USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 101 LYS NZ :NH3+ -122:sc= -2.86! (180deg=-5.96!) USER MOD Set 1.2: A 105 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.8!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 SER OG : rot -82:sc= 0.0489 USER MOD Set 3.2: A 19 ASN :FLIP amide:sc= -5.37! C(o=-7.7!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 8 THR OG1 : rot 40:sc= 0.397 USER MOD Single : A 10 GLN : amide:sc=-0.000307 K(o=-0.00031,f=-0.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.382 X(o=-0.38,f=-0.71) USER MOD Single : A 32 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.7) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -139:sc= 0.642 USER MOD Single : A 41 ASN : amide:sc= -0.367 K(o=-0.37,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.643 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 51 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.6) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.89 USER MOD Single : A 60 SER OG : rot 180:sc= -2.85! USER MOD Single : A 61 ASN : amide:sc= -4.14! C(o=-4.1!,f=-17!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 70 TYR OH : rot -8:sc= 0.212 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 130:sc= -0.218 USER MOD Single : A 84 MET CE :methyl -132:sc= -0.67 (180deg=-2.94!) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 92 THR OG1 : rot 100:sc= 0.407 USER MOD Single : A 94 SER OG : rot 180:sc= -0.309 USER MOD Single : A 95 TYR OH : rot -29:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot -130:sc= -0.0243 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.31 F(o=-1.5,f=-0.31) USER MOD Single : A 103 ASN : amide:sc= -5.12! C(o=-5.1!,f=-7.9!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.399 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -1.77 K(o=-1.8,f=-7!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.1) USER MOD Single : A 119 THR OG1 : rot -64:sc= 0.644 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 79:sc= 0.0171 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.178 12.153 27.086 1.00 0.00 N ATOM 2 CA GLY A 1 -5.817 13.281 27.925 1.00 0.00 C ATOM 3 C GLY A 1 -4.344 13.625 27.830 1.00 0.00 C ATOM 4 O GLY A 1 -3.550 13.228 28.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.195 11.957 27.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.964 12.377 26.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.634 11.316 27.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.409 14.149 27.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.068 13.054 28.961 1.00 0.00 H new ATOM 8 N SER A 2 -3.977 14.365 26.788 1.00 0.00 N ATOM 9 CA SER A 2 -2.588 14.759 26.582 1.00 0.00 C ATOM 10 C SER A 2 -2.460 16.277 26.497 1.00 0.00 C ATOM 11 O SER A 2 -3.416 16.973 26.156 1.00 0.00 O ATOM 12 CB SER A 2 -2.038 14.118 25.306 1.00 0.00 C ATOM 13 OG SER A 2 -0.624 14.039 25.343 1.00 0.00 O ATOM 0 H SER A 2 -4.622 14.703 26.074 1.00 0.00 H new ATOM 0 HA SER A 2 -2.007 14.410 27.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.458 13.119 25.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.350 14.700 24.439 1.00 0.00 H new ATOM 0 HG SER A 2 -0.298 13.624 24.517 1.00 0.00 H new ATOM 19 N SER A 3 -1.271 16.782 26.810 1.00 0.00 N ATOM 20 CA SER A 3 -1.018 18.218 26.774 1.00 0.00 C ATOM 21 C SER A 3 -0.006 18.564 25.686 1.00 0.00 C ATOM 22 O SER A 3 1.157 18.170 25.756 1.00 0.00 O ATOM 23 CB SER A 3 -0.507 18.702 28.133 1.00 0.00 C ATOM 24 OG SER A 3 -0.659 20.104 28.265 1.00 0.00 O ATOM 0 H SER A 3 -0.468 16.219 27.091 1.00 0.00 H new ATOM 0 HA SER A 3 -1.958 18.722 26.546 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.052 18.197 28.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.544 18.435 28.246 1.00 0.00 H new ATOM 0 HG SER A 3 -0.327 20.388 29.142 1.00 0.00 H new ATOM 30 N GLY A 4 -0.460 19.304 24.678 1.00 0.00 N ATOM 31 CA GLY A 4 0.417 19.691 23.589 1.00 0.00 C ATOM 32 C GLY A 4 -0.204 19.442 22.229 1.00 0.00 C ATOM 33 O GLY A 4 -1.338 18.974 22.133 1.00 0.00 O ATOM 0 H GLY A 4 -1.419 19.642 24.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.665 20.748 23.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.352 19.137 23.665 1.00 0.00 H new ATOM 37 N SER A 5 0.540 19.758 21.173 1.00 0.00 N ATOM 38 CA SER A 5 0.054 19.571 19.811 1.00 0.00 C ATOM 39 C SER A 5 1.200 19.217 18.869 1.00 0.00 C ATOM 40 O SER A 5 2.371 19.382 19.209 1.00 0.00 O ATOM 41 CB SER A 5 -0.652 20.837 19.322 1.00 0.00 C ATOM 42 OG SER A 5 0.201 21.965 19.413 1.00 0.00 O ATOM 0 H SER A 5 1.482 20.145 21.235 1.00 0.00 H new ATOM 0 HA SER A 5 -0.657 18.745 19.815 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.973 20.702 18.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.551 21.008 19.915 1.00 0.00 H new ATOM 0 HG SER A 5 -0.273 22.761 19.093 1.00 0.00 H new ATOM 48 N SER A 6 0.852 18.730 17.682 1.00 0.00 N ATOM 49 CA SER A 6 1.851 18.349 16.690 1.00 0.00 C ATOM 50 C SER A 6 2.113 19.493 15.715 1.00 0.00 C ATOM 51 O SER A 6 1.198 20.222 15.337 1.00 0.00 O ATOM 52 CB SER A 6 1.392 17.106 15.925 1.00 0.00 C ATOM 53 OG SER A 6 0.094 17.289 15.387 1.00 0.00 O ATOM 0 H SER A 6 -0.113 18.590 17.384 1.00 0.00 H new ATOM 0 HA SER A 6 2.780 18.122 17.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.095 16.890 15.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.395 16.243 16.591 1.00 0.00 H new ATOM 0 HG SER A 6 -0.176 16.482 14.902 1.00 0.00 H new ATOM 59 N GLY A 7 3.371 19.642 15.312 1.00 0.00 N ATOM 60 CA GLY A 7 3.733 20.699 14.386 1.00 0.00 C ATOM 61 C GLY A 7 3.544 20.290 12.938 1.00 0.00 C ATOM 62 O GLY A 7 2.415 20.186 12.456 1.00 0.00 O ATOM 0 H GLY A 7 4.146 19.050 15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.129 21.582 14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.774 20.980 14.548 1.00 0.00 H new ATOM 66 N THR A 8 4.652 20.059 12.240 1.00 0.00 N ATOM 67 CA THR A 8 4.603 19.662 10.839 1.00 0.00 C ATOM 68 C THR A 8 3.640 18.499 10.629 1.00 0.00 C ATOM 69 O THR A 8 3.851 17.405 11.151 1.00 0.00 O ATOM 70 CB THR A 8 5.997 19.259 10.321 1.00 0.00 C ATOM 71 OG1 THR A 8 6.567 18.260 11.173 1.00 0.00 O ATOM 72 CG2 THR A 8 6.921 20.466 10.258 1.00 0.00 C ATOM 0 H THR A 8 5.594 20.140 12.623 1.00 0.00 H new ATOM 0 HA THR A 8 4.250 20.527 10.278 1.00 0.00 H new ATOM 0 HB THR A 8 5.883 18.855 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.870 17.627 11.447 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.899 20.157 9.890 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.499 21.212 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.028 20.895 11.254 1.00 0.00 H new ATOM 80 N ALA A 9 2.583 18.744 9.862 1.00 0.00 N ATOM 81 CA ALA A 9 1.588 17.716 9.582 1.00 0.00 C ATOM 82 C ALA A 9 2.034 16.821 8.430 1.00 0.00 C ATOM 83 O ALA A 9 2.639 17.290 7.467 1.00 0.00 O ATOM 84 CB ALA A 9 0.244 18.354 9.267 1.00 0.00 C ATOM 0 H ALA A 9 2.394 19.645 9.423 1.00 0.00 H new ATOM 0 HA ALA A 9 1.483 17.095 10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.489 17.574 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.087 18.946 10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.343 19.000 8.394 1.00 0.00 H new ATOM 90 N GLN A 10 1.731 15.531 8.538 1.00 0.00 N ATOM 91 CA GLN A 10 2.102 14.571 7.505 1.00 0.00 C ATOM 92 C GLN A 10 1.066 13.457 7.399 1.00 0.00 C ATOM 93 O GLN A 10 0.742 12.800 8.390 1.00 0.00 O ATOM 94 CB GLN A 10 3.480 13.977 7.803 1.00 0.00 C ATOM 95 CG GLN A 10 3.532 13.182 9.097 1.00 0.00 C ATOM 96 CD GLN A 10 4.945 13.010 9.620 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.917 13.255 8.906 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.065 12.586 10.872 1.00 0.00 N ATOM 0 H GLN A 10 1.230 15.127 9.330 1.00 0.00 H new ATOM 0 HA GLN A 10 2.140 15.098 6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.774 13.330 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.211 14.784 7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.928 13.685 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.087 12.200 8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.231 12.395 11.428 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.991 12.451 11.278 1.00 0.00 H new ATOM 107 N LEU A 11 0.550 13.248 6.194 1.00 0.00 N ATOM 108 CA LEU A 11 -0.451 12.213 5.959 1.00 0.00 C ATOM 109 C LEU A 11 -0.032 10.895 6.601 1.00 0.00 C ATOM 110 O LEU A 11 0.986 10.308 6.233 1.00 0.00 O ATOM 111 CB LEU A 11 -0.666 12.016 4.457 1.00 0.00 C ATOM 112 CG LEU A 11 -2.058 11.543 4.035 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.131 12.427 4.651 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.180 11.532 2.518 1.00 0.00 C ATOM 0 H LEU A 11 0.808 13.781 5.364 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.387 12.537 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.457 12.960 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.066 11.293 4.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.201 10.525 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.115 12.076 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.058 12.385 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.991 13.455 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.177 11.193 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.016 12.538 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.434 10.857 2.098 1.00 0.00 H new ATOM 126 N THR A 12 -0.824 10.433 7.563 1.00 0.00 N ATOM 127 CA THR A 12 -0.536 9.183 8.256 1.00 0.00 C ATOM 128 C THR A 12 -1.784 8.314 8.365 1.00 0.00 C ATOM 129 O THR A 12 -2.902 8.789 8.161 1.00 0.00 O ATOM 130 CB THR A 12 0.020 9.440 9.669 1.00 0.00 C ATOM 131 OG1 THR A 12 0.589 8.237 10.198 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.074 9.942 10.599 1.00 0.00 C ATOM 0 H THR A 12 -1.670 10.906 7.880 1.00 0.00 H new ATOM 0 HA THR A 12 0.217 8.661 7.666 1.00 0.00 H new ATOM 0 HB THR A 12 0.792 10.206 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.942 8.409 11.096 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.657 10.116 11.591 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.484 10.874 10.209 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.866 9.196 10.665 1.00 0.00 H new ATOM 140 N ILE A 13 -1.586 7.041 8.687 1.00 0.00 N ATOM 141 CA ILE A 13 -2.697 6.106 8.824 1.00 0.00 C ATOM 142 C ILE A 13 -2.561 5.274 10.094 1.00 0.00 C ATOM 143 O ILE A 13 -1.477 4.791 10.417 1.00 0.00 O ATOM 144 CB ILE A 13 -2.790 5.161 7.611 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.269 5.927 6.376 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.724 3.999 7.916 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.219 5.111 5.103 1.00 0.00 C ATOM 0 H ILE A 13 -0.667 6.633 8.858 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.607 6.703 8.880 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.798 4.760 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.292 6.265 6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.655 6.819 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.780 3.340 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.344 3.442 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.718 4.382 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.572 5.717 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.193 4.795 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.855 4.232 5.209 1.00 0.00 H new ATOM 159 N GLU A 14 -3.670 5.109 10.808 1.00 0.00 N ATOM 160 CA GLU A 14 -3.675 4.333 12.043 1.00 0.00 C ATOM 161 C GLU A 14 -4.745 3.247 11.999 1.00 0.00 C ATOM 162 O GLU A 14 -5.936 3.528 12.131 1.00 0.00 O ATOM 163 CB GLU A 14 -3.911 5.249 13.246 1.00 0.00 C ATOM 164 CG GLU A 14 -4.027 4.503 14.565 1.00 0.00 C ATOM 165 CD GLU A 14 -4.456 5.403 15.707 1.00 0.00 C ATOM 166 OE1 GLU A 14 -3.750 6.396 15.977 1.00 0.00 O ATOM 167 OE2 GLU A 14 -5.498 5.113 16.332 1.00 0.00 O ATOM 0 H GLU A 14 -4.576 5.502 10.553 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.701 3.855 12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.091 5.964 13.314 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.823 5.823 13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.746 3.691 14.457 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.066 4.048 14.807 1.00 0.00 H new ATOM 174 N ALA A 15 -4.312 2.004 11.812 1.00 0.00 N ATOM 175 CA ALA A 15 -5.231 0.875 11.752 1.00 0.00 C ATOM 176 C ALA A 15 -6.184 0.879 12.942 1.00 0.00 C ATOM 177 O ALA A 15 -5.760 1.024 14.089 1.00 0.00 O ATOM 178 CB ALA A 15 -4.457 -0.434 11.697 1.00 0.00 C ATOM 0 H ALA A 15 -3.330 1.754 11.699 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.826 0.971 10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.157 -1.269 11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.823 -0.445 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.837 -0.528 12.588 1.00 0.00 H new ATOM 184 N VAL A 16 -7.474 0.721 12.663 1.00 0.00 N ATOM 185 CA VAL A 16 -8.487 0.706 13.711 1.00 0.00 C ATOM 186 C VAL A 16 -9.511 -0.397 13.470 1.00 0.00 C ATOM 187 O VAL A 16 -10.361 -0.307 12.583 1.00 0.00 O ATOM 188 CB VAL A 16 -9.219 2.058 13.804 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.325 1.997 14.846 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.236 3.174 14.123 1.00 0.00 C ATOM 0 H VAL A 16 -7.842 0.602 11.719 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.967 0.517 14.650 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.676 2.271 12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.830 2.961 14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.043 1.225 14.570 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.895 1.761 15.819 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.770 4.122 14.185 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.749 2.969 15.076 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.484 3.232 13.336 1.00 0.00 H new ATOM 200 N PRO A 17 -9.431 -1.466 14.277 1.00 0.00 N ATOM 201 CA PRO A 17 -8.424 -1.584 15.335 1.00 0.00 C ATOM 202 C PRO A 17 -7.018 -1.778 14.778 1.00 0.00 C ATOM 203 O PRO A 17 -6.837 -1.960 13.574 1.00 0.00 O ATOM 204 CB PRO A 17 -8.867 -2.828 16.110 1.00 0.00 C ATOM 205 CG PRO A 17 -9.641 -3.633 15.123 1.00 0.00 C ATOM 206 CD PRO A 17 -10.318 -2.640 14.219 1.00 0.00 C ATOM 0 HA PRO A 17 -8.367 -0.682 15.945 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.010 -3.384 16.489 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.480 -2.561 16.971 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.984 -4.292 14.556 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.373 -4.267 15.624 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.413 -3.022 13.203 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.324 -2.401 14.566 1.00 0.00 H new ATOM 214 N SER A 18 -6.025 -1.736 15.661 1.00 0.00 N ATOM 215 CA SER A 18 -4.634 -1.904 15.256 1.00 0.00 C ATOM 216 C SER A 18 -4.329 -3.368 14.954 1.00 0.00 C ATOM 217 O SER A 18 -3.398 -3.679 14.212 1.00 0.00 O ATOM 218 CB SER A 18 -3.697 -1.390 16.350 1.00 0.00 C ATOM 219 OG SER A 18 -2.362 -1.310 15.882 1.00 0.00 O ATOM 0 H SER A 18 -6.158 -1.587 16.661 1.00 0.00 H new ATOM 0 HA SER A 18 -4.473 -1.323 14.348 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.028 -0.407 16.684 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.744 -2.053 17.214 1.00 0.00 H new ATOM 0 HG SER A 18 -1.941 -2.193 15.940 1.00 0.00 H new ATOM 225 N ASN A 19 -5.120 -4.263 15.537 1.00 0.00 N ATOM 226 CA ASN A 19 -4.934 -5.695 15.332 1.00 0.00 C ATOM 227 C ASN A 19 -6.259 -6.440 15.466 1.00 0.00 C ATOM 228 O ASN A 19 -6.766 -6.631 16.571 1.00 0.00 O ATOM 229 CB ASN A 19 -3.921 -6.248 16.336 1.00 0.00 C ATOM 230 CG ASN A 19 -2.552 -5.613 16.185 1.00 0.00 C ATOM 231 OD1 ASN A 19 -2.451 -4.336 16.535 1.00 0.00 O flip ATOM 232 ND2 ASN A 19 -1.598 -6.264 15.760 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.895 -4.022 16.155 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.553 -5.846 14.322 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.287 -6.079 17.348 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.835 -7.327 16.204 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.723 -7.243 15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.683 -5.824 15.665 1.00 0.00 H new ATOM 239 N ALA A 20 -6.815 -6.857 14.334 1.00 0.00 N ATOM 240 CA ALA A 20 -8.079 -7.583 14.325 1.00 0.00 C ATOM 241 C ALA A 20 -7.851 -9.079 14.131 1.00 0.00 C ATOM 242 O ALA A 20 -6.712 -9.542 14.084 1.00 0.00 O ATOM 243 CB ALA A 20 -8.991 -7.041 13.235 1.00 0.00 C ATOM 0 H ALA A 20 -6.410 -6.705 13.410 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.560 -7.437 15.292 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.931 -7.592 13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.189 -5.985 13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.507 -7.157 12.265 1.00 0.00 H new ATOM 249 N ALA A 21 -8.943 -9.829 14.019 1.00 0.00 N ATOM 250 CA ALA A 21 -8.862 -11.272 13.829 1.00 0.00 C ATOM 251 C ALA A 21 -9.574 -11.697 12.550 1.00 0.00 C ATOM 252 O ALA A 21 -10.419 -10.971 12.028 1.00 0.00 O ATOM 253 CB ALA A 21 -9.452 -11.996 15.030 1.00 0.00 C ATOM 0 H ALA A 21 -9.894 -9.461 14.057 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.811 -11.544 13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.385 -13.073 14.