USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot 180:sc=-0.00525 USER MOD Set 1.2: A 54 ASN : amide:sc= -3.4! K(o=-3.4!,f=-1.3) USER MOD Set 2.1: A 18 SER OG : rot 12:sc= 0.886! USER MOD Set 2.2: A 32 HIS : no HD1:sc= -8.39! C(o=-7.5!,f=-7.8!) USER MOD Set 3.1: A 10 GLN : amide:sc= -10.1! C(o=-12!,f=-8.4!) USER MOD Set 3.2: A 14 GLN : amide:sc= -1.46 K(o=-12,f=-8.4) USER MOD Set 4.1: A 8 TYR OH : rot 104:sc= -2.96! USER MOD Set 4.2: A 40 TYR OH : rot -37:sc= -1.37! USER MOD Set 5.1: A 6 TYR OH : rot 121:sc= -0.231! USER MOD Set 5.2: A 37 TYR OH : rot 36:sc= 1.31 USER MOD Single : A 1 GLU N :NH3+ -179:sc= 0 (180deg=-0.00155) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 67:sc= -0.185 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 23 GLN : amide:sc= -1.96! C(o=-2!,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -79:sc= 0.114 USER MOD Single : A 34 THR OG1 : rot -68:sc= -1.37 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc=-0.00237 X(o=-0.0024,f=-0.074) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.311 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.49 X(o=-3.5,f=-3.2!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.34) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -8.13! C(o=-8.1!,f=-11!) USER MOD Single : A 60 TYR OH : rot 180:sc= -5.02! USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0.736 (180deg=-0.341!) USER MOD Single : A 67 SER OG : rot -7:sc= 1.07 USER MOD Single : A 68 GLN : amide:sc=-0.000255 K(o=-0.00025,f=-0.62) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.328 USER MOD Single : A 83 SER OG : rot -170:sc= -2.83! USER MOD Single : A 86 LYS NZ :NH3+ -123:sc= 0.0258 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.125 K(o=-0.12,f=-2.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.797 7.396 -9.766 1.00 0.00 N ATOM 2 CA GLU A 1 21.078 8.518 -8.825 1.00 0.00 C ATOM 3 C GLU A 1 19.803 8.871 -8.057 1.00 0.00 C ATOM 4 O GLU A 1 19.816 9.023 -6.852 1.00 0.00 O ATOM 5 CB GLU A 1 21.547 9.740 -9.617 1.00 0.00 C ATOM 6 CG GLU A 1 22.274 10.709 -8.682 1.00 0.00 C ATOM 7 CD GLU A 1 23.785 10.508 -8.814 1.00 0.00 C ATOM 8 OE1 GLU A 1 24.281 9.534 -8.275 1.00 0.00 O ATOM 9 OE2 GLU A 1 24.419 11.332 -9.453 1.00 0.00 O ATOM 0 H1 GLU A 1 21.668 7.144 -10.276 1.00 0.00 H new ATOM 0 H2 GLU A 1 20.458 6.571 -9.231 1.00 0.00 H new ATOM 0 H3 GLU A 1 20.069 7.689 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 1 21.855 8.217 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 1 22.211 9.430 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.694 10.236 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 1 22.010 11.737 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 1 21.962 10.539 -7.651 1.00 0.00 H new ATOM 18 N SER A 2 18.702 9.001 -8.745 1.00 0.00 N ATOM 19 CA SER A 2 17.429 9.345 -8.051 1.00 0.00 C ATOM 20 C SER A 2 16.528 8.111 -7.996 1.00 0.00 C ATOM 21 O SER A 2 16.937 7.015 -8.324 1.00 0.00 O ATOM 22 CB SER A 2 16.716 10.459 -8.816 1.00 0.00 C ATOM 23 OG SER A 2 17.671 11.416 -9.251 1.00 0.00 O ATOM 0 H SER A 2 18.629 8.884 -9.756 1.00 0.00 H new ATOM 0 HA SER A 2 17.649 9.681 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.184 10.045 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.972 10.935 -8.178 1.00 0.00 H new ATOM 0 HG SER A 2 17.217 12.131 -9.744 1.00 0.00 H new ATOM 29 N LYS A 3 15.302 8.280 -7.580 1.00 0.00 N ATOM 30 CA LYS A 3 14.375 7.126 -7.496 1.00 0.00 C ATOM 31 C LYS A 3 13.053 7.472 -8.176 1.00 0.00 C ATOM 32 O LYS A 3 12.025 7.441 -7.538 1.00 0.00 O ATOM 33 CB LYS A 3 14.092 6.826 -6.028 1.00 0.00 C ATOM 34 CG LYS A 3 13.642 8.111 -5.326 1.00 0.00 C ATOM 35 CD LYS A 3 12.247 7.913 -4.728 1.00 0.00 C ATOM 36 CE LYS A 3 11.295 8.978 -5.277 1.00 0.00 C ATOM 37 NZ LYS A 3 11.587 10.289 -4.628 1.00 0.00 N ATOM 0 H LYS A 3 14.905 9.175 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 3 14.829 6.265 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.319 6.062 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.986 6.429 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.350 8.375 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.630 8.939 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.874 6.918 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.294 7.979 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.410 9.062 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.261 8.689 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.940 11.013 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.456 10.204 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.569 10.565 -4.830 1.00 0.00 H new ATOM 51 N PRO A 4 13.114 7.790 -9.445 1.00 0.00 N ATOM 52 CA PRO A 4 11.918 8.148 -10.232 1.00 0.00 C ATOM 53 C PRO A 4 11.141 6.884 -10.628 1.00 0.00 C ATOM 54 O PRO A 4 11.583 6.133 -11.474 1.00 0.00 O ATOM 55 CB PRO A 4 12.500 8.835 -11.470 1.00 0.00 C ATOM 56 CG PRO A 4 13.957 8.333 -11.603 1.00 0.00 C ATOM 57 CD PRO A 4 14.377 7.823 -10.212 1.00 0.00 C ATOM 0 HA PRO A 4 11.217 8.780 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.921 8.587 -12.360 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.471 9.919 -11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.026 7.537 -12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.614 9.136 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.834 6.835 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.108 8.485 -9.748 1.00 0.00 H new ATOM 65 N PRO A 5 10.008 6.684 -9.998 1.00 0.00 N ATOM 66 CA PRO A 5 9.151 5.517 -10.254 1.00 0.00 C ATOM 67 C PRO A 5 8.197 5.814 -11.407 1.00 0.00 C ATOM 68 O PRO A 5 8.236 6.874 -12.001 1.00 0.00 O ATOM 69 CB PRO A 5 8.358 5.374 -8.954 1.00 0.00 C ATOM 70 CG PRO A 5 8.364 6.771 -8.282 1.00 0.00 C ATOM 71 CD PRO A 5 9.473 7.593 -8.967 1.00 0.00 C ATOM 0 HA PRO A 5 9.712 4.622 -10.522 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.339 5.044 -9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.812 4.628 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.396 7.258 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.553 6.684 -7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.077 8.508 -9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.245 7.890 -8.258 1.00 0.00 H new ATOM 79 N TYR A 6 7.319 4.902 -11.712 1.00 0.00 N ATOM 80 CA TYR A 6 6.346 5.161 -12.805 1.00 0.00 C ATOM 81 C TYR A 6 5.199 6.000 -12.232 1.00 0.00 C ATOM 82 O TYR A 6 5.197 6.336 -11.064 1.00 0.00 O ATOM 83 CB TYR A 6 5.794 3.840 -13.353 1.00 0.00 C ATOM 84 CG TYR A 6 6.731 2.691 -13.043 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.824 2.427 -13.878 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.491 1.877 -11.930 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.673 1.348 -13.597 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.341 0.803 -11.647 1.00 0.00 C ATOM 89 CZ TYR A 6 8.431 0.537 -12.483 1.00 0.00 C ATOM 90 OH TYR A 6 9.262 -0.529 -12.215 1.00 0.00 O ATOM 0 H TYR A 6 7.233 3.994 -11.255 1.00 0.00 H new ATOM 0 HA TYR A 6 6.838 5.691 -13.621 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.814 3.643 -12.918 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.654 3.919 -14.431 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.012 3.054 -14.737 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.647 2.079 -11.288 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.515 1.142 -14.241 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.156 0.180 -10.784 1.00 0.00 H new ATOM 0 HH TYR A 6 9.661 -0.417 -11.327 1.00 0.00 H new ATOM 100 N SER A 7 4.226 6.346 -13.028 1.00 0.00 N ATOM 101 CA SER A 7 3.096 7.164 -12.497 1.00 0.00 C ATOM 102 C SER A 7 2.580 6.522 -11.208 1.00 0.00 C ATOM 103 O SER A 7 2.568 5.315 -11.073 1.00 0.00 O ATOM 104 CB SER A 7 1.971 7.215 -13.532 1.00 0.00 C ATOM 105 OG SER A 7 2.416 7.940 -14.671 1.00 0.00 O ATOM 0 H SER A 7 4.162 6.101 -14.016 1.00 0.00 H new ATOM 0 HA SER A 7 3.439 8.178 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.680 6.205 -13.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.089 7.692 -13.105 1.00 0.00 H new ATOM 0 HG SER A 7 1.699 7.974 -15.338 1.00 0.00 H new ATOM 111 N TYR A 8 2.162 7.310 -10.251 1.00 0.00 N ATOM 112 CA TYR A 8 1.663 6.708 -8.979 1.00 0.00 C ATOM 113 C TYR A 8 0.429 5.862 -9.270 1.00 0.00 C ATOM 114 O TYR A 8 -0.699 6.281 -9.104 1.00 0.00 O ATOM 115 CB TYR A 8 1.341 7.786 -7.942 1.00 0.00 C ATOM 116 CG TYR A 8 2.457 7.791 -6.931 1.00 0.00 C ATOM 117 CD1 TYR A 8 2.482 6.831 -5.912 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.485 8.734 -7.029 1.00 0.00 C ATOM 119 CE1 TYR A 8 3.532 6.818 -4.987 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.537 8.718 -6.107 1.00 0.00 C ATOM 121 CZ TYR A 8 4.560 7.763 -5.088 1.00 0.00 C ATOM 122 OH TYR A 8 5.598 7.753 -4.183 1.00 0.00 O ATOM 0 H TYR A 8 2.144 8.329 -10.293 1.00 0.00 H new ATOM 0 HA TYR A 8 2.447 6.076 -8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.252 8.762 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.386 7.579 -7.458 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.690 6.100 -5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.467 9.474 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.549 6.081 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.332 9.445 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 8 6.396 7.370 -4.604 1.00 0.00 H new ATOM 132 N ALA A 9 0.666 4.667 -9.714 1.00 0.00 N ATOM 133 CA ALA A 9 -0.430 3.724 -10.047 1.00 0.00 C ATOM 134 C ALA A 9 0.229 2.444 -10.548 1.00 0.00 C ATOM 135 O ALA A 9 -0.223 1.345 -10.297 1.00 0.00 O ATOM 136 CB ALA A 9 -1.311 4.320 -11.142 1.00 0.00 C ATOM 0 H ALA A 9 1.603 4.292 -9.865 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.058 3.527 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.114 3.623 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.739 5.260 -10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.710 4.503 -12.033 1.00 0.00 H new ATOM 142 N GLN A 10 1.324 2.600 -11.240 1.00 0.00 N ATOM 143 CA GLN A 10 2.075 1.433 -11.760 1.00 0.00 C ATOM 144 C GLN A 10 2.625 0.635 -10.580 1.00 0.00 C ATOM 145 O GLN A 10 2.524 -0.576 -10.546 1.00 0.00 O ATOM 146 CB GLN A 10 