 -0.416 1.00 0.00 C ATOM 1103 C ASP A 74 4.464 18.275 -1.653 1.00 0.00 C ATOM 1104 O ASP A 74 4.816 18.902 -2.653 1.00 0.00 O ATOM 1105 CB ASP A 74 4.287 20.489 -0.501 1.00 0.00 C ATOM 1106 CG ASP A 74 3.705 21.146 -1.737 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.557 20.816 -2.101 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.397 21.992 -2.340 1.00 0.00 O ATOM 0 H ASP A 74 3.811 18.119 1.482 1.00 0.00 H new ATOM 0 HA ASP A 74 2.862 18.885 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.912 20.996 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.370 20.611 -0.504 1.00 0.00 H new ATOM 1113 N THR A 75 4.510 16.948 -1.580 1.00 0.00 N ATOM 1114 CA THR A 75 4.987 16.137 -2.692 1.00 0.00 C ATOM 1115 C THR A 75 4.144 14.878 -2.857 1.00 0.00 C ATOM 1116 O THR A 75 3.891 14.156 -1.892 1.00 0.00 O ATOM 1117 CB THR A 75 6.461 15.732 -2.500 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.312 16.864 -2.713 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.845 14.615 -3.459 1.00 0.00 C ATOM 0 H THR A 75 4.222 16.412 -0.761 1.00 0.00 H new ATOM 0 HA THR A 75 4.899 16.749 -3.589 1.00 0.00 H new ATOM 0 HB THR A 75 6.585 15.371 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.694 16.821 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.890 14.346 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.215 13.745 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.705 14.953 -4.486 1.00 0.00 H new ATOM 1127 N THR A 76 3.710 14.619 -4.087 1.00 0.00 N ATOM 1128 CA THR A 76 2.894 13.447 -4.378 1.00 0.00 C ATOM 1129 C THR A 76 3.696 12.162 -4.206 1.00 0.00 C ATOM 1130 O THR A 76 4.832 12.061 -4.671 1.00 0.00 O ATOM 1131 CB THR A 76 2.327 13.498 -5.809 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.613 14.722 -6.010 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.403 12.317 -6.068 1.00 0.00 C ATOM 0 H THR A 76 3.910 15.205 -4.897 1.00 0.00 H new ATOM 0 HA THR A 76 2.067 13.454 -3.668 1.00 0.00 H new ATOM 0 HB THR A 76 3.161 13.446 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.257 14.747 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.015 12.375 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.958 11.387 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.574 12.342 -5.361 1.00 0.00 H new ATOM 1141 N TYR A 77 3.098 11.182 -3.538 1.00 0.00 N ATOM 1142 CA TYR A 77 3.759 9.903 -3.304 1.00 0.00 C ATOM 1143 C TYR A 77 2.861 8.742 -3.720 1.00 0.00 C ATOM 1144 O TYR A 77 1.844 8.469 -3.082 1.00 0.00 O ATOM 1145 CB TYR A 77 4.140 9.764 -1.829 1.00 0.00 C ATOM 1146 CG TYR A 77 5.485 10.368 -1.492 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.648 9.611 -1.574 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.593 11.693 -1.090 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.878 10.158 -1.266 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.819 12.249 -0.782 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.959 11.477 -0.871 1.00 0.00 C ATOM 1152 OH TYR A 77 9.183 12.026 -0.564 1.00 0.00 O ATOM 0 H TYR A 77 2.157 11.248 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 77 4.664 9.874 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.374 10.241 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.149 8.707 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.589 8.578 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.702 12.299 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.772 9.556 -1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.885 13.282 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 77 9.292 12.872 -1.047 1.00 0.00 H new ATOM 1162 N ASP A 78 3.245 8.061 -4.794 1.00 0.00 N ATOM 1163 CA ASP A 78 2.477 6.928 -5.296 1.00 0.00 C ATOM 1164 C ASP A 78 2.513 5.767 -4.308 1.00 0.00 C ATOM 1165 O ASP A 78 3.468 4.989 -4.283 1.00 0.00 O ATOM 1166 CB ASP A 78 3.021 6.476 -6.653 1.00 0.00 C ATOM 1167 CG ASP A 78 2.431 5.154 -7.102 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.483 4.184 -6.317 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.917 5.090 -8.238 1.00 0.00 O ATOM 0 H ASP A 78 4.084 8.274 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 78 1.442 7.247 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.805 7.239 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.106 6.385 -6.594 1.00 0.00 H new ATOM 1174 N ILE A 79 1.468 5.656 -3.495 1.00 0.00 N ATOM 1175 CA ILE A 79 1.380 4.589 -2.505 1.00 0.00 C ATOM 1176 C ILE A 79 0.302 3.578 -2.880 1.00 0.00 C ATOM 1177 O ILE A 79 -0.817 3.949 -3.233 1.00 0.00 O ATOM 1178 CB ILE A 79 1.078 5.148 -1.102 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.047 6.282 -0.761 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.164 4.041 -0.062 