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.897 -11.724 15.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.497 -11.711 15.149 1.00 0.00 H new ATOM 259 N GLU A 22 -9.226 -12.879 12.049 1.00 0.00 N ATOM 260 CA GLU A 22 -9.832 -13.399 10.829 1.00 0.00 C ATOM 261 C GLU A 22 -11.345 -13.198 10.844 1.00 0.00 C ATOM 262 O GLU A 22 -12.015 -13.524 11.823 1.00 0.00 O ATOM 263 CB GLU A 22 -9.506 -14.885 10.665 1.00 0.00 C ATOM 264 CG GLU A 22 -8.183 -15.144 9.964 1.00 0.00 C ATOM 265 CD GLU A 22 -7.805 -16.613 9.955 1.00 0.00 C ATOM 266 OE1 GLU A 22 -8.154 -17.320 10.923 1.00 0.00 O ATOM 267 OE2 GLU A 22 -7.161 -17.054 8.980 1.00 0.00 O ATOM 0 H GLU A 22 -8.528 -13.493 12.469 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.418 -12.848 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.484 -15.354 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.306 -15.364 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.243 -14.782 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.397 -14.573 10.458 1.00 0.00 H new ATOM 274 N GLY A 23 -11.875 -12.658 9.751 1.00 0.00 N ATOM 275 CA GLY A 23 -13.304 -12.421 9.659 1.00 0.00 C ATOM 276 C GLY A 23 -13.694 -11.036 10.136 1.00 0.00 C ATOM 277 O GLY A 23 -14.745 -10.515 9.760 1.00 0.00 O ATOM 0 H GLY A 23 -11.341 -12.380 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.625 -12.549 8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.832 -13.168 10.252 1.00 0.00 H new ATOM 281 N LYS A 24 -12.848 -10.438 10.967 1.00 0.00 N ATOM 282 CA LYS A 24 -13.109 -9.105 11.497 1.00 0.00 C ATOM 283 C LYS A 24 -12.888 -8.041 10.426 1.00 0.00 C ATOM 284 O LYS A 24 -12.549 -8.356 9.286 1.00 0.00 O ATOM 285 CB LYS A 24 -12.206 -8.827 12.701 1.00 0.00 C ATOM 286 CG LYS A 24 -12.462 -9.751 13.879 1.00 0.00 C ATOM 287 CD LYS A 24 -13.740 -9.381 14.612 1.00 0.00 C ATOM 288 CE LYS A 24 -13.494 -8.294 15.647 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.760 -7.631 16.066 1.00 0.00 N ATOM 0 H LYS A 24 -11.975 -10.856 11.288 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.151 -9.065 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.165 -8.924 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.349 -7.795 13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.529 -10.780 13.527 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.619 -9.704 14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.486 -9.040 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.149 -10.265 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.005 -8.727 16.519 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.812 -7.549 15.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.550 -6.897 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.214 -7.196 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.401 -8.337 16.481 1.00 0.00 H new ATOM 303 N GLU A 25 -13.080 -6.780 10.802 1.00 0.00 N ATOM 304 CA GLU A 25 -12.901 -5.671 9.874 1.00 0.00 C ATOM 305 C GLU A 25 -11.904 -4.655 10.425 1.00 0.00 C ATOM 306 O GLU A 25 -11.855 -4.407 11.629 1.00 0.00 O ATOM 307 CB GLU A 25 -14.241 -4.987 9.596 1.00 0.00 C ATOM 308 CG GLU A 25 -15.042 -4.685 10.852 1.00 0.00 C ATOM 309 CD GLU A 25 -16.228 -3.779 10.584 1.00 0.00 C ATOM 310 OE1 GLU A 25 -17.196 -4.241 9.945 1.00 0.00 O ATOM 311 OE2 GLU A 25 -16.187 -2.607 11.015 1.00 0.00 O ATOM 0 H GLU A 25 -13.359 -6.502 11.743 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.506 -6.073 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.060 -4.056 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.835 -5.624 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.395 -5.620 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.391 -4.216 11.590 1.00 0.00 H new ATOM 318 N VAL A 26 -11.109 -4.072 9.533 1.00 0.00 N ATOM 319 CA VAL A 26 -10.113 -3.083 9.929 1.00 0.00 C ATOM 320 C VAL A 26 -10.305 -1.775 9.169 1.00 0.00 C ATOM 321 O VAL A 26 -10.197 -1.735 7.943 1.00 0.00 O ATOM 322 CB VAL A 26 -8.682 -3.600 9.687 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.660 -2.538 10.063 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.441 -4.884 10.465 1.00 0.00 C ATOM 0 H VAL A 26 -11.135 -4.267 8.532 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.251 -2.904 10.995 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.568 -3.819 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.655 -2.921 9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.821 -1.647 9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.770 -2.284 11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.425 -5.235 10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.573 -4.694 11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.151 -5.645 10.141 1.00 0.00 H new ATOM 334 N LEU A 27 -10.590 -0.706 9.905 1.00 0.00 N ATOM 335 CA LEU A 27 -10.796 0.605 9.301 1.00 0.00 C ATOM 336 C LEU A 27 -9.517 1.434 9.349 1.00 0.00 C ATOM 337 O LEU A 27 -9.108 1.904 10.412 1.00 0.00 O ATOM 338 CB LEU A 27 -11.925 1.347 10.018 1.00 0.00 C ATOM 339 CG LEU A 27 -12.021 2.849 9.747 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.886 3.117 8.525 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.574 3.576 10.964 1.00 0.00 C ATOM 0 H LEU A 27 -10.684 -0.722 10.921 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.072 0.457 8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.872 0.886 9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.806 1.199 11.091 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.019 3.227 9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.943 4.191 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.448 2.628 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.888 2.724 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.635 4.644 10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.568 3.194 11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.915 3.412 11.816 1.00 0.00 H new ATOM 353 N LEU A 28 -8.890 1.613 8.191 1.00 0.00 N ATOM 354 CA LEU A 28 -7.658 2.388 8.100 1.00 0.00 C ATOM 355 C LEU A 28 -7.956 3.884 8.067 1.00 0.00 C ATOM 356 O LEU A 28 -8.273 4.442 7.016 1.00 0.00 O ATOM 357 CB LEU A 28 -6.870 1.986 6.852 1.00 0.00 C ATOM 358 CG LEU A 28 -6.396 0.534 6.796 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.922 0.180 5.395 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.288 0.295 7.812 1.00 0.00 C ATOM 0 H LEU A 28 -9.215 1.232 7.302 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.058 2.175 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.491 2.178 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.998 2.635 6.773 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.237 -0.112 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.588 -0.858 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.742 0.311 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.095 0.832 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.963 -0.744 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.445 0.951 7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.661 0.507 8.814 1.00 0.00 H new ATOM 372 N LEU A 29 -7.851 4.528 9.224 1.00 0.00 N ATOM 373 CA LEU A 29 -8.107 5.961 9.328 1.00 0.00 C ATOM 374 C LEU A 29 -6.906 6.766 8.842 1.00 0.00 C ATOM 375 O LEU A 29 -5.773 6.285 8.865 1.00 0.00 O ATOM 376 CB LEU A 29 -8.436 6.336 10.774 1.00 0.00 C ATOM 377 CG LEU A 29 -9.914 6.285 11.161 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.076 6.405 12.669 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.690 7.384 10.451 1.00 0.00 C ATOM 0 H LEU A 29 -7.591 4.081 10.103 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.961 6.200 8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.885 5.668 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.067 7.345 10.960 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.318 5.322 10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.135 6.367 12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.554 5.582 13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.655 7.352 13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.740 7.332 10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.284 8.356 10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.602 7.253 9.372 1.00 0.00 H new ATOM 391 N VAL A 30 -7.162 7.994 8.404 1.00 0.00 N ATOM 392 CA VAL A 30 -6.101 8.868 7.915 1.00 0.00 C ATOM 393 C VAL A 30 -6.126 10.214 8.630 1.00 0.00 C ATOM 394 O VAL A 30 -7.176 10.847 8.750 1.00 0.00 O ATOM 395 CB VAL A 30 -6.222 9.102 6.398 1.00 0.00 C ATOM 396 CG1 VAL A 30 -4.852 9.356 5.786 1.00 0.00 C ATOM 397 CG2 VAL A 30 -6.902 7.917 5.729 1.00 0.00 C ATOM 0 H VAL A 30 -8.094 8.407 8.377 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.156 8.367 8.123 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.837 9.986 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.957 9.519 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.406 10.238 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.210 8.493 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.979 8.099 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.315 7.015 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.900 7.786 6.148 1.00 0.00 H new ATOM 407 N HIS A 31 -4.962 10.648 9.103 1.00 0.00 N ATOM 408 CA HIS A 31 -4.849 11.921 9.806 1.00 0.00 C ATOM 409 C HIS A 31 -4.060 12.931 8.977 1.00 0.00 C ATOM 410 O HIS A 31 -3.414 12.571 7.994 1.00 0.00 O ATOM 411 CB HIS A 31 -4.176 11.721 11.164 1.00 0.00 C ATOM 412 CG HIS A 31 -4.650 10.501 11.893 1.00 0.00 C ATOM 413 ND1 HIS A 31 -5.979 10.258 12.169 1.00 0.00 N ATOM 414 CD2 HIS A 31 -3.963 9.452 12.402 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.089 9.113 12.818 1.00 0.00 C ATOM 416 NE2 HIS A 31 -4.880 8.603 12.972 1.00 0.00 N ATOM 0 H HIS A 31 -4.084 10.137 9.012 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.854 12.312 9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.098 11.652 11.019 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.359 12.599 11.784 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.756 10.867 11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.893 9.309 12.367 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.011 8.669 13.164 1.00 0.00 H new ATOM 425 N ASN A 32 -4.118 14.195 9.382 1.00 0.00 N ATOM 426 CA ASN A 32 -3.409 15.257 8.676 1.00 0.00 C ATOM 427 C ASN A 32 -3.826 15.307 7.209 1.00 0.00 C ATOM 428 O ASN A 32 -3.070 15.769 6.353 1.00 0.00 O ATOM 429 CB ASN A 32 -1.898 15.048 8.782 1.00 0.00 C ATOM 430 CG ASN A 32 -1.385 15.241 10.196 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.642 16.266 10.827 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.654 14.254 10.700 1.00 0.00 N ATOM 0 H ASN A 32 -4.648 14.509 10.195 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.671 16.207 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.648 14.043 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.390 15.745 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.281 14.328 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.466 13.422 10.141 1.00 0.00 H new ATOM 439 N LEU A 33 -5.033 14.830 6.926 1.00 0.00 N ATOM 440 CA LEU A 33 -5.551 14.820 5.563 1.00 0.00 C ATOM 441 C LEU A 33 -5.350 16.176 4.894 1.00 0.00 C ATOM 442 O LEU A 33 -5.182 17.202 5.554 1.00 0.00 O ATOM 443 CB LEU A 33 -7.036 14.454 5.563 1.00 0.00 C ATOM 444 CG LEU A 33 -7.359 12.959 5.585 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.851 12.738 5.779 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.882 12.292 4.303 1.00 0.00 C ATOM 0 H LEU A 33 -5.671 14.445 7.622 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.998 14.070 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.504 14.919 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.498 14.892 4.678 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.833 12.505 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.062 11.669 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.165 13.181 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.398 13.206 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.120 11.229 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.380 12.749 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.804 12.420 4.206 1.00 0.00 H new ATOM 458 N PRO A 34 -5.370 16.184 3.553 1.00 0.00 N ATOM 459 CA PRO A 34 -5.195 17.408 2.766 1.00 0.00 C ATOM 460 C PRO A 34 -6.387 18.351 2.887 1.00 0.00 C ATOM 461 O PRO A 34 -7.360 18.050 3.578 1.00 0.00 O ATOM 462 CB PRO A 34 -5.066 16.892 1.331 1.00 0.00 C ATOM 463 CG PRO A 34 -5.779 15.584 1.333 1.00 0.00 C ATOM 464 CD PRO A 34 -5.567 14.999 2.702 1.00 0.00 C ATOM 0 HA PRO A 34 -4.337 17.990 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.514 17.586 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.021 16.773 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.841 15.718 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.385 14.923 0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.426 14.411 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.701 14.338 2.727 1.00 0.00 H new ATOM 472 N GLN A 35 -6.305 19.492 2.210 1.00 0.00 N ATOM 473 CA GLN A 35 -7.378 20.479 2.243 1.00 0.00 C ATOM 474 C GLN A 35 -8.531 20.060 1.337 1.00 0.00 C ATOM 475 O GLN A 35 -9.678 19.975 1.774 1.00 0.00 O ATOM 476 CB GLN A 35 -6.852 21.850 1.818 1.00 0.00 C ATOM 477 CG GLN A 35 -6.301 21.878 0.401 1.00 0.00 C ATOM 478 CD GLN A 