3.229 1.945 -12.613 1.00 0.00 C ATOM 147 CG GLN A 10 3.131 1.366 -14.021 1.00 0.00 C ATOM 148 CD GLN A 10 4.489 0.785 -14.420 1.00 0.00 C ATOM 149 OE1 GLN A 10 5.031 1.132 -15.451 1.00 0.00 O ATOM 150 NE2 GLN A 10 5.068 -0.085 -13.641 1.00 0.00 N ATOM 0 H GLN A 10 1.734 3.506 -11.469 1.00 0.00 H new ATOM 0 HA GLN A 10 1.426 0.794 -12.359 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.206 3.034 -12.656 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.180 1.664 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.366 0.591 -14.056 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.832 2.141 -14.726 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.614 -0.377 -12.776 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.975 -0.474 -13.897 1.00 0.00 H new ATOM 159 N LEU A 11 3.181 1.291 -9.588 1.00 0.00 N ATOM 160 CA LEU A 11 3.684 0.511 -8.420 1.00 0.00 C ATOM 161 C LEU A 11 2.491 -0.217 -7.867 1.00 0.00 C ATOM 162 O LEU A 11 2.627 -1.184 -7.160 1.00 0.00 O ATOM 163 CB LEU A 11 4.263 1.368 -7.271 1.00 0.00 C ATOM 164 CG LEU A 11 4.727 2.737 -7.733 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.399 2.631 -9.093 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.520 3.658 -7.803 1.00 0.00 C ATOM 0 H LEU A 11 3.305 2.302 -9.538 1.00 0.00 H new ATOM 0 HA LEU A 11 4.496 -0.125 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.505 1.489 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.101 0.840 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 11 5.455 3.142 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.728 3.619 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.261 1.967 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.691 2.230 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.836 4.647 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.794 3.254 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.063 3.734 -6.816 1.00 0.00 H new ATOM 178 N ILE A 12 1.312 0.262 -8.165 1.00 0.00 N ATOM 179 CA ILE A 12 0.109 -0.404 -7.631 1.00 0.00 C ATOM 180 C ILE A 12 -0.372 -1.454 -8.631 1.00 0.00 C ATOM 181 O ILE A 12 -0.453 -2.628 -8.327 1.00 0.00 O ATOM 182 CB ILE A 12 -1.016 0.602 -7.381 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.491 1.978 -6.906 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.949 0.031 -6.314 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.862 1.874 -6.193 1.00 0.00 C ATOM 0 H ILE A 12 1.140 1.079 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 12 0.370 -0.873 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.537 0.761 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.396 2.643 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.220 2.429 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.758 0.736 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.366 -0.914 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.390 -0.137 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.186 2.867 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.764 1.232 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.600 1.450 -6.873 1.00 0.00 H new ATOM 197 N VAL A 13 -0.695 -1.040 -9.828 1.00 0.00 N ATOM 198 CA VAL A 13 -1.171 -2.014 -10.846 1.00 0.00 C ATOM 199 C VAL A 13 -0.190 -3.180 -10.898 1.00 0.00 C ATOM 200 O VAL A 13 -0.555 -4.314 -10.677 1.00 0.00 O ATOM 201 CB VAL A 13 -1.218 -1.339 -12.218 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.717 -2.343 -13.258 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.164 -0.140 -12.165 1.00 0.00 C ATOM 0 H VAL A 13 -0.649 -0.071 -10.142 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.168 -2.368 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.220 -0.997 -12.492 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.752 -1.866 -14.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.040 -3.196 -13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.716 -2.684 -12.985 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.197 0.341 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.164 -0.477 -11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.806 0.573 -11.422 1.00 0.00 H new ATOM 213 N GLN A 14 1.056 -2.916 -11.165 1.00 0.00 N ATOM 214 CA GLN A 14 2.043 -4.024 -11.198 1.00 0.00 C ATOM 215 C GLN A 14 2.086 -4.668 -9.812 1.00 0.00 C ATOM 216 O GLN A 14 2.395 -5.833 -9.662 1.00 0.00 O ATOM 217 CB GLN A 14 3.425 -3.476 -11.555 1.00 0.00 C ATOM 218 CG GLN A 14 4.268 -4.586 -12.185 1.00 0.00 C ATOM 219 CD GLN A 14 5.683 -4.067 -12.446 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.614 -4.838 -12.557 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.884 -2.782 -12.551 1.00 0.00 N ATOM 0 H GLN A 14 1.431 -1.988 -11.360 1.00 0.00 H new ATOM 0 HA GLN A 14 1.755 -4.761 -11.948 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.328 -2.640 -12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.918 -3.093 -10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.303 -5.451 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.813 -4.917 -13.118 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.102 -2.134 -12.458 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.823 -2.425 -12.726 1.00 0.00 H new ATOM 230 N ALA A 15 1.770 -3.910 -8.795 1.00 0.00 N ATOM 231 CA ALA A 15 1.780 -4.464 -7.418 1.00 0.00 C ATOM 232 C ALA A 15 0.633 -5.462 -7.255 1.00 0.00 C ATOM 233 O ALA A 15 0.828 -6.587 -6.837 1.00 0.00 O ATOM 234 CB ALA A 15 1.599 -3.319 -6.416 1.00 0.00 C ATOM 0 H ALA A 15 1.505 -2.927 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 15 2.728 -4.971 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.605 -3.719 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.414 -2.604 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.649 -2.819 -6.603 1.00 0.00 H new ATOM 240 N ILE A 16 -0.565 -5.052 -7.568 1.00 0.00 N ATOM 241 CA ILE A 16 -1.736 -5.970 -7.414 1.00 0.00 C ATOM 242 C ILE A 16 -1.896 -6.835 -8.670 1.00 0.00 C ATOM 243 O ILE A 16 -2.341 -7.964 -8.604 1.00 0.00 O ATOM 244 CB ILE A 16 -3.032 -5.170 -7.173 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.731 -3.667 -7.058 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.678 -5.653 -5.875 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.920 -2.941 -6.423 1.00 0.00 C ATOM 0 H ILE A 16 -0.787 -4.122 -7.924 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.553 -6.610 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.705 -5.327 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.836 -3.512 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.526 -3.252 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.596 -5.093 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.911 -6.715 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.989 -5.496 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.697 -1.877 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.806 -3.082 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.105 -3.346 -5.428 1.00 0.00 H new ATOM 259 N SER A 17 -1.541 -6.315 -9.810 1.00 0.00 N ATOM 260 CA SER A 17 -1.677 -7.104 -11.069 1.00 0.00 C ATOM 261 C SER A 17 -0.799 -8.356 -10.999 1.00 0.00 C ATOM 262 O SER A 17 -1.183 -9.417 -11.449 1.00 0.00 O ATOM 263 CB SER A 17 -1.239 -6.245 -12.255 1.00 0.00 C ATOM 264 OG SER A 17 -2.147 -5.162 -12.410 1.00 0.00 O ATOM 0 H SER A 17 -1.161 -5.376 -9.927 1.00 0.00 H new ATOM 0 HA SER A 17 -2.718 -7.403 -11.193 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.229 -5.868 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.213 -6.846 -13.164 1.00 0.00 H new ATOM 0 HG SER A 17 -2.066 -4.555 -11.645 1.00 0.00 H new ATOM 270 N SER A 18 0.377 -8.242 -10.446 1.00 0.00 N ATOM 271 CA SER A 18 1.274 -9.429 -10.358 1.00 0.00 C ATOM 272 C SER A 18 1.086 -10.122 -9.007 1.00 0.00 C ATOM 273 O SER A 18 1.695 -11.136 -8.731 1.00 0.00 O ATOM 274 CB SER A 18 2.729 -8.980 -10.502 1.00 0.00 C ATOM 275 OG SER A 18 3.577 -9.931 -9.873 1.00 0.00 O ATOM 0 H SER A 18 0.755 -7.380 -10.052 1.00 0.00 H new ATOM 0 HA SER A 18 1.026 -10.127 -11.158 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.990 -8.884 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.865 -7.998 -10.049 1.00 0.00 H new ATOM 0 HG SER A 18 3.065 -10.741 -9.667 1.00 0.00 H new ATOM 281 N ALA A 19 0.246 -9.588 -8.163 1.00 0.00 N ATOM 282 CA ALA A 19 0.025 -10.226 -6.835 1.00 0.00 C ATOM 283 C ALA A 19 -0.745 -11.533 -7.026 1.00 0.00 C ATOM 284 O ALA A 19 -0.927 -12.000 -8.133 1.00 0.00 O ATOM 285 CB ALA A 19 -0.785 -9.283 -5.943 1.00 0.00 C ATOM 0 H ALA A 19 -0.295 -8.741 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 19 0.986 -10.432 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.946 -9.750 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.239 -8.349 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.748 -9.077 -6.411 1.00 0.00 H new ATOM 291 N GLN A 20 -1.203 -12.126 -5.958 1.00 0.00 N ATOM 292 CA GLN A 20 -1.964 -13.399 -6.087 1.00 0.00 C ATOM 293 C GLN A 20 -3.024 -13.245 -7.178 1.00 0.00 C ATOM 294 O GLN A 20 -2.791 -13.543 -8.333 1.00 0.00 O ATOM 295 CB GLN A 20 -2.650 -13.721 -4.758 1.00 0.00 C ATOM 296 CG GLN A 20 -1.640 -14.335 -3.788 1.00 0.00 C ATOM 297 CD GLN A 20 -2.264 -14.424 -2.394 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.340 -14.964 -2.231 1.00 0.00 O ATOM 299 NE2 GLN A 20 -1.631 -13.912 -1.374 1.00 0.00 N ATOM 0 H GLN A 20 -1.083 -11.785 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.281 -14.207 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.075 -12.814 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.476 -14.413 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.346 -15.327 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.735 -13.728 -3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.728 -13.458 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.040 -13.965 -0.441 1.00 0.00 H new ATOM 308 N ASP A 21 -4.187 -12.780 -6.818 1.00 0.00 N ATOM 309 CA ASP A 21 -5.266 -12.602 -7.827 1.00 0.00 C ATOM 310 C ASP A 21 -5.188 -11.190 -8.413 1.00 0.00 C ATOM 311 O ASP A 21 -4.846 -11.000 -9.563 1.00 0.00 O ATOM 312 CB ASP A 21 -6.624 -12.798 -7.153 1.00 0.00 C ATOM 313 CG ASP A 21 -7.575 -13.503 -8.120 