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.453 7.330 0.154 1.00 0.00 C ATOM 0 H ILE A 79 0.670 6.292 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 79 2.350 4.092 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 79 0.064 5.548 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.935 5.861 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.373 6.760 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.948 4.451 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.438 3.263 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.167 3.615 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.196 8.102 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.582 7.779 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.153 6.865 1.093 1.00 0.00 H new ATOM 1193 N LYS A 80 0.646 2.297 -2.799 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.292 1.230 -3.127 1.00 0.00 C ATOM 1195 C LYS A 80 -0.238 0.119 -2.083 1.00 0.00 C ATOM 1196 O LYS A 80 0.524 0.195 -1.120 1.00 0.00 O ATOM 1197 CB LYS A 80 0.018 0.658 -4.512 1.00 0.00 C ATOM 1198 CG LYS A 80 1.501 0.623 -4.838 1.00 0.00 C ATOM 1199 CD LYS A 80 1.750 0.810 -6.325 1.00 0.00 C ATOM 1200 CE LYS A 80 0.927 -0.163 -7.155 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.237 -0.054 -8.607 1.00 0.00 N ATOM 0 H LYS A 80 1.568 1.972 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.297 1.652 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.383 -0.353 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.497 1.254 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.015 1.406 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.923 -0.328 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.503 1.833 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.809 0.666 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.120 -1.181 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.134 0.030 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.656 -0.733 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.029 0.911 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.244 -0.263 -8.764 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.052 -0.913 -2.282 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.095 -2.041 -1.359 1.00 0.00 C ATOM 1217 C VAL A 81 -1.410 -3.339 -2.093 1.00 0.00 C ATOM 1218 O VAL A 81 -1.823 -3.325 -3.252 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.144 -1.821 -0.253 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.497 -2.366 -0.685 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.691 -2.468 1.047 1.00 0.00 C ATOM 0 H VAL A 81 -1.690 -0.991 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.108 -2.115 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.248 -0.749 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.226 -2.202 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.824 -1.853 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.412 -3.434 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.444 -2.303 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.558 -3.539 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.746 -2.027 1.363 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.213 -4.462 -1.409 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.475 -5.770 -1.996 1.00 0.00 C ATOM 1233 C ARG A 82 -1.600 -6.837 -0.912 1.00 0.00 C ATOM 1234 O ARG A 82 -0.811 -6.874 0.031 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.360 -6.148 -2.972 1.00 0.00 C ATOM 1236 CG ARG A 82 0.977 -6.409 -2.298 1.00 0.00 C ATOM 1237 CD ARG A 82 2.096 -6.555 -3.317 1.00 0.00 C ATOM 1238 NE ARG A 82 1.913 -7.731 -4.165 1.00 0.00 N ATOM 1239 CZ ARG A 82 2.726 -8.048 -5.166 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.772 -7.282 -5.444 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.494 -9.134 -5.892 1.00 0.00 N ATOM 0 H ARG A 82 -0.873 -4.492 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.419 -5.714 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.659 -7.039 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.240 -5.347 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.208 -5.590 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.911 -7.315 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.138 -5.662 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.052 -6.627 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 82 1.118 -8.342 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.954 -6.446 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.394 -7.528 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.691 -9.726 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.119 -9.377 -6.661 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.598 -7.704 -1.054 