35 -5.516 23.141 0.104 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.050 24.102 -0.449 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.240 23.145 0.473 1.00 0.00 N ATOM 0 H GLN A 35 -5.507 19.756 1.632 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.748 20.542 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.657 22.580 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.069 22.160 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.658 21.011 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.125 21.792 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.838 22.326 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.662 23.967 0.300 1.00 0.00 H new ATOM 489 N ASP A 36 -8.218 19.799 0.072 1.00 0.00 N ATOM 490 CA ASP A 36 -9.227 19.388 -0.896 1.00 0.00 C ATOM 491 C ASP A 36 -8.781 18.140 -1.650 1.00 0.00 C ATOM 492 O ASP A 36 -8.219 18.212 -2.743 1.00 0.00 O ATOM 493 CB ASP A 36 -9.509 20.522 -1.884 1.00 0.00 C ATOM 494 CG ASP A 36 -8.242 21.218 -2.342 1.00 0.00 C ATOM 495 OD1 ASP A 36 -7.210 20.532 -2.492 1.00 0.00 O ATOM 496 OD2 ASP A 36 -8.283 22.449 -2.551 1.00 0.00 O ATOM 0 H ASP A 36 -7.273 19.865 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.142 19.154 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.035 20.122 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.172 21.250 -1.417 1.00 0.00 H new ATOM 501 N PRO A 37 -9.034 16.966 -1.053 1.00 0.00 N ATOM 502 CA PRO A 37 -8.666 15.678 -1.650 1.00 0.00 C ATOM 503 C PRO A 37 -9.507 15.347 -2.878 1.00 0.00 C ATOM 504 O PRO A 37 -10.489 14.609 -2.790 1.00 0.00 O ATOM 505 CB PRO A 37 -8.942 14.675 -0.527 1.00 0.00 C ATOM 506 CG PRO A 37 -9.980 15.328 0.318 1.00 0.00 C ATOM 507 CD PRO A 37 -9.701 16.804 0.250 1.00 0.00 C ATOM 0 HA PRO A 37 -7.634 15.672 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.296 13.724 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.039 14.465 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.981 15.103 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.930 14.968 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.619 17.389 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.063 17.131 1.071 1.00 0.00 H new ATOM 515 N ARG A 38 -9.117 15.897 -4.023 1.00 0.00 N ATOM 516 CA ARG A 38 -9.835 15.660 -5.269 1.00 0.00 C ATOM 517 C ARG A 38 -10.365 14.231 -5.328 1.00 0.00 C ATOM 518 O ARG A 38 -11.414 13.970 -5.915 1.00 0.00 O ATOM 519 CB ARG A 38 -8.923 15.927 -6.468 1.00 0.00 C ATOM 520 CG ARG A 38 -9.669 16.380 -7.712 1.00 0.00 C ATOM 521 CD ARG A 38 -8.722 16.596 -8.882 1.00 0.00 C ATOM 522 NE ARG A 38 -9.437 16.725 -10.149 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.871 16.531 -11.335 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.590 16.202 -11.416 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.588 16.667 -12.443 1.00 0.00 N ATOM 0 H ARG A 38 -8.307 16.510 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.682 16.345 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.192 16.689 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.366 15.019 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.417 15.634 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.204 17.306 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.129 17.494 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.025 15.760 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.425 16.978 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.036 16.097 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.158 16.054 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.574 16.921 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.153 16.518 -13.353 1.00 0.00 H new ATOM 539 N GLY A 39 -9.631 13.307 -4.715 1.00 0.00 N ATOM 540 CA GLY A 39 -10.042 11.915 -4.710 1.00 0.00 C ATOM 541 C GLY A 39 -9.065 11.025 -3.969 1.00 0.00 C ATOM 542 O GLY A 39 -7.890 11.363 -3.828 1.00 0.00 O ATOM 0 H GLY A 39 -8.759 13.498 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.026 11.832 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.141 11.565 -5.737 1.00 0.00 H new ATOM 546 N TYR A 40 -9.551 9.883 -3.493 1.00 0.00 N ATOM 547 CA TYR A 40 -8.713 8.943 -2.759 1.00 0.00 C ATOM 548 C TYR A 40 -8.385 7.723 -3.614 1.00 0.00 C ATOM 549 O TYR A 40 -9.174 7.318 -4.466 1.00 0.00 O ATOM 550 CB TYR A 40 -9.411 8.504 -1.471 1.00 0.00 C ATOM 551 CG TYR A 40 -10.039 9.645 -0.703 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.267 10.700 -0.232 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.405 9.669 -0.451 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.837 11.744 0.470 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.984 10.710 0.249 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.196 11.745 0.708 1.00 0.00 C ATOM 557 OH TYR A 40 -11.767 12.784 1.406 1.00 0.00 O ATOM 0 H TYR A 40 -10.521 9.587 -3.603 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.781 9.448 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.183 7.774 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.688 8.000 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.203 10.704 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.025 8.860 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.222 12.555 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.048 10.713 0.436 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.441 12.432 2.024 1.00 0.00 H new ATOM 567 N ASN A 41 -7.213 7.141 -3.379 1.00 0.00 N ATOM 568 CA ASN A 41 -6.779 5.967 -4.126 1.00 0.00 C ATOM 569 C ASN A 41 -5.911 5.060 -3.259 1.00 0.00 C ATOM 570 O ASN A 41 -4.843 5.463 -2.798 1.00 0.00 O ATOM 571 CB ASN A 41 -6.005 6.390 -5.376 1.00 0.00 C ATOM 572 CG ASN A 41 -6.909 6.584 -6.578 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.329 5.618 -7.216 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.212 7.838 -6.893 1.00 0.00 N ATOM 0 H ASN A 41 -6.547 7.464 -2.677 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.666 5.410 -4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.471 7.318 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.254 5.635 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.816 8.031 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.841 8.608 -6.336 1.00 0.00 H new ATOM 581 N TRP A 42 -6.376 3.835 -3.043 1.00 0.00 N ATOM 582 CA TRP A 42 -5.642 2.871 -2.232 1.00 0.00 C ATOM 583 C TRP A 42 -4.877 1.889 -3.113 1.00 0.00 C ATOM 584 O TRP A 42 -5.201 1.712 -4.287 1.00 0.00 O ATOM 585 CB TRP A 42 -6.600 2.111 -1.313 1.00 0.00 C ATOM 586 CG TRP A 42 -7.087 2.930 -0.156 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.157 3.777 -0.144 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.519 2.978 1.158 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.289 4.351 1.098 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.297 3.876 1.915 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.431 2.350 1.769 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.019 4.160 3.249 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.156 2.633 3.093 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.948 3.530 3.822 1.00 0.00 C ATOM 0 H TRP A 42 -7.258 3.486 -3.418 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.924 3.419 -1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.457 1.771 -1.894 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.099 1.221 -0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.805 3.968 -0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.009 5.022 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.816 1.656 1.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.627 4.853 3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.316 2.155 3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.708 3.728 4.856 1.00 0.00 H new ATOM 605 N TYR A 43 -3.862 1.253 -2.539 1.00 0.00 N ATOM 606 CA TYR A 43 -3.050 0.290 -3.274 1.00 0.00 C ATOM 607 C TYR A 43 -2.469 -0.762 -2.334 1.00 0.00 C ATOM 608 O TYR A 43 -2.505 -0.609 -1.113 1.00 0.00 O ATOM 609 CB TYR A 43 -1.920 1.006 -4.017 1.00 0.00 C ATOM 610 CG TYR A 43 -2.393 2.161 -4.870 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.481 3.446 -4.347 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.753 1.969 -6.198 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.913 4.504 -5.122 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.185 3.022 -6.980 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.264 4.287 -6.438 1.00 0.00 C ATOM 616 OH TYR A 43 -3.695 5.339 -7.214 1.00 0.00 O ATOM 0 H TYR A 43 -3.582 1.387 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.692 -0.211 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.195 1.374 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.400 0.287 -4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.207 3.620 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.694 0.979 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.976 5.496 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.460 2.855 -8.011 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.901 5.017 -8.116 1.00 0.00 H new ATOM 626 N LYS A 44 -1.932 -1.831 -2.912 1.00 0.00 N ATOM 627 CA LYS A 44 -1.341 -2.909 -2.130 1.00 0.00 C ATOM 628 C LYS A 44 0.181 -2.884 -2.230 1.00 0.00 C ATOM 629 O LYS A 44 0.742 -2.946 -3.324 1.00 0.00 O ATOM 630 CB LYS A 44 -1.871 -4.263 -2.606 1.00 0.00 C ATOM 631 CG LYS A 44 -1.663 -5.385 -1.604 1.00 0.00 C ATOM 632 CD LYS A 44 -2.666 -6.509 -1.808 1.00 0.00 C ATOM 633 CE LYS A 44 -3.987 -6.209 -1.117 1.00 0.00 C ATOM 634 NZ LYS A 44 -5.029 -7.219 -1.451 1.00 0.00 N ATOM 0 H LYS A 44 -1.894 -1.974 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.622 -2.762 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.936 -4.172 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.379 -4.527 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.651 -5.778 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.757 -4.992 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.837 -6.656 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.254 -7.441 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.836 -6.187 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.334 -5.218 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.914 -6.980 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.192 -7.223 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.709 -8.161 -1.148 1.00 0.00 H new ATOM 648 N GLY A 45 0.844 -2.793 -1.081 1.00 0.00 N ATOM 649 CA GLY A 45 2.295 -2.762 -1.063 1.00 0.00 C ATOM 650 C GLY A 45 2.840 -1.615 -0.235 1.00 0.00 C ATOM 651 O GLY A 45 2.177 -1.136 0.685 1.00 0.00 O ATOM 0 H GLY A 45 0.403 -2.740 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.671 -3.704 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.666 -2.677 -2.084 1.00 0.00 H new ATOM 655 N GLU A 46 4.052 -1.176 -0.560 1.00 0.00 N ATOM 656 CA GLU A 46 4.686 -0.080 0.164 1.00 0.00 C ATOM 657 C GLU A 46 5.017 1.074 -0.778 1.00 0.00 C ATOM 658 O GLU A 46 5.992 1.799 -0.573 1.00 0.00 O ATOM 659 CB GLU A 46 5.959 -0.567 0.858 1.00 0.00 C ATOM 660 CG GLU A 46 5.694 -1.412 2.093 1.00 0.00 C ATOM 661 CD GLU A 46 6.906 -2.217 2.521 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.969 -1.606 2.758 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.791 -3.456 2.618 1.00 0.00 O ATOM 0 H GLU A 46 4.614 -1.562 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 46 3.984 0.278 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.549 -1.149 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.561 0.296 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.385 -0.763 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.864 -2.090 1.893 1.00 0.00 H new ATOM 670 N THR A 47 4.199 1.240 -1.813 1.00 0.00 N ATOM 671 CA THR A 47 4.404 2.304 -2.788 1.00 0.00 C ATOM 672 C THR A 47 3.244 2.378 -3.774 1.00 0.00 C ATOM 673 O THR A 47 2.383 1.498 -3.802 1.00 0.00 O ATOM 674 CB THR A 47 5.716 2.103 -3.570 1.00 0.00 C ATOM 675 OG1 THR A 47 5.588 2.645 -4.889 1.00 0.00 O ATOM 676 CG2 THR A 47 6.074 0.627 -3.656 1.00 0.00 C ATOM 0 H THR A 47 3.387 0.650 -1.998 1.00 0.00 H new ATOM 0 HA THR A 47 4.462 3.238 -2.229 1.00 0.00 H new ATOM 0 HB THR A 47 6.513 2.624 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.427 2.515 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.004 0.510 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.199 0.224 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.276 0.088 -4.166 1.00 0.00 H new ATOM 684 N VAL A 48 3.227 3.432 -4.582 1.00 0.00 N ATOM 685 CA VAL A 48 2.173 3.620 -5.572 1.00 0.00 C ATOM 686 C VAL A 48 2.235 2.546 -6.652 1.00 0.00 C ATOM 687 O VAL A 48 3.090 2.589 -7.537 1.00 0.00 O ATOM 688 CB VAL A 48 2.267 5.006 -6.237 1.00 0.00 C ATOM 689 CG1 VAL A 48 1.188 5.165 -7.297 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.165 6.106 -5.191 1.00 0.00 C ATOM 0 H VAL A 48 3.931 4.170 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 48 1.224 3.544 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 48 3.237 5.090 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.271 6.150 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.313 4.398 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.206 5.061 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.233 7.079 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.210 6.027 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.978 6.002 -4.473 1.00 0.00 H new ATOM 700 N ASP A 49 1.324 1.582 -6.573 1.00 0.00 N ATOM 701 CA ASP A 49 1.274 0.496 -7.545 1.00 0.00 C ATOM 702 C ASP A 49 -0.075 0.467 -8.258 1.00 0.00 C ATOM 703 O ASP A 49 -1.058 -0.049 -7.726 1.00 0.00 O ATOM 704 CB ASP A 49 1.530 -0.845 -6.856 1.00 0.00 C ATOM 705 CG ASP A 49 3.008 -1.160 -6.735 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.664 -0.593 -5.837 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.510 -1.974 -7.540 1.00 0.00 O ATOM 0 H ASP A 49 0.610 1.531 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 49 2.053 0.669 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.082 -0.831 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.037 -1.639 -7.417 1.00 0.00 H new ATOM 712 N ALA A 50 -0.114 1.024 -9.463 1.00 0.00 N ATOM 713 CA ALA A 50 -1.341 1.060 -10.249 1.00 0.00 C ATOM 714 C ALA A 50 -1.814 -0.347 -10.595 1.00 0.00 C ATOM 715 O ALA A 50 -3.006 -0.583 -10.783 1.00 0.00 O ATOM 716 CB ALA A 50 -1.132 1.875 -11.517 1.00 0.00 C ATOM 0 H ALA A 50 0.690 1.457 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.114 1.537 -9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.056 1.893 -12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.849 2.894 -11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.340 1.422 -12.114 1.00 0.00 H new ATOM 722 N ASN A 51 -0.870 -1.280 -10.676 1.00 0.00 N ATOM 723 CA ASN A 51 -1.191 -2.665 -11.001 1.00 0.00 C ATOM 724 C ASN A 51 -1.887 -3.351 -9.829 1.00 0.00 C ATOM 725 O ASN A 51 -2.609 -4.332 -10.011 1.00 0.00 O ATOM 726 CB ASN A 51 0.080 -3.431 -11.373 1.00 0.00 C ATOM 727 CG ASN A 51 0.544 -3.130 -12.785 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.262 -3.059 -13.713 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.849 -2.952 -12.954 1.00 0.00 N ATOM 0 H ASN A 51 0.122 -1.102 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.870 -2.664 -11.854 