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.191 -14.531 -8.652 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.671 -13.002 -8.312 1.00 0.00 O ATOM 0 H ASP A 21 -4.437 -12.515 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.144 -13.334 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.509 -13.388 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.038 -11.834 -6.857 1.00 0.00 H new ATOM 320 N ARG A 22 -5.504 -10.202 -7.623 1.00 0.00 N ATOM 321 CA ARG A 22 -5.454 -8.798 -8.119 1.00 0.00 C ATOM 322 C ARG A 22 -5.803 -7.851 -6.970 1.00 0.00 C ATOM 323 O ARG A 22 -6.378 -6.800 -7.172 1.00 0.00 O ATOM 324 CB ARG A 22 -6.467 -8.617 -9.253 1.00 0.00 C ATOM 325 CG ARG A 22 -7.842 -9.115 -8.799 1.00 0.00 C ATOM 326 CD ARG A 22 -8.682 -9.482 -10.023 1.00 0.00 C ATOM 327 NE ARG A 22 -9.306 -10.819 -9.815 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.396 -11.138 -10.458 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.689 -10.543 -11.582 1.00 0.00 N ATOM 330 NH2 ARG A 22 -11.194 -12.052 -9.977 1.00 0.00 N ATOM 0 H ARG A 22 -5.796 -10.307 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.454 -8.576 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.525 -7.566 -9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.143 -9.169 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.730 -9.982 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.346 -8.343 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.454 -8.730 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.057 -9.496 -10.916 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.881 -11.485 -9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.066 -9.828 -11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.541 -10.793 -12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.966 -12.517 -9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.046 -12.301 -10.480 1.00 0.00 H new ATOM 344 N GLN A 23 -5.464 -8.216 -5.764 1.00 0.00 N ATOM 345 CA GLN A 23 -5.780 -7.338 -4.605 1.00 0.00 C ATOM 346 C GLN A 23 -4.577 -7.272 -3.665 1.00 0.00 C ATOM 347 O GLN A 23 -3.818 -8.213 -3.543 1.00 0.00 O ATOM 348 CB GLN A 23 -6.982 -7.905 -3.846 1.00 0.00 C ATOM 349 CG GLN A 23 -6.918 -9.434 -3.854 1.00 0.00 C ATOM 350 CD GLN A 23 -7.642 -9.980 -2.623 1.00 0.00 C ATOM 351 OE1 GLN A 23 -7.051 -10.659 -1.807 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.908 -9.711 -2.454 1.00 0.00 N ATOM 0 H GLN A 23 -4.982 -9.085 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.014 -6.337 -4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.984 -7.536 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.909 -7.567 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.378 -9.823 -4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.880 -9.765 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.404 -9.141 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.401 -10.071 -1.637 1.00 0.00 H new ATOM 361 N LEU A 24 -4.399 -6.167 -2.994 1.00 0.00 N ATOM 362 CA LEU A 24 -3.250 -6.040 -2.060 1.00 0.00 C ATOM 363 C LEU A 24 -3.709 -5.346 -0.782 1.00 0.00 C ATOM 364 O LEU A 24 -4.575 -4.499 -0.804 1.00 0.00 O ATOM 365 CB LEU A 24 -2.160 -5.185 -2.704 1.00 0.00 C ATOM 366 CG LEU A 24 -1.206 -6.072 -3.499 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.041 -5.226 -4.008 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.667 -7.183 -2.597 1.00 0.00 C ATOM 0 H LEU A 24 -5.002 -5.347 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.864 -7.034 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.610 -4.440 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.610 -4.642 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.737 -6.515 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.644 -5.855 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.422 -4.431 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.487 -4.787 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.014 -7.816 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.134 -6.742 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.496 -7.785 -2.226 1.00 0.00 H new ATOM 380 N THR A 25 -3.116 -5.671 0.329 1.00 0.00 N ATOM 381 CA THR A 25 -3.508 -4.991 1.587 1.00 0.00 C ATOM 382 C THR A 25 -2.808 -3.633 1.613 1.00 0.00 C ATOM 383 O THR A 25 -1.891 -3.393 0.853 1.00 0.00 O ATOM 384 CB THR A 25 -3.061 -5.824 2.790 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.677 -6.119 2.672 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.862 -7.125 2.835 1.00 0.00 C ATOM 0 H THR A 25 -2.382 -6.373 0.419 1.00 0.00 H new ATOM 0 HA THR A 25 -4.590 -4.869 1.635 1.00 0.00 H new ATOM 0 HB THR A 25 -3.234 -5.262 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.389 -6.651 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.544 -7.719 3.692 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.924 -6.896 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.691 -7.690 1.919 1.00 0.00 H new ATOM 394 N LEU A 26 -3.220 -2.742 2.463 1.00 0.00 N ATOM 395 CA LEU A 26 -2.542 -1.414 2.491 1.00 0.00 C ATOM 396 C LEU A 26 -1.033 -1.641 2.570 1.00 0.00 