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.825 -8.772 -0.089 1.00 0.00 C ATOM 1257 C ALA A 83 -1.917 -9.965 -0.367 1.00 0.00 C ATOM 1258 O ALA A 83 -1.636 -10.288 -1.521 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.285 -9.201 -0.111 1.00 0.00 C ATOM 0 H ALA A 83 -3.262 -7.687 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.585 -8.389 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.441 -9.999 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.918 -8.351 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.544 -9.560 -1.107 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.461 -10.615 0.698 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.583 -11.772 0.568 1.00 0.00 C ATOM 1267 C TRP A 84 -1.230 -13.016 1.168 1.00 0.00 C ATOM 1268 O TRP A 84 -1.923 -12.940 2.182 1.00 0.00 O ATOM 1269 CB TRP A 84 0.758 -11.500 1.251 1.00 0.00 C ATOM 1270 CG TRP A 84 1.622 -10.532 0.501 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.402 -9.194 0.337 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.841 -10.828 -0.190 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.411 -8.640 -0.413 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.306 -9.621 -0.748 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.585 -11.993 -0.389 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.481 -9.550 -1.492 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.751 -11.921 -1.127 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.190 -10.706 -1.671 1.00 0.00 C ATOM 0 H TRP A 84 -1.685 -10.361 1.660 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.412 -11.950 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.575 -11.112 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.296 -12.441 1.367 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.559 -8.651 0.738 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.482 -7.657 -0.677 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.255 -12.934 0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.821 -8.615 -1.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.334 -12.816 -1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.106 -10.682 -2.243 1.00 0.00 H new ATOM 1289 N THR A 85 -0.998 -14.162 0.535 1.00 0.00 N ATOM 1290 CA THR A 85 -1.559 -15.422 1.005 1.00 0.00 C ATOM 1291 C THR A 85 -0.460 -16.433 1.312 1.00 0.00 C ATOM 1292 O THR A 85 0.697 -16.238 0.940 1.00 0.00 O ATOM 1293 CB THR A 85 -2.525 -16.029 -0.030 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.861 -16.180 -1.290 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.756 -15.151 -0.202 1.00 0.00 C ATOM 0 H THR A 85 -0.425 -14.243 -0.305 1.00 0.00 H new ATOM 0 HA THR A 85 -2.111 -15.200 1.919 1.00 0.00 H new ATOM 0 HB THR A 85 -2.843 -17.007 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.241 -16.945 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.423 -15.600 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.275 -15.062 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.452 -14.162 -0.544 1.00 0.00 H new ATOM 1303 N SER A 86 -0.830 -17.513 1.992 1.00 0.00 N ATOM 1304 CA SER A 86 0.127 -18.554 2.352 1.00 0.00 C ATOM 1305 C SER A 86 0.968 -18.959 1.145 1.00 0.00 C ATOM 1306 O SER A 86 2.096 -19.431 1.290 1.00 0.00 O ATOM 1307 CB SER A 86 -0.604 -19.776 2.912 1.00 0.00 C ATOM 1308 OG SER A 86 -1.336 -20.442 1.897 1.00 0.00 O ATOM 0 H SER A 86 -1.784 -17.691 2.305 1.00 0.00 H new ATOM 0 HA SER A 86 0.791 -18.154 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.117 -20.463 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.280 -19.466 3.708 1.00 0.00 H new ATOM 0 HG SER A 86 -1.793 -21.220 2.280 1.00 0.00 H new ATOM 1314 N LYS A 87 0.411 -18.771 -0.046 1.00 0.00 N ATOM 1315 CA LYS A 87 1.108 -19.115 -1.280 1.00 0.00 C ATOM 1316 C LYS A 87 2.172 -18.073 -1.612 1.00 0.00 C ATOM 1317 O LYS A 87 3.359 -18.387 -1.686 1.00 0.00 O ATOM 1318 CB LYS A 87 0.113 -19.229 -2.437 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.693 -20.516 -2.422 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.984 -20.357 -1.638 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.987 -21.445 -1.989 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.548 -21.262 -3.356 1.00 0.00 N ATOM 0 H LYS A 87 -0.522 -18.382 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 87 1.599 -20.077 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.571 -18.381 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.656 -19.161 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.922 -20.815 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.096 -21.315 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.769 -20.390 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.419 -19.379 