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.873 -3.176 -10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.102 -4.501 -11.274 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.220 -2.747 -13.882 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.481 -3.020 -12.156 1.00 0.00 H new ATOM 736 N ARG A 52 -1.664 -2.829 -8.628 1.00 0.00 N ATOM 737 CA ARG A 52 -2.269 -3.391 -7.426 1.00 0.00 C ATOM 738 C ARG A 52 -3.317 -2.443 -6.850 1.00 0.00 C ATOM 739 O ARG A 52 -3.628 -2.494 -5.660 1.00 0.00 O ATOM 740 CB ARG A 52 -1.195 -3.680 -6.376 1.00 0.00 C ATOM 741 CG ARG A 52 -0.113 -4.633 -6.857 1.00 0.00 C ATOM 742 CD ARG A 52 -0.692 -5.987 -7.235 1.00 0.00 C ATOM 743 NE ARG A 52 0.351 -6.960 -7.549 1.00 0.00 N ATOM 744 CZ ARG A 52 0.110 -8.138 -8.115 1.00 0.00 C ATOM 745 NH1 ARG A 52 -1.130 -8.487 -8.426 1.00 0.00 N ATOM 746 NH2 ARG A 52 1.113 -8.969 -8.370 1.00 0.00 N ATOM 0 H ARG A 52 -1.069 -2.018 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.760 -4.325 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.732 -2.741 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.670 -4.100 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.397 -4.201 -7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.635 -4.761 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.302 -6.362 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.351 -5.872 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 52 1.317 -6.723 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.903 -7.851 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.311 -9.392 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.069 -8.703 -8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.928 -9.873 -8.804 1.00 0.00 H new ATOM 760 N ARG A 53 -3.857 -1.578 -7.702 1.00 0.00 N ATOM 761 CA ARG A 53 -4.868 -0.617 -7.278 1.00 0.00 C ATOM 762 C ARG A 53 -6.090 -1.330 -6.707 1.00 0.00 C ATOM 763 O ARG A 53 -6.877 -1.922 -7.446 1.00 0.00 O ATOM 764 CB ARG A 53 -5.284 0.270 -8.453 1.00 0.00 C ATOM 765 CG ARG A 53 -6.225 1.398 -8.061 1.00 0.00 C ATOM 766 CD ARG A 53 -6.105 2.578 -9.013 1.00 0.00 C ATOM 767 NE ARG A 53 -6.827 2.350 -10.261 1.00 0.00 N ATOM 768 CZ ARG A 53 -8.138 2.519 -10.394 1.00 0.00 C ATOM 769 NH1 ARG A 53 -8.866 2.915 -9.359 1.00 0.00 N ATOM 770 NH2 ARG A 53 -8.722 2.291 -11.563 1.00 0.00 N ATOM 0 H ARG A 53 -3.611 -1.523 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.435 0.007 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.391 0.696 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.766 -0.348 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.252 1.033 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.001 1.724 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.492 3.475 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.053 2.762 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.296 2.044 -11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.420 3.090 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.872 3.044 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.164 1.986 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.729 2.421 -11.664 1.00 0.00 H new ATOM 784 N ILE A 54 -6.241 -1.271 -5.388 1.00 0.00 N ATOM 785 CA ILE A 54 -7.366 -1.910 -4.719 1.00 0.00 C ATOM 786 C ILE A 54 -8.685 -1.249 -5.106 1.00 0.00 C ATOM 787 O ILE A 54 -9.637 -1.923 -5.499 1.00 0.00 O ATOM 788 CB ILE A 54 -7.212 -1.863 -3.187 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.864 -2.455 -2.770 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.355 -2.608 -2.516 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.413 -2.020 -1.394 1.00 0.00 C ATOM 0 H ILE A 54 -5.598 -0.787 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.375 -2.951 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.246 -0.822 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.931 -3.543 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.108 -2.166 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.231 -2.565 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.303 -2.145 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.352 -3.648 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.451 -2.478 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.314 -0.935 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.149 -2.333 -0.654 1.00 0.00 H new ATOM 803 N ILE A 55 -8.731 0.075 -4.995 1.00 0.00 N ATOM 804 CA ILE A 55 -9.931 0.828 -5.337 1.00 0.00 C ATOM 805 C ILE A 55 -9.659 2.328 -5.331 1.00 0.00 C ATOM 806 O ILE A 55 -8.903 2.829 -4.501 1.00 0.00 O ATOM 807 CB ILE A 55 -11.084 0.523 -4.362 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.410 1.031 -4.931 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.809 1.151 -3.004 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.612 0.245 -4.455 1.00 0.00 C ATOM 0 H ILE A 55 -7.951 0.647 -4.671 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.223 0.518 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.156 -0.557 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.538 2.078 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.368 0.992 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.632 0.927 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.883 0.746 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.714 2.231 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.517 0.660 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.507 -0.798 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.679 0.305 -3.369 1.00 0.00 H new ATOM 822 N GLY A 56 -10.283 3.041 -6.265 1.00 0.00 N ATOM 823 CA GLY A 56 -10.097 4.477 -6.349 1.00 0.00 C ATOM 824 C GLY A 56 -11.411 5.231 -6.393 1.00 0.00 C ATOM 825 O GLY A 56 -12.319 4.867 -7.141 1.00 0.00 O ATOM 0 H GLY A 56 -10.914 2.649 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.516 4.816 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.516 4.713 -7.241 1.00 0.00 H new ATOM 829 N TYR A 57 -11.515 6.283 -5.589 1.00 0.00 N ATOM 830 CA TYR A 57 -12.730 7.088 -5.536 1.00 0.00 C ATOM 831 C TYR A 57 -12.424 8.556 -5.812 1.00 0.00 C ATOM 832 O TYR A 57 -11.382 9.072 -5.406 1.00 0.00 O ATOM 833 CB TYR A 57 -13.403 6.943 -4.170 1.00 0.00 C ATOM 834 CG TYR A 57 -14.427 8.018 -3.883 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.634 8.057 -4.572 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.188 8.995 -2.925 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.573 9.037 -4.313 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.122 9.978 -2.659 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.312 9.995 -3.356 1.00 0.00 C ATOM 840 OH TYR A 57 -17.244 10.974 -3.095 1.00 0.00 O ATOM 0 H TYR A 57 -10.773 6.599 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.409 6.727 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.887 5.968 -4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.638 6.964 -3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.841 7.308 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.256 8.986 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.506 9.053 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.921 10.729 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.906 11.569 -2.394 1.00 0.00 H new ATOM 850 N VAL A 58 -13.340 9.226 -6.505 1.00 0.00 N ATOM 851 CA VAL A 58 -13.170 10.636 -6.834 1.00 0.00 C ATOM 852 C VAL A 58 -14.299 11.477 -6.249 1.00 0.00 C ATOM 853 O VAL A 58 -15.453 11.357 -6.660 1.00 0.00 O ATOM 854 CB VAL A 58 -13.120 10.854 -8.358 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.830 12.312 -8.680 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.079 9.943 -8.992 1.00 0.00 C ATOM 0 H VAL A 58 -14.207 8.814 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.222 10.951 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.095 10.601 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.798 12.447 -9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.615 12.941 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.869 12.595 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.057 10.110 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.098 10.163 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.335 8.903 -8.791 1.00 0.00 H new ATOM 866 N ILE A 59 -13.957 12.327 -5.287 1.00 0.00 N ATOM 867 CA ILE A 59 -14.942 13.190 -4.645 1.00 0.00 C ATOM 868 C ILE A 59 -15.500 14.213 -5.629 1.00 0.00 C ATOM 869 O ILE A 59 -16.673 14.580 -5.560 1.00 0.00 O ATOM 870 CB ILE A 59 -14.339 13.931 -3.437 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.891 12.931 -2.370 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.349 14.912 -2.861 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.738 13.426 -1.525 1.00 0.00 C ATOM 0 H ILE A 59 -13.006 12.437 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.749 12.545 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.466 14.492 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.736 12.703 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.601 11.999 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.909 15.428 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.624 15.641 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.238 14.371 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.473 12.666 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.878 13.627 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.030 14.342 -1.011 1.00 0.00 H new ATOM 885 N SER A 60 -14.651 14.669 -6.545 1.00 0.00 N ATOM 886 CA SER A 60 -15.059 15.652 -7.542 1.00 0.00 C ATOM 887 C SER A 60 -16.332 15.207 -8.255 1.00 0.00 C ATOM 888 O SER A 60 -17.318 15.941 -8.302 1.00 0.00 O ATOM 889 CB SER A 60 -13.939 15.868 -8.562 1.00 0.00 C ATOM 890 OG SER A 60 -13.803 14.746 -9.416 1.00 0.00 O ATOM 0 H SER A 60 -13.677 14.374 -6.617 1.00 0.00 H new ATOM 0 HA SER A 60 -15.261 16.592 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.150 16.757 -9.156 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.999 16.049 -8.041 1.00 0.00 H new ATOM 0 HG SER A 60 -13.082 14.910 -10.059 1.00 0.00 H new ATOM 896 N ASN A 61 -16.302 13.999 -8.808 1.00 0.00 N ATOM 897 CA ASN A 61 -17.454 13.455 -9.519 1.00 0.00 C ATOM 898 C ASN A 61 -18.029 12.250 -8.781 1.00 0.00 C ATOM 899 O ASN A 61 -18.793 11.470 -9.349 1.00 0.00 O ATOM 900 CB ASN A 61 -17.059 13.055 -10.942 1.00 0.00 C ATOM 901 CG ASN A 61 -16.122 11.863 -10.968 1.00 0.00 C ATOM 902 OD1 ASN A 61 -15.899 11.212 -9.947 1.00 0.00 O ATOM 903 ND2 ASN A 61 -15.570 11.570 -12.140 1.00 0.00 N ATOM 0 H ASN A 61 -15.493 13.378 -8.778 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.220 14.229 -9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -17.957 12.820 -11.513 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.580 13.901 -11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.933 10.778 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.784 12.137 -12.960 1.00 0.00 H new ATOM 910 N GLN A 62 -17.657 12.106 -7.513 1.00 0.00 N ATOM 911 CA GLN A 62 -18.136 10.996 -6.698 1.00 0.00 C ATOM 912 C GLN A 62 -18.178 9.704 -7.509 1.00 0.00 C ATOM 913 O GLN A 62 -19.186 8.999 -7.516 1.00 0.00 O ATOM 914 CB GLN A 62 -19.526 11.307 -6.141 1.00 0.00 C ATOM 915 CG GLN A 62 -19.522 12.377 -5.061 1.00 0.00 C ATOM 916 CD GLN A 62 -20.901 12.631 -4.486 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.887 12.032 -4.918 1.00 0.00 O ATOM 918 NE2 GLN A 62 -20.979 13.523 -3.505 1.00 0.00 N ATOM 0 H GLN A 62 -17.026 12.744 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.442 10.861 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.172 11.629 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.958 10.393 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.848 12.076 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.129 13.305 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.137 13.996 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.881 13.735 -3.079 1.00 0.00 H new ATOM 927 N GLN A 63 -17.077 9.402 -8.189 1.00 0.00 N ATOM 928 CA GLN A 63 -16.990 8.196 -9.003 1.00 0.00 C ATOM 929 C GLN A 63 -16.139 7.134 -8.314 1.00 0.00 C ATOM 930 O GLN A 63 -15.197 7.454 -7.589 1.00 0.00 O ATOM 931 CB GLN A 63 -16.402 8.523 -10.377 1.00 0.00 C ATOM 932 CG GLN A 63 -16.224 7.305 -11.269 1.00 0.00 C ATOM 933 CD GLN A 63 -17.435 6.394 -11.262 1.00 0.00 C ATOM 934 OE1 GLN A 63 -18.570 6.851 -11.124 1.00 0.00 O ATOM 935 NE2 GLN A 63 -17.200 5.096 -11.411 1.00 0.00 N ATOM 0 H GLN A 63 -16.233 9.975 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.998 7.802 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.052 9.239 -10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.436 9.009 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.027 7.633 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.350 6.743 -10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.243 4.760 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.976 4.434 -11.414 1.00 0.00 H new ATOM 944 N ILE A 64 -16.478 5.870 -8.545 1.00 0.00 N ATOM 945 CA ILE A 64 -15.745 4.761 -7.946 1.00 0.00 C ATOM 946 C ILE A 64 -15.349 3.732 -8.999 1.00 0.00 C ATOM 947 O ILE A 64 -16.205 3.128 -9.646 1.00 0.00 O ATOM 948 CB ILE A 64 -16.573 4.065 -6.850 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.868 5.039 -5.707 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.840 2.838 -6.331 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.843 4.496 -4.686 1.00 0.00 C ATOM 0 H ILE A 64 -17.255 5.588 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.846 5.183 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.521 3.742 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.934 5.292 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.268 5.964 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.438 2.357 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.677 2.138 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.879 3.138 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.005 5.240 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.791 4.269 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.437 3.587 -4.242 1.00 0.00 H new ATOM 963 N THR A 65 -14.045 3.535 -9.165 1.00 0.00 N ATOM 964 CA THR A 65 -13.534 2.578 -10.139 1.00 0.00 C ATOM 965 C THR A 65 -12.507 1.646 -9.507 1.00 0.00 C ATOM 966 O THR A 65 -11.339 1.996 -9.333 1.00 0.00 O ATOM 967 CB THR A 65 -12.891 3.291 -11.343 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.669 4.436 -11.708 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.777 2.349 -12.532 1.00 0.00 C ATOM 0 H THR A 65 -13.323 4.026 -8.637 1.00 0.00 H new ATOM 0 HA THR A 65 -14.386 1.994 -10.485 1.00 0.00 H new ATOM 0 HB THR A 65 -11.889 3.610 -11.