C ATOM 397 O LEU A 26 -0.254 -0.936 1.959 1.00 0.00 O ATOM 398 CB LEU A 26 -3.000 -0.594 3.705 1.00 0.00 C ATOM 399 CG LEU A 26 -3.540 0.758 3.232 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.251 1.456 4.391 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.379 1.630 2.748 1.00 0.00 C ATOM 0 H LEU A 26 -3.982 -2.867 3.130 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.799 -0.861 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.772 -1.135 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.167 -0.445 4.392 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.244 0.602 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.636 2.419 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.078 0.836 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.547 1.612 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.763 2.593 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.676 1.786 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.870 1.133 1.922 1.00 0.00 H new ATOM 413 N SER A 27 -0.613 -2.628 3.317 1.00 0.00 N ATOM 414 CA SER A 27 0.846 -2.911 3.435 1.00 0.00 C ATOM 415 C SER A 27 1.235 -4.072 2.511 1.00 0.00 C ATOM 416 O SER A 27 2.196 -4.771 2.759 1.00 0.00 O ATOM 417 CB SER A 27 1.171 -3.285 4.879 1.00 0.00 C ATOM 418 OG SER A 27 2.254 -2.487 5.339 1.00 0.00 O ATOM 0 H SER A 27 -1.219 -3.251 3.851 1.00 0.00 H new ATOM 0 HA SER A 27 1.407 -2.022 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.297 -3.132 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.430 -4.342 4.944 1.00 0.00 H new ATOM 0 HG SER A 27 2.464 -2.724 6.267 1.00 0.00 H new ATOM 424 N GLY A 28 0.509 -4.282 1.443 1.00 0.00 N ATOM 425 CA GLY A 28 0.863 -5.397 0.514 1.00 0.00 C ATOM 426 C GLY A 28 1.608 -4.806 -0.672 1.00 0.00 C ATOM 427 O GLY A 28 2.659 -5.265 -1.074 1.00 0.00 O ATOM 0 H GLY A 28 -0.308 -3.734 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.483 -6.135 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.037 -5.913 0.179 1.00 0.00 H new ATOM 431 N ILE A 29 1.054 -3.772 -1.220 1.00 0.00 N ATOM 432 CA ILE A 29 1.664 -3.084 -2.369 1.00 0.00 C ATOM 433 C ILE A 29 3.093 -2.693 -2.026 1.00 0.00 C ATOM 434 O ILE A 29 3.949 -2.584 -2.882 1.00 0.00 O ATOM 435 CB ILE A 29 0.834 -1.845 -2.608 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.201 -1.220 -3.939 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.069 -0.841 -1.481 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.509 0.127 -4.032 1.00 0.00 C ATOM 0 H ILE A 29 0.173 -3.365 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 29 1.689 -3.720 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.220 -2.123 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.281 -1.099 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.891 -1.865 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.468 0.051 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.783 -1.289 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.124 -0.568 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.757 0.599 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.570 -0.013 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.842 0.764 -3.213 1.00 0.00 H new ATOM 450 N TYR A 30 3.351 -2.495 -0.773 1.00 0.00 N ATOM 451 CA TYR A 30 4.725 -2.119 -0.349 1.00 0.00 C ATOM 452 C TYR A 30 5.606 -3.360 -0.414 1.00 0.00 C ATOM 453 O TYR A 30 6.653 -3.360 -1.030 1.00 0.00 O ATOM 454 CB TYR A 30 4.685 -1.572 1.077 1.00 0.00 C ATOM 455 CG TYR A 30 3.563 -0.569 1.179 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.218 0.203 0.065 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.862 -0.419 2.377 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.172 1.127 0.149 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.815 0.504 2.463 1.00 0.00 C ATOM 460 CZ TYR A 30 1.469 1.278 1.349 1.00 0.00 C ATOM 461 OH TYR A 30 0.438 2.190 1.436 1.00 0.00 O ATOM 0 H TYR A 30 2.670 -2.577 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 30 5.129 -1.349 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.532 -2.383 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.636 -1.102 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.760 0.085 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.128 -1.016 3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.907 1.723 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.273 0.620 3.390 1.00 0.00 H new ATOM 0 HH TYR A 30 0.807 3.091 1.551 1.00 0.00 H new ATOM 471 N ALA A 31 5.180 -4.428 0.199 1.00 0.00 N ATOM 472 CA ALA A 31 5.985 -5.673 0.147 1.00 0.00 C ATOM 473 C ALA A 31 6.157 -6.071 -1.319 1.00 0.00 C ATOM 474 O ALA A 31 7.074 -6.781 -1.679 1.00 0.00 O ATOM 475 CB ALA A 31 5.260 -6.788 0.902 1.00 0.00 C ATOM 0 H ALA A 31 4.312 -4.490 0.731 1.00 0.00 H new ATOM 0 HA ALA A 31 6.958 -5.511 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.854 -7.701 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.120 -6.492 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.288 -6.967 0.442 1.00 0.00 H new ATOM 481 N HIS A 32 5.277 -5.609 -2.173 1.00 0.00 N ATOM 482 CA HIS A 32 