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.504 -22.420 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.798 -21.441 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.415 -21.828 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.771 -20.258 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.850 -21.572 -4.062 1.00 0.00 H new ATOM 1336 N GLY A 88 1.738 -16.832 -1.810 1.00 0.00 N ATOM 1337 CA GLY A 88 2.667 -15.764 -2.130 1.00 0.00 C ATOM 1338 C GLY A 88 1.991 -14.409 -2.195 1.00 0.00 C ATOM 1339 O GLY A 88 1.336 -13.988 -1.242 1.00 0.00 O ATOM 0 H GLY A 88 0.760 -16.547 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.457 -15.737 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.143 -15.975 -3.087 1.00 0.00 H new ATOM 1343 N SER A 89 2.153 -13.723 -3.322 1.00 0.00 N ATOM 1344 CA SER A 89 1.558 -12.404 -3.506 1.00 0.00 C ATOM 1345 C SER A 89 0.631 -12.391 -4.718 1.00 0.00 C ATOM 1346 O SER A 89 0.655 -13.304 -5.542 1.00 0.00 O ATOM 1347 CB SER A 89 2.651 -11.347 -3.674 1.00 0.00 C ATOM 1348 OG SER A 89 3.605 -11.749 -4.641 1.00 0.00 O ATOM 0 H SER A 89 2.691 -14.058 -4.121 1.00 0.00 H new ATOM 0 HA SER A 89 0.970 -12.170 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.202 -10.400 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.147 -11.177 -2.718 1.00 0.00 H new ATOM 0 HG SER A 89 4.292 -11.056 -4.731 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.186 -11.346 -4.820 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.109 -11.232 -5.933 1.00 0.00 C ATOM 1356 C GLY A 90 -0.957 -9.922 -6.681 1.00 0.00 C ATOM 1357 O GLY A 90 0.151 -9.428 -6.890 1.00 0.00 O ATOM 0 H GLY A 90 -0.224 -10.577 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.947 -12.061 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.131 -11.320 -5.564 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.090 -9.340 -7.100 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.104 -8.073 -7.837 1.00 0.00 C ATOM 1363 C PRO A 91 -1.703 -6.890 -6.962 1.00 0.00 C ATOM 1364 O PRO A 91 -1.534 -7.030 -5.750 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.561 -7.938 -8.284 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.337 -8.733 -7.291 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.446 -9.874 -6.886 1.00 0.00 C ATOM 0 HA PRO A 91 -1.390 -8.073 -8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.878 -6.895 -8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.702 -8.321 -9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.607 -8.124 -6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.267 -9.099 -7.726 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.606 -10.159 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.629 -10.761 -7.492 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.554 -5.725 -7.583 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.174 -4.516 -6.860 1.00 0.00 C ATOM 1377 C LEU A 92 -2.277 -3.465 -6.939 1.00 0.00 C ATOM 1378 O LEU A 92 -2.685 -3.059 -8.027 1.00 0.00 O ATOM 1379 CB LEU A 92 0.129 -3.948 -7.427 1.00 0.00 C ATOM 1380 CG LEU A 92 1.418 -4.443 -6.771 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.602 -4.243 -7.704 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.652 -3.727 -5.449 1.00 0.00 C ATOM 0 H LEU A 92 -1.690 -5.592 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.023 -4.780 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.172 -4.184 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.096 -2.862 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 92 1.315 -5.510 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.511 -4.601 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.437 -4.801 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.708 -3.183 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.574 -4.092 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.734 -2.655 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.816 -3.921 -4.777 1.00 0.00 H new ATOM 1394 N SER A 93 -2.754 -3.028 -5.778 1.00 0.00 N ATOM 1395 CA SER A 93 -3.811 -2.026 -5.715 1.00 0.00 C ATOM 1396 C SER A 93 -3.402 -0.757 -6.458 1.00 0.00 C ATOM 1397 O SER A 93 -2.220 -0.454 -6.616 1.00 0.00 O ATOM 1398 CB SER A 93 -4.141 -1.693 -4.258 1.00 0.00 C ATOM 1399 OG SER A 93 -3.282 -0.683 -3.758 1.00 0.00 O ATOM 0 H SER A 93 -2.425 -3.352 -4.868 1.00 0.00 H new ATOM 0 HA SER A 93 -4.698 -2.439 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.177 -1.363 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.047 -2.590 -3.646 1.00 0.00 H new ATOM 0 HG SER A 93 -3.517 0.177 -4.165 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.404 0.002 -6.926 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.174 1.250 -7.660 1.00 0.00 C