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.252 4.884 -12.473 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.320 2.875 -13.370 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.159 1.493 -12.260 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.770 2.003 -12.819 1.00 0.00 H new ATOM 977 N PRO A 66 -12.949 0.429 -9.154 1.00 0.00 N ATOM 978 CA PRO A 66 -12.082 -0.579 -8.537 1.00 0.00 C ATOM 979 C PRO A 66 -11.048 -1.130 -9.512 1.00 0.00 C ATOM 980 O PRO A 66 -11.234 -1.074 -10.727 1.00 0.00 O ATOM 981 CB PRO A 66 -13.061 -1.679 -8.118 1.00 0.00 C ATOM 982 CG PRO A 66 -14.220 -1.527 -9.042 1.00 0.00 C ATOM 983 CD PRO A 66 -14.328 -0.055 -9.332 1.00 0.00 C ATOM 0 HA PRO A 66 -11.502 -0.167 -7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.609 -2.667 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.366 -1.562 -7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.065 -2.095 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.135 -1.903 -8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.692 0.130 -10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.019 0.440 -8.649 1.00 0.00 H new ATOM 991 N GLY A 67 -9.956 -1.663 -8.971 1.00 0.00 N ATOM 992 CA GLY A 67 -8.908 -2.216 -9.809 1.00 0.00 C ATOM 993 C GLY A 67 -8.843 -3.729 -9.732 1.00 0.00 C ATOM 994 O GLY A 67 -9.778 -4.389 -9.281 1.00 0.00 O ATOM 0 H GLY A 67 -9.779 -1.722 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.077 -1.915 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.947 -1.798 -9.508 1.00 0.00 H new ATOM 998 N PRO A 68 -7.716 -4.300 -10.182 1.00 0.00 N ATOM 999 CA PRO A 68 -7.506 -5.751 -10.174 1.00 0.00 C ATOM 1000 C PRO A 68 -7.339 -6.304 -8.764 1.00 0.00 C ATOM 1001 O PRO A 68 -7.657 -7.464 -8.500 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.213 -5.926 -10.974 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.494 -4.630 -10.821 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.560 -3.573 -10.733 1.00 0.00 C ATOM 0 HA PRO A 68 -8.357 -6.289 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.619 -6.756 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.422 -6.141 -12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.872 -4.632 -9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.833 -4.448 -11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.257 -2.750 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.783 -3.145 -11.710 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.838 -5.468 -7.860 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.632 -5.874 -6.475 1.00 0.00 C ATOM 1014 C ALA A 69 -7.906 -5.698 -5.656 1.00 0.00 C ATOM 1015 O ALA A 69 -7.851 -5.472 -4.447 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.490 -5.081 -5.857 1.00 0.00 C ATOM 0 H ALA A 69 -6.567 -4.506 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.370 -6.932 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.347 -5.394 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.575 -5.262 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.729 -4.018 -5.884 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.051 -5.802 -6.321 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.339 -5.650 -5.654 1.00 0.00 C ATOM 1024 C TYR A 70 -11.051 -6.994 -5.534 1.00 0.00 C ATOM 1025 O TYR A 70 -11.056 -7.793 -6.471 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.219 -4.660 -6.418 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.379 -4.129 -5.606 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.178 -3.588 -4.343 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.676 -4.168 -6.104 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.235 -3.103 -3.597 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.738 -3.684 -5.366 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.513 -3.152 -4.113 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.568 -2.669 -3.375 1.00 0.00 O ATOM 0 H TYR A 70 -9.114 -5.991 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.157 -5.264 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.605 -3.823 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.606 -5.147 -7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.178 -3.546 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.856 -4.584 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.061 -2.688 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.740 -3.722 -5.768 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.260 -2.443 -2.473 1.00 0.00 H new ATOM 1043 N SER A 71 -11.653 -7.235 -4.373 1.00 0.00 N ATOM 1044 CA SER A 71 -12.366 -8.483 -4.128 1.00 0.00 C ATOM 1045 C SER A 71 -13.775 -8.210 -3.610 1.00 0.00 C ATOM 1046 O SER A 71 -14.478 -9.123 -3.179 1.00 0.00 O ATOM 1047 CB SER A 71 -11.599 -9.344 -3.122 1.00 0.00 C ATOM 1048 OG SER A 71 -10.403 -9.848 -3.690 1.00 0.00 O ATOM 0 H SER A 71 -11.661 -6.583 -3.589 1.00 0.00 H new ATOM 0 HA SER A 71 -12.442 -9.021 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.364 -8.753 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.227 -10.172 -2.794 1.00 0.00 H new ATOM 0 HG SER A 71 -9.930 -10.393 -3.027 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.181 -6.945 -3.657 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.506 -6.550 -3.192 1.00 0.00 C ATOM 1056 C ASN A 72 -15.621 -6.707 -1.679 1.00 0.00 C ATOM 1057 O ASN A 72 -16.665 -7.108 -1.164 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.583 -7.387 -3.886 1.00 0.00 C ATOM 1059 CG ASN A 72 -17.913 -6.663 -3.970 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -18.064 -5.557 -3.452 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -18.886 -7.287 -4.624 1.00 0.00 N ATOM 0 H ASN A 72 -13.612 -6.177 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.653 -5.499 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.248 -7.644 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.716 -8.324 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.803 -6.850 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.716 -8.204 -5.038 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.542 -6.387 -0.973 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.521 -6.493 0.481 1.00 0.00 C ATOM 1070 C ARG A 73 -14.099 -5.171 1.116 1.00 0.00 C ATOM 1071 O ARG A 73 -14.507 -4.850 2.232 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.570 -7.608 0.919 1.00 0.00 C ATOM 1073 CG ARG A 73 -13.916 -8.968 0.336 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.244 -10.092 1.108 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.843 -10.255 0.729 1.00 0.00 N ATOM 1076 CZ ARG A 73 -10.915 -10.751 1.540 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.238 -11.131 2.768 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.661 -10.868 1.122 1.00 0.00 N ATOM 0 H ARG A 73 -13.671 -6.052 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.530 -6.733 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.554 -7.344 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.579 -7.675 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.997 -9.108 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.607 -9.007 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.309 -9.887 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.779 -11.025 0.929 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.562 -9.973 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.201 -11.043 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.524 -11.512 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.409 -10.577 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.949 -11.249 1.745 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.280 -4.409 0.397 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.803 -3.123 0.892 1.00 0.00 C ATOM 1094 C GLU A 74 -13.763 -2.002 0.507 1.00 0.00 C ATOM 1095 O GLU A 74 -14.411 -2.055 -0.539 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.407 -2.826 0.341 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.308 -3.654 0.987 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.160 -5.023 0.354 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -10.433 -5.148 -0.858 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -9.770 -5.969 1.069 1.00 0.00 O ATOM 0 H GLU A 74 -12.934 -4.660 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.753 -3.177 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.403 -3.008 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.186 -1.768 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.362 -3.118 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.523 -3.770 2.049 1.00 0.00 H new ATOM 1107 N THR A 75 -13.850 -0.986 1.360 1.00 0.00 N ATOM 1108 CA THR A 75 -14.731 0.148 1.111 1.00 0.00 C ATOM 1109 C THR A 75 -14.056 1.462 1.487 1.00 0.00 C ATOM 1110 O THR A 75 -13.554 1.615 2.601 1.00 0.00 O ATOM 1111 CB THR A 75 -16.050 0.018 1.897 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.755 -1.157 1.479 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.927 1.243 1.688 1.00 0.00 C ATOM 0 H THR A 75 -13.321 -0.926 2.230 1.00 0.00 H new ATOM 0 HA THR A 75 -14.951 0.148 0.043 1.00 0.00 H new ATOM 0 HB THR A 75 -15.810 -0.061 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.591 -1.234 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.852 1.129 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.399 2.132 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.159 1.348 0.628 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.049 2.407 0.553 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.438 3.709 0.789 1.00 0.00 C ATOM 1123 C ILE A 76 -14.305 4.566 1.705 1.00 0.00 C ATOM 1124 O ILE A 76 -15.469 4.250 1.949 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.200 4.466 -0.531 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.995 3.478 -1.681 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -12.000 5.392 -0.401 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.274 3.124 -2.408 1.00 0.00 C ATOM 0 H ILE A 76 -14.460 2.295 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.478 3.524 1.271 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.080 5.071 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.288 3.903 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.544 2.566 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.844 5.920 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.182 6.114 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.112 4.806 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.054 2.420 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.976 2.669 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.715 4.027 -2.829 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.730 5.653 2.207 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.449 6.556 3.097 1.00 0.00 C ATOM 1142 C TYR A 77 -14.247 8.009 2.678 1.00 0.00 C ATOM 1143 O TYR A 77 -13.315 8.348 1.948 1.00 0.00 O ATOM 1144 CB TYR A 77 -13.985 6.361 4.541 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.765 5.305 5.291 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.684 3.966 4.929 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.581 5.646 6.362 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.395 2.998 5.611 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.295 4.684 7.050 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.199 3.362 6.671 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.909 2.400 7.353 1.00 0.00 O ATOM 0 H TYR A 77 -12.768 5.930 2.013 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.511 6.321 3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.929 6.089 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.070 7.309 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.054 3.677 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.659 6.681 6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.322 1.962 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.925 4.966 7.880 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.425 2.822 8.072 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.142 8.890 3.150 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.084 10.322 2.839 1.00 0.00 C ATOM 1163 C PRO A 78 -13.902 11.013 3.510 1.00 0.00 C ATOM 1164 O PRO A 78 -13.734 12.226 3.396 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.404 10.859 3.396 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.779 9.902 4.474 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.278 8.557 4.025 1.00 0.00 C ATOM 0 HA PRO A 78 -14.951 10.503 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.286 11.869 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.171 10.904 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.329 10.189 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.859 9.886 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.968 7.942 4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.047 8.000 3.490 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.085 10.232 4.210 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.918 10.770 4.900 1.00 0.00 C ATOM 1177 C ASN A 79 -10.640 10.089 4.420 1.00 0.00 C ATOM 1178 O ASN A 79 -9.592 10.195 5.056 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.067 10.593 6.412 1.00 0.00 C ATOM 1180 CG ASN A 79 -13.180 11.447 6.988 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -13.023 12.655 7.163 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -14.312 10.820 7.286 1.00 0.00 N ATOM 0 H ASN A 79 -13.210 9.225 4.314 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.850 11.833 4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.265 9.545 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.126 10.850 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.096 11.342 7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.397 9.817 7.124 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.736 9.390 3.294 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.588 8.694 2.727 1.00 0.00 C ATOM 1191 C ALA A 80 -9.269 7.428 3.515 1.00 0.00 C ATOM 1192 O ALA A 80 -8.121 6.986 3.560 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.377 9.614 2.691 1.00 0.00 C ATOM 0 H ALA A 80 -11.597 9.291 2.756 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.839 8.403 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.527 9.080 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.601 10.487 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.133 9.935 3.704 1.00 0.00 H new ATOM 1199 N SER A 81 -10.292 6.850 4.136 1.00 0.00 N ATOM 1200 CA SER A 81 -10.120 5.637 4.927 1.00 0.00 C ATOM 1201 C SER A 81 -10.715 4.430 4.208 1.00 0.00 C ATOM 1202 O SER A 81 -11.737 4.539 3.528 1.00 0.00 O ATOM 1203 CB SER A 81 -10.775 5.801 6.300 1.00 0.00 C ATOM 1204 OG SER A 81 -10.399 7.027 6.901 1.00 0.00 O ATOM 0 H SER A 81 -11.249 7.202 4.107 1.00 0.00 H new ATOM 0 HA SER A 81 -9.051 5.468 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.859 5.761 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.486 4.972 6.946 1.00 0.00 H new ATOM 0 HG SER A 81 -11.200 7.499 7.210 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.068 3.280 4.362 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.532 2.051 3.727 1.00 0.00 C ATOM 1212 C LEU A 82 -10.891 1.000 4.773 1.00 0.00 C ATOM 1213 O LEU A 82 -10.071 0.650 5.623 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.458 1.504 2.785 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.894 0.367 1.859 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.431 0.922 0.550 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.735 -0.585 1.602 1.00 0.00 C ATOM 0 H LEU A 82 -9.221 3.173 4.921 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.427 2.284 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.089 2.325 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.619 1.155 3.387 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.693 -0.189 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.736 0.099 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.289 1.563 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.653 1.503 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.063 -1.388 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.915 -0.041 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.396 -1.009 2.547 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.119 0.499 4.704 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.586 -0.514 5.644 1.00 0.00 C ATOM 1231 C LEU A 83 -12.404 -1.915 5.069 1.00 0.00 C ATOM 1232 O LEU A 83 -13.118 -2.317 4.150 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.058 -0.279 5.988 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.767 -1.420 6.718 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.378 -1.436 8.188 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.276 -1.294 6.565 1.00 0.00 C ATOM 0 H LEU A 83 -12.810 0.778 4.007 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.990 -0.434 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.128 0.618 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.598 -0.075 5.064 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.454 -2.363 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.892 -2.255 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.301 -1.574 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.662 -0.490 8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.765 -2.114 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.606 -0.345 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.539 -1.333 5.508 1.00 0.00 H new ATOM 1248 N MET A 84 -11.445 -2.654 5.617 1.00 0.00 N ATOM 1249 CA MET A 84 -11.172 -4.012 5.161 1.00 0.00 C ATOM 1250 C MET A 84 -12.024 -5.023 5.921 1.00 0.00 C ATOM 1251 O MET A 84 -11.662 -5.455 7.016 1.00 0.00 O ATOM 1252 CB MET A 84 -9.689 -4.343 5.336 1.00 0.00 C ATOM 1253 CG MET A 84 -9.180 -5.390 4.359 1.00 0.00 C ATOM 1254 SD MET A 84 -7.430 -5.189 3.975 1.00 0.00 S ATOM 1255 CE MET A 84 -7.421 -3.536 3.285 1.00 0.00 C ATOM 0 H MET A 84 -10.844 -2.335 6.377 1.00 0.00 H new ATOM 0 HA MET A 84 -11.428 -4.071 4.103 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.105 -3.431 5.215 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.522 -4.696 6.354 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.344 -6.383 4.778 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.759 -5.333 3.437 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.860 -3.535 2.351 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.445 -3.216 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.953 -2.850 3.991 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.157 -5.395 5.334 1.00 0.00 N ATOM 1266 CA ARG A 85 -14.061 -6.354 5.958 1.00 0.00 C ATOM 1267 C ARG A 85 -13.584 -7.784 5.722 1.00 0.00 C ATOM 1268 O ARG A 85 -12.757 -8.036 4.846 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.479 -6.182 5.410 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.276 -5.096 6.115 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.444 -4.622 5.265 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.423 -5.682 5.039 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.412 -5.593 4.157 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -19.553 -4.499 3.422 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -20.263 -6.601 4.008 1.00 0.00 N ATOM 0 H ARG A 85 -13.471 -5.047 4.428 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.068 -6.163 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.423 -5.948 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.012 -7.129 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.648 -5.476 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.623 -4.253 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.930 -3.778 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.072 -4.262 4.306 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.343 -6.537 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.901 -3.723 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.314 -4.434 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.158 -7.445 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -21.022 -6.532 3.330 1.00 0.00 H new ATOM 1289 N ASN A 86 -14.110 -8.716 6.509 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.737 -10.121 6.387 1.00 0.00 C ATOM 1291 C ASN A 86 -12.236 -10.267 6.154 1.00 0.00 C ATOM 1292 O ASN A 86 -11.805 -10.940 5.218 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.509 -10.777 5.240 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.970 -10.999 5.579 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -16.474 -10.478 6.574 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.658 -11.777 4.751 1.00 0.00 N ATOM 0 H ASN A 86 -14.796 -8.524 7.239 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.992 -10.622 7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.436 -10.150 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.047 -11.733 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.645 -11.963 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.199 -12.188 3.938 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.445 -9.631 7.013 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.993 -9.691 6.902 1.00 0.00 C ATOM 1305 C VAL A 87 -9.489 -11.123 7.049 1.00 0.00 C ATOM 1306 O VAL A 87 -10.270 -12.048 7.272 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.312 -8.808 7.965 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.746 -7.358 7.812 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.624 -9.322 9.363 1.00 0.00 C ATOM 0 H VAL A 87 -11.786 -9.069 7.793 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.736 -9.318 5.911 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.233 -8.857 7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.255 -6.749 8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.468 -6.997 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.827 -7.287 7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.135 -8.687 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.702 -9.304 9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.259 -10.344 9.465 1.00 0.00 H new ATOM 1319 N THR A 88 -8.178 -11.299 6.921 1.00 0.00 N ATOM 1320 CA THR A 88 -7.569 -12.618 7.038 1.00 0.00 C ATOM 1321 C THR A 88 -6.101 -12.513 7.436 1.00 0.00 C ATOM 1322 O THR A 88 -5.397 -11.597 7.010 1.00 0.00 O ATOM 1323 CB THR A 88 -7.676 -13.405 5.719 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.127 -12.636 4.643 1.00 0.00 O ATOM 1325 CG2 THR A 88 -9.125 -13.753 5.412 1.00 0.00 C ATOM 0 H THR A 88 -7.517 -10.544 6.736 1.00 0.00 H new ATOM 0 HA THR A 88 -8.116 -13.150 7.816 1.00 0.00 H new ATOM 0 HB THR A 88 -7.112 -14.331 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.198 -13.144 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.175 -14.309 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.531 -14.363 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.708 -12.836 5.322 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.645 -13.455 8.254 1.00 0.00 N ATOM 1334 CA ARG A 89 -4.260 -13.468 8.710 1.00 0.00 C ATOM 1335 C ARG A 89 -3.307 -13.163 7.558 1.00 0.00 C ATOM 1336 O ARG A 89 -2.194 -12.682 7.771 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.916 -14.825 9.326 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.979 -15.977 8.337 1.00 0.00 C ATOM 1339 CD ARG A 89 -4.122 -17.314 9.047 1.00 0.00 C ATOM 1340 NE ARG A 89 -4.209 -18.427 8.105 1.00 0.00 N ATOM 1341 CZ ARG A 89 -4.299 -19.699 8.478 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -4.316 -20.017 9.765 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -4.374 -20.656 7.562 1.00 0.00 N ATOM 0 H ARG A 89 -6.215 -14.220 8.615 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.146 -12.694 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.914 -14.777 9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.603 -15.026 10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.821 -15.831 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.076 -15.983 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.270 -17.466 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.014 -17.298 9.673 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.200 -18.216 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.260 -19.284 10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.385 -20.995 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.363 -20.415 6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.443 -21.632 7.849 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.751 -13.447 6.338 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.936 -13.204 5.153 1.00 0.00 C ATOM 1359 C ASN A 90 -2.895 -11.717 4.817 1.00 0.00 C ATOM 1360 O ASN A 90 -1.831 -11.162 4.537 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.484 -13.993 3.962 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.860 -13.564 2.648 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -3.404 -12.721 1.935 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -1.711 -14.145 2.322 1.00 0.00 N ATOM 0 H ASN A 90 -4.670 -13.845 6.144 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.920 -13.538 5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.300 -15.056 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.565 -13.861 3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.244 -13.897 1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.296 -14.839 2.944 1.00 0.00 H new ATOM 1371 N ASP A 91 -4.058 -11.077 4.846 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.155 -9.653 4.546 1.00 0.00 C ATOM 1373 C ASP A 91 -2.973 -8.891 5.137 1.00 0.00 C ATOM 1374 O ASP A 91 -2.408 -8.004 4.496 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.467 -9.084 5.090 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.681 -9.640 4.371 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.578 -9.914 3.157 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.734 -9.801 5.023 1.00 0.00 O ATOM 0 H ASP A 91 -4.947 -11.521 5.074 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.137 -9.533 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.544 -9.309 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.457 -7.998 4.993 1.00 0.00 H new ATOM 1383 N THR A 92 -2.603 -9.242 6.365 1.00 0.00 N ATOM 1384 CA THR A 92 -1.489 -8.591 7.043 1.00 0.00 C ATOM 1385 C THR A 92 -0.330 -8.344 6.084 1.00 0.00 C ATOM 1386 O THR A 92 0.252 -9.283 5.544 1.00 0.00 O ATOM 1387 CB THR A 92 -0.987 -9.431 8.232 1.00 0.00 C ATOM 1388 OG1 THR A 92 -2.091 -9.828 9.053 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.014 -8.645 9.066 1.00 0.00 C ATOM 0 H THR A 92 -3.059 -9.974 6.910 1.00 0.00 H new ATOM 0 HA THR A 92 -1.860 -7.635 7.414 1.00 0.00 H new ATOM 0 HB THR A 92 -0.491 -10.318 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.344 -10.750 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.354 -9.259 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.867 -8.370 8.446 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.462 -7.743 9.450 1.00 0.00 H new ATOM 1397 N GLY A 93 0.000 -7.072 5.878 1.00 0.00 N ATOM 1398 CA GLY A 93 1.090 -6.725 4.984 1.00 0.00 C ATOM 1399 C GLY A 93 1.325 -5.229 4.911 1.00 0.00 C ATOM 1400 O GLY A 93 1.862 -4.632 5.844 1.00 0.00 O ATOM 0 H GLY A 93 -0.467 -6.277 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.003 -7.217 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.872 -7.105 3.986 1.00 0.00 H new ATOM 1404 N SER A 94 0.925 -4.622 3.798 1.00 0.00 N ATOM 1405 CA SER A 94 1.101 -3.188 3.604 1.00 0.00 C ATOM 1406 C SER A 94 0.092 -2.649 2.595 1.00 0.00 C ATOM 1407 O SER A 94 -0.321 -3.355 1.675 1.00 0.00 O ATOM 1408 CB SER A 94 2.524 -2.886 3.131 1.00 0.00 C ATOM 1409 OG SER A 94 3.483 -3.481 3.987 1.00 0.00 O ATOM 0 H SER A 94 0.477 -5.101 3.017 1.00 0.00 H new ATOM 0 HA SER A 94 0.932 -2.694 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.659 -3.257 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.679 -1.808 3.100 1.00 0.00 H new ATOM 0 HG SER A 94 4.384 -3.274 3.662 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.301 -1.392 2.774 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.264 -0.758 1.882 1.00 0.00 C ATOM 1417 C TYR A 95 -0.998 0.741 1.771 1.00 0.00 C ATOM 1418 O TYR A 95 -1.041 1.467 2.764 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.689 -0.999 2.380 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.033 -2.461 2.547 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.506 -3.205 3.595 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.888 -3.100 1.656 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.817 -4.542 3.751 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.206 -4.436 1.805 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.667 -5.153 2.854 1.00 0.00 C ATOM 1426 OH TYR A 95 -3.981 -6.484 3.006 1.00 0.00 O ATOM 0 H TYR A 95 0.033 -0.793 3.529 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.153 -1.203 0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.821 -0.492 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.391 -0.547 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.841 -2.730 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.311 -2.542 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.397 -5.105 4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.873 -4.917 1.105 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.236 -6.948 3.443 1.00 0.00 H new ATOM 1436 N THR A 96 -0.723 1.198 0.553 1.00 0.00 N ATOM 1437 CA THR A 96 -0.449 2.608 0.310 1.00 0.00 C ATOM 1438 C THR A 96 -1.719 3.355 -0.082 1.00 0.00 C ATOM 1439 O THR A 96 -2.498 2.884 -0.912 1.00 0.00 O ATOM 1440 CB THR A 96 0.604 2.793 -0.799 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.833 2.165 -0.417 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.848 4.270 -1.072 1.00 0.00 C ATOM 0 H THR A 96 -0.684 0.611 -0.280 1.00 0.00 H new ATOM 0 HA THR A 96 -0.061 3.020 1.242 1.00 0.00 H new ATOM 0 HB THR A 96 0.226 2.328 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.574 2.794 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.595 4.376 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.083 4.740 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.207 4.754 -0.163 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.923 4.522 0.520 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.100 5.335 0.233 1.00 0.00 C ATOM 1452 C LEU A 97 -2.697 6.721 -0.259 1.00 0.00 C ATOM 1453 O LEU A 97 -2.189 7.539 0.508 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.975 5.459 1.481 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.166 6.413 1.374 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.747 7.831 1.731 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.761 6.367 -0.026 1.00 0.00 C ATOM 0 H LEU A 97 -1.289 4.926 1.209 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.669 4.841 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.351 4.468 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.347 5.786 2.310 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.930 6.092 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.607 8.496 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.368 7.852 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.966 