ATOM 1407 C PRO A 94 -3.623 2.355 -6.766 1.00 0.00 C ATOM 1408 O PRO A 94 -4.285 2.794 -5.825 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.568 1.621 -8.172 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.509 0.972 -7.216 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.837 -0.299 -6.774 1.00 0.00 C ATOM 0 HA PRO A 94 -3.433 1.128 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.707 2.702 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.725 1.260 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.712 1.623 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.467 0.762 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.088 -0.549 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.137 -1.147 -7.389 1.00 0.00 H new ATOM 1419 N SER A 95 -2.408 2.802 -7.066 1.00 0.00 N ATOM 1420 CA SER A 95 -1.767 3.855 -6.287 1.00 0.00 C ATOM 1421 C SER A 95 -2.697 5.053 -6.123 1.00 0.00 C ATOM 1422 O SER A 95 -3.492 5.361 -7.012 1.00 0.00 O ATOM 1423 CB SER A 95 -0.464 4.294 -6.959 1.00 0.00 C ATOM 1424 OG SER A 95 -0.532 4.123 -8.364 1.00 0.00 O ATOM 0 H SER A 95 -1.848 2.451 -7.843 1.00 0.00 H new ATOM 0 HA SER A 95 -1.541 3.455 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.266 5.340 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.368 3.715 -6.559 1.00 0.00 H new ATOM 0 HG SER A 95 0.342 4.320 -8.760 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.591 5.725 -4.982 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.421 6.890 -4.701 1.00 0.00 C ATOM 1432 C ILE A 96 -2.645 8.184 -4.925 1.00 0.00 C ATOM 1433 O ILE A 96 -3.232 9.230 -5.199 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.954 6.866 -3.257 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.852 6.428 -2.290 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.157 5.942 -3.151 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.258 6.506 -0.835 1.00 0.00 C ATOM 0 H ILE A 96 -1.938 5.483 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.264 6.851 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.270 7.873 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.561 5.404 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.973 7.052 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.522 5.936 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.946 6.295 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.866 4.932 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.428 6.181 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.521 7.534 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.118 5.860 -0.662 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.324 8.103 -4.806 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.468 9.268 -4.997 1.00 0.00 C ATOM 1451 C GLN A 97 -0.791 10.354 -3.975 1.00 0.00 C ATOM 1452 O GLN A 97 -0.977 11.518 -4.330 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.631 9.821 -6.414 1.00 0.00 C ATOM 1454 CG GLN A 97 0.359 9.239 -7.411 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.207 9.158 -8.815 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.714 10.145 -9.350 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.123 7.979 -9.421 1.00 0.00 N ATOM 0 H GLN A 97 -0.823 7.244 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 97 0.566 8.955 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.644 9.618 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.514 10.904 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.261 9.851 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.654 8.242 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.305 7.188 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.487 7.865 -10.367 1.00 0.00 H new ATOM 1466 N SER A 98 -0.857 9.964 -2.706 1.00 0.00 N ATOM 1467 CA SER A 98 -1.162 10.904 -1.633 1.00 0.00 C ATOM 1468 C SER A 98 -0.030 11.909 -1.453 1.00 0.00 C ATOM 1469 O SER A 98 1.130 11.531 -1.284 1.00 0.00 O ATOM 1470 CB SER A 98 -1.405 10.152 -0.323 1.00 0.00 C ATOM 1471 OG SER A 98 -2.208 10.915 0.561 1.00 0.00 O ATOM 0 H SER A 98 -0.704 9.005 -2.396 1.00 0.00 H new ATOM 0 HA SER A 98 -2.067 11.448 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.892 9.200 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.451 9.925 0.152 1.00 0.00 H new ATOM 0 HG SER A 98 -1.637 11.348 1.230 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.374 13.192 -1.492 1.00 0.00 N ATOM 1478 CA ARG A 99 0.613 14.254 -1.335 1.00 0.00 C ATOM 1479 C ARG A 99 0.688 14.715 0.118 1.00 0.00 C ATOM 1480 O ARG A 99 -0.255 15.309 0.642 1.00 0.00 O ATOM 1481 CB ARG A 99 0.268 15.438 -2.240 1.00 0.00 C ATOM 1482 CG ARG A 99 1.273 16.576 -2.163 1.00 0.00 C ATOM 1483 CD ARG A 99 1.012 17.623 -3.233 1.00 0.00 C ATOM 1484 NE ARG A 99 0.065 