8.163 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.607 7.052 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.004 6.662 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.098 5.354 -0.245 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.928 6.979 -1.543 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.590 8.267 -2.136 1.00 0.00 C ATOM 1471 C GLN A 98 -3.826 9.153 -2.253 1.00 0.00 C ATOM 1472 O GLN A 98 -4.904 8.688 -2.623 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.958 8.068 -3.515 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.886 9.341 -4.341 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.864 9.256 -5.457 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -1.280 8.730 -6.603 1.00 0.00 O flip ATOM 1477 NE2 GLN A 98 0.288 9.658 -5.291 1.00 0.00 N flip ATOM 0 H GLN A 98 -3.348 6.313 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.871 8.762 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.952 7.669 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.531 7.321 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.867 9.549 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.638 10.179 -3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.565 10.055 -4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.965 9.594 -6.051 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.662 10.434 -1.936 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.764 11.386 -2.006 1.00 0.00 C ATOM 1488 C VAL A 99 -4.441 12.531 -2.960 1.00 0.00 C ATOM 1489 O VAL A 99 -3.457 13.247 -2.775 1.00 0.00 O ATOM 1490 CB VAL A 99 -5.094 11.966 -0.619 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.320 12.864 -0.693 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -5.304 10.847 0.390 1.00 0.00 C ATOM 0 H VAL A 99 -2.776 10.836 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.631 10.840 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.250 12.570 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.538 13.265 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.128 13.686 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.174 12.286 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.536 11.275 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.130 10.215 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.396 10.248 0.464 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.277 12.698 -3.980 1.00 0.00 N ATOM 1503 CA ILE A 100 -5.081 13.757 -4.962 1.00 0.00 C ATOM 1504 C ILE A 100 -5.759 15.049 -4.519 1.00 0.00 C ATOM 1505 O ILE A 100 -6.831 15.025 -3.915 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.626 13.351 -6.344 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.759 12.249 -6.955 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.684 14.560 -7.266 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.158 10.856 -6.521 1.00 0.00 C ATOM 0 H ILE A 100 -6.096 12.114 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 100 -4.006 13.922 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.637 12.964 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.817 12.313 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.718 12.422 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.071 14.257 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.340 15.316 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.683 14.974 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.501 10.126 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.073 10.774 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.188 10.663 -6.820 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.127 16.177 -4.825 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.669 17.481 -4.463 1.00 0.00 C ATOM 1523 C LYS A 101 -6.066 18.270 -5.706 1.00 0.00 C ATOM 1524 O LYS A 101 -5.435 18.150 -6.758 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.645 18.274 -3.648 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.194 17.564 -2.383 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.958 16.715 -2.630 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.681 17.509 -2.401 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.484 16.627 -2.328 1.00 0.00 N ATOM 0 H LYS A 101 -4.238 16.214 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.560 17.320 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.774 18.476 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.075 19.239 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.982 18.300 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.001 16.933 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.972 15.849 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.974 16.336 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.552 18.230 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.769 18.079 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.006 16.766 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.779 15.634 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.170 16.865 -3.101 1.00 0.00 H new ATOM 1543 N LEU A 102 -7.112 19.078 -5.580 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.592 19.889 -6.693 1.00 0.00 C ATOM 1545 C LEU A 102 -6.435 20.602 -7.386 1.00 0.00 C ATOM 1546 O LEU A 102 -6.551 21.020 -8.537 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.615 20.914 -6.200 1.00 0.00 C ATOM 1548 CG LEU A 102 -10.011 20.373 -5.889 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.897 20.440 -7.123 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.925 18.946 -5.367 1.00 0.00 C ATOM 0 H LEU A 102 -7.645 19.189 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.070 19.225 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.221 21.386 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.710 21.695 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.457 20.996 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.886 20.051 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.985 21.475 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.456 19.842 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.927 18.577 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.459 18.311 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.327 18.927 -4.456 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.318 20.733 -6.678 1.00 0.00 N ATOM 1563 CA ASN A 103 -4.139 21.393 -7.225 1.00 0.00 C ATOM 1564 C ASN A 103 -3.309 20.421 -8.059 1.00 0.00 C ATOM 1565 O ASN A 103 -2.082 20.515 -8.103 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.284 21.974 -6.097 1.00 0.00 C ATOM 1567 CG ASN A 103 -3.408 21.181 -4.811 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -4.463 21.169 -4.176 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -2.329 20.514 -4.420 1.00 0.00 N ATOM 0 H ASN A 103 -5.205 20.391 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.475 22.204 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.240 21.994 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.581 23.007 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.353 19.963 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.476 20.552 -4.978 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.987 19.488 -8.718 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.313 18.498 -9.552 1.00 0.00 C ATOM 1578 C LEU A 104 -2.123 17.888 -8.818 1.00 0.00 C ATOM 1579 O LEU A 104 -1.078 17.633 -9.415 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.847 19.137 -10.861 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.950 19.624 -11.801 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.350 20.272 -13.039 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.866 18.472 -12.190 1.00 0.00 C ATOM 0 H LEU A 104 -5.002 19.396 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.024 17.703 -9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.203 19.983 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.234 18.413 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.543 20.373 -11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.151 20.612 -13.696 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.737 21.123 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.732 19.546 -13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.645 18.837 -12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.285 17.700 -12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.324 18.053 -11.294 1.00 0.00 H new ATOM 1595 N MET A 105 -2.291 17.655 -7.521 1.00 0.00 N ATOM 1596 CA MET A 105 -1.231 17.071 -6.706 1.00 0.00 C ATOM 1597 C MET A 105 -1.642 15.698 -6.183 1.00 0.00 C ATOM 1598 O MET A 105 -2.745 15.224 -6.454 1.00 0.00 O ATOM 1599 CB MET A 105 -0.890 17.995 -5.536 1.00 0.00 C ATOM 1600 CG MET A 105 0.097 19.093 -5.896 1.00 0.00 C ATOM 1601 SD MET A 105 0.914 19.794 -4.450 1.00 0.00 S ATOM 1602 CE MET A 105 2.284 18.658 -4.251 1.00 0.00 C ATOM 0 H MET A 105 -3.150 17.861 -7.011 1.00 0.00 H new ATOM 0 HA MET A 105 -0.348 16.952 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.808 18.451 -5.164 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.477 17.399 -4.722 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.850 18.691 -6.575 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.426 19.885 -6.432 1.00 0.00 H new ATOM 0 HE1 MET A 105 2.834 18.906 -3.343 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.904 17.639 -4.178 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.950 18.736 -5.111 1.00 0.00 H new ATOM 1612 N SER A 106 -0.747 15.064 -5.432 1.00 0.00 N ATOM 1613 CA SER A 106 -1.015 13.744 -4.874 1.00 0.00 C ATOM 1614 C SER A 106 -0.179 13.504 -3.620 1.00 0.00 C ATOM 1615 O SER A 106 1.005 13.834 -3.579 1.00 0.00 O ATOM 1616 CB SER A 106 -0.721 12.659 -5.912 1.00 0.00 C ATOM 1617 OG SER A 106 -1.017 13.113 -7.221 1.00 0.00 O ATOM 0 H SER A 106 0.170 15.443 -5.196 1.00 0.00 H new ATOM 0 HA SER A 106 -2.069 13.699 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.328 12.369 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.311 11.769 -5.690 1.00 0.00 H new ATOM 0 HG SER A 106 -0.819 12.402 -7.866 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.807 12.928 -2.599 1.00 0.00 N ATOM 1624 CA GLU A 107 -0.121 12.644 -1.344 1.00 0.00 C ATOM 1625 C GLU A 107 0.226 11.162 -1.236 1.00 0.00 C ATOM 1626 O GLU A 107 -0.075 10.377 -2.135 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.991 13.063 -0.157 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.778 14.504 0.275 1.00 0.00 C ATOM 1629 CD GLU A 107 0.569 14.722 0.937 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.565 14.914 0.208 1.00 0.00 O ATOM 1631 OE2 GLU A 107 0.627 14.701 2.184 1.00 0.00 O ATOM 0 H GLU A 107 -1.788 12.649 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 107 0.806 13.218 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.040 12.922 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.782 12.405 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.861 15.156 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.569 14.793 0.967 1.00 0.00 H new ATOM 1638 N GLU A 108 0.862 10.788 -0.131 1.00 0.00 N ATOM 1639 CA GLU A 108 1.252 9.401 0.094 1.00 0.00 C ATOM 1640 C GLU A 108 1.283 9.079 1.585 1.00 0.00 C ATOM 1641 O GLU A 108 1.750 9.879 2.395 1.00 0.00 O ATOM 1642 CB GLU A 108 2.624 9.127 -0.527 1.00 0.00 C ATOM 1643 CG GLU A 108 2.592 9.001 -2.041 1.00 0.00 C ATOM 1644 CD GLU A 108 2.798 10.330 -2.741 1.00 0.00 C ATOM 1645 OE1 GLU A 108 3.702 11.085 -2.328 1.00 0.00 O ATOM 1646 OE2 GLU A 108 2.053 10.614 -3.703 1.00 0.00 O ATOM 0 H GLU A 108 1.118 11.426 0.623 1.00 0.00 H new ATOM 0 HA GLU A 108 0.510 8.760 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.305 9.932 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.029 8.208 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.366 8.303 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.635 8.578 -2.347 1.00 0.00 H new ATOM 1653 N VAL A 109 0.781 7.900 1.940 1.00 0.00 N ATOM 1654 CA VAL A 109 0.751 7.471 3.333 1.00 0.00 C ATOM 1655 C VAL A 109 0.720 5.950 3.439 1.00 0.00 C ATOM 1656 O VAL A 109 -0.227 5.304 2.990 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.470 8.050 4.073 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.758 7.668 3.360 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.490 7.577 5.518 1.00 0.00 C ATOM 0 H VAL A 109 0.390 7.226 1.282 1.00 0.00 H new ATOM 0 HA VAL A 109 1.662 7.847 3.799 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.392 9.137 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.609 8.086 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.742 8.062 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.847 6.582 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.359 7.995 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.544 6.489 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.418 7.907 6.022 1.00 0.00 H new ATOM 1669 N THR A 110 1.764 5.383 4.036 1.00 0.00 N ATOM 1670 CA THR A 110 1.857 3.938 4.201 1.00 0.00 C ATOM 1671 C THR A 110 1.137 3.480 5.464 1.00 0.00 C ATOM 1672 O THR A 110 1.676 3.575 6.566 1.00 0.00 O ATOM 1673 CB THR A 110 3.325 3.474 4.264 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.159 4.386 3.541 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.475 2.075 3.686 1.00 0.00 C ATOM 0 H THR A 110 2.557 5.903 4.413 1.00 0.00 H new ATOM 0 HA THR A 110 1.378 3.489 3.331 1.00 0.00 H new ATOM 0 HB THR A 110 3.632 3.453 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.090 4.085 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.520 1.769 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.862 1.378 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.151 2.075 2.645 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.084 2.983 5.296 1.00 0.00 N ATOM 1684 CA GLY A 111 -0.858 2.518 6.432 1.00 0.00 C ATOM 1685 C GLY A 111 -1.094 1.020 6.400 1.00 0.00 C ATOM 1686 O GLY A 111 -1.889 0.529 5.599 1.00 0.00 O ATOM 0 H GLY A 111 -0.551 2.894 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.339 2.781 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.818 3.034 6.449 1.00 0.00 H new ATOM 1690 N GLN A 112 -0.399 0.295 7.270 1.00 0.00 N ATOM 1691 CA GLN A 112 -0.536 -1.156 7.335 1.00 0.00 C ATOM 1692 C GLN A 112 -1.247 -1.579 8.616 1.00 0.00 C ATOM 1693 O GLN A 112 -1.707 -0.739 9.390 1.00 0.00 O ATOM 1694 CB GLN A 112 0.839 -1.822 7.257 1.00 0.00 C ATOM 1695 CG GLN A 112 1.763 -1.193 6.227 1.00 0.00 C ATOM 1696 CD GLN A 112 2.576 -0.046 6.794 1.00 0.00 C ATOM 1697 OE1 GLN A 112 2.139 1.105 6.783 1.00 0.00 O ATOM 1698 NE2 GLN A 112 3.766 -0.355 7.295 1.00 0.00 N ATOM 0 H GLN A 112 0.264 0.687 7.939 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.137 -1.478 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.314 -1.772 8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.709 -2.878 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.439 -1.955 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.171 -0.832 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.089 -1.323 7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.358 0.375 7.691 1.00 0.00 H new ATOM 1707 N PHE A 113 -1.335 -2.887 8.833 1.00 0.00 N ATOM 1708 CA PHE A 113 -1.993 -3.422 10.020 1.00 0.00 C ATOM 1709 C PHE A 113 -1.652 -4.897 10.212 1.00 0.00 C ATOM 1710 O PHE A 113 -0.851 -5.462 9.467 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.509 -3.247 9.912 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.118 -3.998 8.763 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -3.982 -3.534 7.465 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -4.829 -5.167 8.981 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -4.541 -4.223 6.405 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -5.390 -5.861 7.926 1.00 0.00 C ATOM 1717 CZ PHE A 113 -5.247 -5.387 6.636 1.00 0.00 C ATOM 0 H PHE A 113 -0.959 -3.596 8.203 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.632 -2.868 10.886 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.972 -3.581 10.840 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.738 -2.187 9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.433 -2.623 7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.946 -5.540 9.988 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -4.426 -3.851 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.939 -6.773 8.109 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.687 -5.926 5.810 1.00 0.00 H new ATOM 1727 N SER A 114 -2.265 -5.514 11.217 1.00 0.00 N ATOM 1728 CA SER A 114 -2.024 -6.921 11.511 1.00 0.00 C ATOM 1729 C SER A 114 -3.337 -7.656 11.766 1.00 0.00 C ATOM 1730 O SER A 114 -4.303 -7.072 12.259 1.00 0.00 O ATOM 1731 CB SER A 114 -1.105 -7.061 12.726 1.00 0.00 C ATOM 1732 OG SER A 114 0.110 -6.358 12.530 1.00 0.00 O ATOM 0 H SER A 114 -2.932 -5.061 11.841 1.00 0.00 H new ATOM 0 HA SER A 114 -1.539 -7.369 10.644 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.610 -6.680 13.614 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.894 -8.115 12.907 1.00 0.00 H new ATOM 0 HG SER A 114 0.679 -6.462 13.321 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.365 -8.940 11.425 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.558 -9.756 11.617 1.00 0.00 C ATOM 1740 C VAL A 115 -4.203 -11.120 12.199 1.00 0.00 C ATOM 1741 O VAL A 115 -3.423 -11.873 11.614 1.00 0.00 O ATOM 1742 CB VAL A 115 -5.319 -9.957 10.294 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.564 -10.803 10.516 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.681 -8.614 9.679 1.00 0.00 C ATOM 0 H VAL A 115 -2.575 -9.438 11.014 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.198 -9.221 12.318 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.668 -10.487 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -7.088 -10.934 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.276 -11.778 10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.221 -10.304 11.229 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.218 -8.775 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.313 -8.056 10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.771 -8.047 9.481 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.781 -11.433 13.354 1.00 0.00 N ATOM 1755 CA HIS A 116 -4.527 -12.708 14.015 1.00 0.00 C ATOM 1756 C HIS A 116 -5.821 -13.306 14.559 1.00 0.00 C ATOM 1757 O HIS A 116 -6.609 -12.637 15.228 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.519 -12.526 15.150 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.011 -11.637 16.251 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.555 -12.120 17.422 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.036 -10.288 16.355 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -4.895 -11.107 18.198 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -4.591 -9.984 17.573 1.00 0.00 N ATOM 0 H HIS A 116 -5.428 -10.821 13.852 1.00 0.00 H new ATOM 0 HA HIS A 116 -4.112 -13.395 13.277 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.272 -13.503 15.566 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.597 -12.110 14.743 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.685 -9.582 15.617 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.345 -11.184 19.177 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.744 -9.043 17.936 1.00 0.00 H new ATOM 1772 N PRO A 117 -6.048 -14.595 14.267 1.00 0.00 N ATOM 1773 CA PRO A 117 -7.246 -15.310 14.717 1.00 0.00 C ATOM 1774 C PRO A 117 -7.246 -15.551 16.222 1.00 0.00 C ATOM 1775 O PRO A 117 -6.454 -16.342 16.733 1.00 0.00 O ATOM 1776 CB PRO A 117 -7.169 -16.640 13.963 1.00 0.00 C ATOM 1777 CG PRO A 117 -5.719 -16.831 13.679 1.00 0.00 C ATOM 1778 CD PRO A 117 -5.152 -15.454 13.474 1.00 0.00 C ATOM 0 HA PRO A 117 -8.156 -14.744 14.520 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.566 -17.459 14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.752 -16.608 13.042 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.223 -17.338 14.507 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.573 -17.449 12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -4.121 -15.388 13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -5.152 -15.172 12.421 1.00 0.00 H new ATOM 1786 N GLU A 118 -8.139 -14.864 16.927 1.00 0.00 N ATOM 1787 CA GLU A 118 -8.241 -15.004 18.375 1.00 0.00 C ATOM 1788 C GLU A 118 -8.528 -16.451 18.763 1.00 0.00 C ATOM 1789 O GLU A 118 -9.665 -16.916 18.676 1.00 0.00 O ATOM 1790 CB GLU A 118 -9.340 -14.090 18.922 1.00 0.00 C ATOM 1791 CG GLU A 118 -9.023 -12.610 18.790 1.00 0.00 C ATOM 1792 CD GLU A 118 -10.266 -11.743 18.815 1.00 0.00 C ATOM 1793 OE1 GLU A 118 -11.233 -12.113 19.514 1.00 0.00 O ATOM 1794 OE2 GLU A 118 -10.273 -10.695 18.137 1.00 0.00 O ATOM 0 H GLU A 118 -8.802 -14.205 16.519 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.285 -14.712 18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.271 -14.302 18.397 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.506 -14.325 19.973 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.359 -12.311 19.601 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.484 -12.439 17.858 1.00 0.00 H new ATOM 1801 N THR A 119 -7.488 -17.161 19.190 1.00 0.00 N ATOM 1802 CA THR A 119 -7.626 -18.555 19.590 1.00 0.00 C ATOM 1803 C THR A 119 -7.032 -18.792 20.974 1.00 0.00 C ATOM 1804 O THR A 119 -5.941 -18.321 21.296 1.00 0.00 O ATOM 1805 CB THR A 119 -6.943 -19.499 18.582 1.00 0.00 C ATOM 1806 OG1 THR A 119 -5.822 -18.843 17.980 1.00 0.00 O ATOM 1807 CG2 THR A 119 -7.921 -19.936 17.502 1.00 0.00 C ATOM 0 H THR A 119 -6.540 -16.792 19.267 1.00 0.00 H new ATOM 0 HA THR A 119 -8.694 -18.772 19.614 1.00 0.00 H new ATOM 0 HB THR A 119 -6.601 -20.383 19.119 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.135 -18.077 17.454 1.00 0.00 H new ATOM 0 HG21 THR A 119 -7.416 -20.602 16.802 1.00 0.00 H new ATOM 0 HG22 THR A 119 -8.759 -20.460 17.961 1.00 0.00 H new ATOM 0 HG23 THR A 119 -8.289 -19.060 16.968 1.00 0.00 H new ATOM 1815 N PRO A 120 -7.764 -19.541 21.812 1.00 0.00 N ATOM 1816 CA PRO A 120 -7.328 -19.859 23.175 1.00 0.00 C ATOM 1817 C PRO A 120 -6.143 -20.819 23.196 1.00 0.00 C ATOM 1818 O PRO A 120 -6.112 -21.799 22.451 1.00 0.00 O ATOM 1819 CB PRO A 120 -8.561 -20.517 23.798 1.00 0.00 C ATOM 1820 CG PRO A 120 -9.316 -21.076 22.642 1.00 0.00 C ATOM 1821 CD PRO A 120 -9.073 -20.135 21.494 1.00 0.00 C ATOM 0 HA PRO A 120 -6.985 -18.973 23.710 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -8.279 -21.300 24.502 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -9.160 -19.793 24.349 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -8.972 -22.082 22.401 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -10.380 -21.148 22.869 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -9.054 -20.661 20.540 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -9.852 -19.376 21.424 1.00 0.00 H new ATOM 1829 N LYS A 121 -5.170 -20.532 24.053 1.00 0.00 N ATOM 1830 CA LYS A 121 -3.983 -21.370 24.173 1.00 0.00 C ATOM 1831 C LYS A 121 -3.384 -21.268 25.572 1.00 0.00 C ATOM 1832 O LYS A 121 -3.008 -20.191 26.035 1.00 0.00 O ATOM 1833 CB LYS A 121 -2.940 -20.966 23.129 1.00 0.00 C ATOM 1834 CG LYS A 121 -1.999 -22.093 22.741 1.00 0.00 C ATOM 1835 CD LYS A 121 -1.329 -21.825 21.404 1.00 0.00 C ATOM 1836 CE LYS A 121 -0.249 -20.761 21.524 1.00 0.00 C ATOM 1837 NZ LYS A 121 0.405 -20.484 20.215 1.00 0.00 N ATOM 0 H LYS A 121 -5.180 -19.724 24.676 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.280 -22.404 23.999 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.452 -20.608 22.236 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.354 -20.132 23.517 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.238 -22.215 23.512 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.554 -23.030 22.690 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.891 -22.748 21.024 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.077 -21.505 20.679 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.687 -19.842 21.913 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.502 -21.086 22.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.135 -19.754 20.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.845 -21.355 19.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.307 -20.150 19.535 1.00 0.00 H new ATOM 1851 N PRO A 122 -3.289 -22.415 26.262 1.00 0.00 N ATOM 1852 CA PRO A 122 -2.734 -22.480 27.617 1.00 0.00 C ATOM 1853 C PRO A 122 -1.230 -22.228 27.639 1.00 0.00 C ATOM 1854 O PRO A 122 -0.689 -21.732 28.627 1.00 0.00 O ATOM 1855 CB PRO A 122 -3.043 -23.913 28.058 1.00 0.00 C ATOM 1856 CG PRO A 122 -3.148 -24.686 26.789 1.00 0.00 C ATOM 1857 CD PRO A 122 -3.717 -23.736 25.772 1.00 0.00 C ATOM 0 HA PRO A 122 -3.160 -21.718 28.270 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -2.255 -24.309 28.698 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -3.971 -23.960 28.628 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -2.172 -25.055 26.475 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.793 -25.556 26.914 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.331 -23.938 24.773 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -4.803 -23.811 25.715 1.00 0.00 H new ATOM 1865 N SER A 123 -0.560 -22.574 26.544 1.00 0.00 N ATOM 1866 CA SER A 123 0.883 -22.388 26.440 1.00 0.00 C ATOM 1867 C SER A 123 1.225 -21.407 25.323 1.00 0.00 C ATOM 1868 O SER A 123 0.337 -20.817 24.707 1.00 0.00 O ATOM 1869 CB SER A 123 1.574 -23.729 26.187 1.00 0.00 C ATOM 1870 OG SER A 123 1.192 -24.270 24.934 1.00 0.00 O ATOM 0 H SER A 123 -0.993 -22.984 25.717 1.00 0.00 H new ATOM 0 HA SER A 123 1.241 -21.976 27.383 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.655 -23.596 26.215 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.319 -24.429 26.982 1.00 0.00 H new ATOM 0 HG SER A 123 1.648 -25.126 24.795 1.00 0.00 H new ATOM 1876 N ILE A 124 2.518 -21.238 25.068 1.00 0.00 N ATOM 1877 CA ILE A 124 2.978 -20.330 24.025 1.00 0.00 C ATOM 1878 C ILE A 124 4.061 -20.979 23.170 1.00 0.00 C ATOM 1879 O ILE A 124 5.117 -21.364 23.674 1.00 0.00 O ATOM 1880 CB ILE A 124 3.527 -19.020 24.621 1.00 0.00 C ATOM 1881 CG1 ILE A 124 2.440 -18.308 25.429 1.00 0.00 C ATOM 1882 CG2 ILE A 124 4.052 -18.115 23.517 1.00 0.00 C ATOM 1883 CD1 ILE A 124 2.986 -17.318 26.435 1.00 0.00 C ATOM 0 H ILE A 124 3.265 -21.718 25.569 1.00 0.00 H new ATOM 0 HA ILE A 124 2.114 -20.102 23.401 1.00 0.00 H new ATOM 0 HB ILE A 124 4.353 -19.260 25.290 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.772 -17.786 24.744 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.841 -19.053 25.953 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.436 -17.193 23.954 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.853 -18.623 22.980 1.00 0.00 H new ATOM 0 HG23 ILE A 124 3.244 -17.879 22.825 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.160 -16.851 26.971 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.631 -17.838 27.144 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.561 -16.551 25.916 1.00 0.00 H new ATOM 1895 N SER A 125 3.793 -21.095 21.874 1.00 0.00 N ATOM 1896 CA SER A 125 4.744 -21.700 20.948 1.00 0.00 C ATOM 1897 C SER A 125 5.733 -20.660 20.429 1.00 0.00 C ATOM 1898 O SER A 125 6.943 -20.883 20.431 1.00 0.00 O ATOM 1899 CB SER A 125 4.005 -22.347 19.774 1.00 0.00 C ATOM 1900 OG SER A 125 4.874 -23.171 19.017 1.00 0.00 O ATOM 0 H SER A 125 2.926 -20.778 21.441 1.00 0.00 H new ATOM 0 HA SER A 125 5.299 -22.468 21.487 1.00 0.00 H new ATOM 0 HB2 SER A 125 3.170 -22.940 20.148 1.00 0.00 H new ATOM 0 HB3 SER A 125 3.584 -21.572 19.134 1.00 0.00 H new ATOM 0 HG SER A 125 4.378 -23.574 18.274 1.00 0.00 H new ATOM 1906 N GLY A 126 5.208 -19.522 19.985 1.00 0.00 N ATOM 1907 CA GLY A 126 6.057 -18.464 19.470 1.00 0.00 C ATOM 1908 C GLY A 126 5.898 -18.270 17.975 1.00 0.00 C ATOM 1909 O GLY A 126 5.613 -19.210 17.232 1.00 0.00 O ATOM 0 H GLY A 126 4.209 -19.314 19.973 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.821 -17.531 19.982 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.098 -18.696 19.695 1.00 0.00 H new ATOM 1913 N PRO A 127 6.084 -17.025 17.513 1.00 0.00 N ATOM 1914 CA PRO A 127 5.964 -16.681 16.093 1.00 0.00 C ATOM 1915 C PRO A 127 7.098 -17.265 15.257 1.00 0.00 C ATOM 1916 O PRO A 127 7.107 -17.139 14.033 1.00 0.00 O ATOM 1917 CB PRO A 127 6.032 -15.151 16.091 1.00 0.00 C ATOM 1918 CG PRO A 127 6.786 -14.804 17.328 1.00 0.00 C ATOM 1919 CD PRO A 127 6.427 -15.856 18.341 1.00 0.00 C ATOM 0 HA PRO A 127 5.051 -17.081 15.653 1.00 0.00 H new ATOM 0 HB2 PRO A 127 6.539 -14.778 15.201 1.00 0.00 H new ATOM 0 HB3 PRO A 127 5.035 -14.710 16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 127 7.860 -14.793 17.140 1.00 0.00 H new ATOM 0 HG3 PRO A 127 6.515 -13.810 17.685 1.00 0.00 H new ATOM 0 HD2 PRO A 127 7.260 -16.069 19.011 1.00 0.00 H new ATOM 0 HD3 PRO A 127 5.588 -15.545 18.964 1.00 0.00 H new ATOM 1927 N SER A 128 8.051 -17.904 15.926 1.00 0.00 N ATOM 1928 CA SER A 128 9.192 -18.505 15.245 1.00 0.00 C ATOM 1929 C SER A 128 8.767 -19.125 13.917 1.00 0.00 C ATOM 1930 O SER A 128 8.128 -20.177 13.886 1.00 0.00 O ATOM 1931 CB SER A 128 9.841 -19.569 16.132 1.00 0.00 C ATOM 1932 OG SER A 128 11.224 -19.694 15.850 1.00 0.00 O ATOM 0 H SER A 128 8.056 -18.019 16.939 1.00 0.00 H new ATOM 0 HA SER A 128 9.919 -17.718 15.044 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.703 -19.306 17.181 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.347 -20.528 15.976 1.00 0.00 H new ATOM 0 HG SER A 128 11.616 -20.379 16.431 1.00 0.00 H new ATOM 1938 N SER A 129 9.125 -18.464 12.821 1.00 0.00 N ATOM 1939 CA SER A 129 8.778 -18.946 11.489 1.00 0.00 C ATOM 1940 C SER A 129 9.968 -18.828 10.542 1.00 0.00 C ATOM 1941 O SER A 129 10.619 -17.787 10.471 1.00 0.00 O ATOM 1942 CB SER A 129 7.589 -18.161 10.933 1.00 0.00 C ATOM 1943 OG SER A 129 6.361 -18.703 11.389 1.00 0.00 O ATOM 0 H SER A 129 9.655 -17.593 12.829 1.00 0.00 H new ATOM 0 HA SER A 129 8.503 -19.998 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 129 7.664 -17.117 11.237 1.00 0.00 H new ATOM 0 HB3 SER A 129 7.615 -18.178 9.843 1.00 0.00 H new ATOM 0 HG SER A 129 6.190 -18.400 12.305 1.00 0.00 H new ATOM 1949 N GLY A 130 10.246 -19.906 9.814 1.00 0.00 N ATOM 1950 CA GLY A 130 11.356 -19.904 8.880 1.00 0.00 C ATOM 1951 C GLY A 130 11.808 -21.303 8.513 1.00 0.00 C ATOM 1952 O GLY A 130 12.653 -21.480 7.635 1.00 0.00 O ATOM 0 H GLY A 130 9.722 -20.780 9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 130 11.064 -19.371 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 130 12.193 -19.358 9.316 1.00 0.00 H new TER 1956 GLY A 130