18.641 -2.784 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.476 19.548 -3.590 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.164 19.565 -4.879 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.329 20.442 -3.107 1.00 0.00 N ATOM 0 H ARG A 99 -1.329 13.522 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 99 1.586 13.857 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.204 15.090 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.718 15.816 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.223 17.041 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.282 16.180 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.952 18.100 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.624 17.137 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.195 18.656 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.493 18.881 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.581 20.263 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.570 20.433 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.744 21.138 -3.727 1.00 0.00 H new ATOM 1501 N THR A 100 1.817 14.437 0.764 1.00 0.00 N ATOM 1502 CA THR A 100 2.015 14.822 2.156 1.00 0.00 C ATOM 1503 C THR A 100 1.523 16.242 2.409 1.00 0.00 C ATOM 1504 O THR A 100 1.259 16.994 1.471 1.00 0.00 O ATOM 1505 CB THR A 100 3.498 14.724 2.560 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.308 15.455 1.632 1.00 0.00 O ATOM 1507 CG2 THR A 100 3.953 13.273 2.604 1.00 0.00 C ATOM 0 H THR A 100 2.607 13.947 0.345 1.00 0.00 H new ATOM 0 HA THR A 100 1.435 14.127 2.762 1.00 0.00 H new ATOM 0 HB THR A 100 3.609 15.153 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.172 15.005 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.003 13.230 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.354 12.726 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.828 12.822 1.619 1.00 0.00 H new ATOM 1515 N MET A 101 1.404 16.604 3.682 1.00 0.00 N ATOM 1516 CA MET A 101 0.945 17.936 4.058 1.00 0.00 C ATOM 1517 C MET A 101 2.045 18.971 3.842 1.00 0.00 C ATOM 1518 O MET A 101 3.219 18.733 4.128 1.00 0.00 O ATOM 1519 CB MET A 101 0.496 17.951 5.521 1.00 0.00 C ATOM 1520 CG MET A 101 1.613 18.285 6.496 1.00 0.00 C ATOM 1521 SD MET A 101 1.107 18.110 8.218 1.00 0.00 S ATOM 1522 CE MET A 101 -0.312 19.202 8.267 1.00 0.00 C ATOM 0 H MET A 101 1.619 15.994 4.471 1.00 0.00 H new ATOM 0 HA MET A 101 0.097 18.193 3.423 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.307 18.678 5.639 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.082 16.975 5.776 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.465 17.633 6.304 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.948 19.307 6.322 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.574 19.412 9.304 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.071 20.135 7.758 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.156 18.724 7.769 1.00 0.00 H new ATOM 1532 N PRO A 102 1.660 20.147 3.324 1.00 0.00 N ATOM 1533 CA PRO A 102 2.599 21.241 3.058 1.00 0.00 C ATOM 1534 C PRO A 102 3.135 21.869 4.340 1.00 0.00 C ATOM 1535 O PRO A 102 2.474 22.705 4.957 1.00 0.00 O ATOM 1536 CB PRO A 102 1.754 22.252 2.280 1.00 0.00 C ATOM 1537 CG PRO A 102 0.351 21.979 2.702 1.00 0.00 C ATOM 1538 CD PRO A 102 0.277 20.499 2.960 1.00 0.00 C ATOM 0 HA PRO A 102 3.482 20.898 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.046 23.276 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.876 22.125 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.096 22.545 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.355 22.276 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.422 20.266 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.058 19.953 2.078 1.00 0.00 H new ATOM 1546 N VAL A 103 4.336 21.461 4.736 1.00 0.00 N ATOM 1547 CA VAL A 103 4.962 21.986 5.944 1.00 0.00 C ATOM 1548 C VAL A 103 4.891 23.508 5.983 1.00 0.00 C ATOM 1549 O VAL A 103 4.099 24.084 6.728 1.00 0.00 O ATOM 1550 CB VAL A 103 6.435 21.548 6.049 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.216 22.004 4.826 1.00 0.00 C ATOM 1552 CG2 VAL A 103 7.062 22.090 7.325 1.00 0.00 C ATOM 0 H VAL A 103 4.895 20.768 4.238 1.00 0.00 H new ATOM 0 HA VAL A 103 4.409 21.578 6.790 1.00 0.00 H new ATOM 0 HB VAL A 103 6.471 20.459 6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.254 21.686 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.779 21.563 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.175 23.091 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.103 21.771 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.016 23.179 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.517 21.709 8.189 1.00 0.00 H new TER 1562 VAL A 103