5.385 -5.948 -3.616 1.00 0.00 C ATOM 483 C HIS A 32 6.489 -5.097 -4.253 1.00 0.00 C ATOM 484 O HIS A 32 7.524 -5.596 -4.649 1.00 0.00 O ATOM 485 CB HIS A 32 4.049 -5.657 -4.300 1.00 0.00 C ATOM 486 CG HIS A 32 4.141 -6.066 -5.744 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.389 -7.105 -6.268 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.904 -5.593 -6.782 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.714 -7.225 -7.568 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.634 -6.327 -7.933 1.00 0.00 N ATOM 0 H HIS A 32 4.488 -5.011 -1.927 1.00 0.00 H new ATOM 0 HA HIS A 32 5.630 -7.004 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.245 -6.202 -3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.810 -4.596 -4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.607 -4.776 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.284 -7.957 -8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.049 -6.206 -8.857 1.00 0.00 H new ATOM 498 N ILE A 33 6.274 -3.813 -4.343 1.00 0.00 N ATOM 499 CA ILE A 33 7.304 -2.913 -4.939 1.00 0.00 C ATOM 500 C ILE A 33 8.629 -3.122 -4.210 1.00 0.00 C ATOM 501 O ILE A 33 9.678 -3.205 -4.814 1.00 0.00 O ATOM 502 CB ILE A 33 6.853 -1.466 -4.754 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.759 -0.537 -5.561 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.934 -1.089 -3.275 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.386 0.913 -5.259 1.00 0.00 C ATOM 0 H ILE A 33 5.424 -3.345 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 33 7.429 -3.133 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 33 5.825 -1.364 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.804 -0.717 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.651 -0.739 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.612 -0.056 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.286 -1.747 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.962 -1.195 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.029 1.581 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.346 1.086 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.517 1.108 -4.195 1.00 0.00 H new ATOM 517 N THR A 34 8.586 -3.201 -2.912 1.00 0.00 N ATOM 518 CA THR A 34 9.840 -3.401 -2.135 1.00 0.00 C ATOM 519 C THR A 34 10.472 -4.745 -2.513 1.00 0.00 C ATOM 520 O THR A 34 11.655 -4.959 -2.327 1.00 0.00 O ATOM 521 CB THR A 34 9.523 -3.390 -0.637 1.00 0.00 C ATOM 522 OG1 THR A 34 8.617 -4.444 -0.339 1.00 0.00 O ATOM 523 CG2 THR A 34 8.891 -2.050 -0.256 1.00 0.00 C ATOM 0 H THR A 34 7.735 -3.136 -2.353 1.00 0.00 H new ATOM 0 HA THR A 34 10.538 -2.596 -2.365 1.00 0.00 H new ATOM 0 HB THR A 34 10.443 -3.529 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.749 -4.256 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.666 -2.044 0.811 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.586 -1.242 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.970 -1.908 -0.822 1.00 0.00 H new ATOM 531 N LYS A 35 9.695 -5.653 -3.038 1.00 0.00 N ATOM 532 CA LYS A 35 10.251 -6.983 -3.423 1.00 0.00 C ATOM 533 C LYS A 35 10.914 -6.892 -4.800 1.00 0.00 C ATOM 534 O LYS A 35 11.993 -7.409 -5.014 1.00 0.00 O ATOM 535 CB LYS A 35 9.121 -8.013 -3.475 1.00 0.00 C ATOM 536 CG LYS A 35 8.883 -8.581 -2.075 1.00 0.00 C ATOM 537 CD LYS A 35 9.613 -9.920 -1.941 1.00 0.00 C ATOM 538 CE LYS A 35 9.926 -10.185 -0.468 1.00 0.00 C ATOM 539 NZ LYS A 35 9.352 -11.500 -0.066 1.00 0.00 N ATOM 0 H LYS A 35 8.698 -5.532 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 35 10.993 -7.287 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.209 -7.549 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.378 -8.816 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.242 -7.881 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.815 -8.717 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.997 -10.724 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.535 -9.904 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.004 -10.183 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.511 -9.390 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.565 -11.680 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.321 -11.486 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.769 -12.254 -0.649 1.00 0.00 H new ATOM 553 N HIS A 36 10.279 -6.242 -5.736 1.00 0.00 N ATOM 554 CA HIS A 36 10.878 -6.126 -7.096 1.00 0.00 C ATOM 555 C HIS A 36 11.642 -4.806 -7.209 1.00 0.00 C ATOM 556 O HIS A 36 12.722 -4.748 -7.763 1.00 0.00 O ATOM 557 CB HIS A 36 9.770 -6.165 -8.151 1.00 0.00 C ATOM 558 CG HIS A 36 9.220 -7.562 -8.249 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.987 -8.628 -8.692 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.983 -8.082 -7.965 1.00 0.00 C ATOM 561 CE1 HIS A 36 9.210 -9.726 -8.662 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.978 -9.449 -8.227 1.00 0.00 N ATOM 0 H HIS A 36 9.374 -5.787 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 36 11.563 -6.958 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.975 -5.468 -7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.162 -5.848 -9.118 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.141 -7.517 -7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.542 -10.711 -8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.201 -10.099 -8.112 1.00 0.00 H new ATOM 570 N TYR A 37 11.095 -3.746 -6.682 1.00 0.00 N ATOM 571 CA TYR A 37 11.800 -2.433 -6.757 1.00 0.00 C ATOM 572 C TYR A 37 12.812 -2.350 -5.604 1.00 0.00 C ATOM 573 O TYR A 37 12.461 -2.568 -4.462 1.00 0.00 O ATOM 574 CB TYR A 37 10.784 -1.285 -6.643 1.00 0.00 C ATOM 575 CG TYR A 37 10.759 -0.495 -7.923 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.997 -1.131 -9.145 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.482 0.874 -7.887 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.960 -0.396 -10.331 1.00 0.00 C ATOM 579 CE2 TYR A 37 10.444 1.610 -9.073 1.00 0.00 C ATOM 580 CZ TYR A 37 10.684 0.975 -10.298 1.00 0.00 C ATOM 581 OH TYR A 37 10.647 1.701 -11.472 1.00 0.00 O ATOM 0 H TYR A 37 10.194 -3.730 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 37 12.318 -2.347 -7.712 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.792 -1.685 -6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.049 -0.635 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.209 -2.190 -9.171 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.297 1.363 -6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.145 -0.886 -11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.230 2.668 -9.046 1.00 0.00 H new ATOM 0 HH TYR A 37 10.272 1.147 -12.188 1.00 0.00 H new ATOM 591 N PRO A 38 14.047 -2.059 -5.939 1.00 0.00 N ATOM 592 CA PRO A 38 15.135 -1.966 -4.949 1.00 0.00 C ATOM 593 C PRO A 38 15.099 -0.627 -4.207 1.00 0.00 C ATOM 594 O PRO A 38 15.204 -0.578 -2.998 1.00 0.00 O ATOM 595 CB PRO A 38 16.403 -2.074 -5.803 1.00 0.00 C ATOM 596 CG PRO A 38 16.004 -1.647 -7.235 1.00 0.00 C ATOM 597 CD PRO A 38 14.474 -1.794 -7.329 1.00 0.00 C ATOM 0 HA PRO A 38 15.067 -2.733 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.191 -1.430 -5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.790 -3.093 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.307 -0.618 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.499 -2.272 -7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.011 -0.889 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.193 -2.610 -7.994 1.00 0.00 H new ATOM 605 N TYR A 39 14.966 0.460 -4.915 1.00 0.00 N ATOM 606 CA TYR A 39 14.944 1.786 -4.234 1.00 0.00 C ATOM 607 C TYR A 39 13.656 1.945 -3.425 1.00 0.00 C ATOM 608 O TYR A 39 13.646 2.565 -2.381 1.00 0.00 O ATOM 609 CB TYR A 39 15.022 2.907 -5.266 1.00 0.00 C ATOM 610 CG TYR A 39 15.047 4.224 -4.534 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.858 4.762 -4.028 1.00 0.00 C ATOM 612 CD2 TYR A 39 16.258 4.900 -4.349 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.881 5.979 -3.338 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.281 6.117 -3.657 1.00 0.00 C ATOM 615 CZ TYR A 39 15.093 6.657 -3.151 1.00 0.00 C ATOM 616 OH TYR A 39 15.114 7.856 -2.470 1.00 0.00 O ATOM 0 H TYR A 39 14.872 0.489 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 39 15.803 1.842 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.916 2.797 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.166 2.863 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.924 4.238 -4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 39 17.175 4.483 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.964 6.396 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.216 6.639 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 39 16.033 8.193 -2.428 1.00 0.00 H new ATOM 626 N TYR A 40 12.568 1.397 -3.892 1.00 0.00 N ATOM 627 CA TYR A 40 11.289 1.531 -3.136 1.00 0.00 C ATOM 628 C TYR A 40 11.204 0.434 -2.066 1.00 0.00 C ATOM 629 O TYR A 40 10.132 0.042 -1.650 1.00 0.00 O ATOM 630 CB TYR A 40 10.104 1.412 -4.105 1.00 0.00 C ATOM 631 CG TYR A 40 9.556 2.792 -4.404 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.227 3.634 -5.300 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.383 3.234 -3.777 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.729 4.917 -5.565 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.884 4.514 -4.047 1.00 0.00 C ATOM 636 CZ TYR A 40 8.557 5.355 -4.939 1.00 0.00 C ATOM 637 OH TYR A 40 8.066 6.618 -5.199 1.00 0.00 O ATOM 0 H TYR A 40 12.508 0.865 -4.760 1.00 0.00 H new ATOM 0 HA TYR A 40 11.256 2.506 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.422 0.928 -5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.325 0.786 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.129 3.294 -5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.864 2.587 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.250 5.567 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.978 4.852 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 40 8.813 7.245 -5.300 1.00 0.00 H new ATOM 647 N ARG A 41 12.329 -0.060 -1.611 1.00 0.00 N ATOM 648 CA ARG A 41 12.321 -1.122 -0.566 1.00 0.00 C ATOM 649 C ARG A 41 12.938 -0.565 0.718 1.00 0.00 C ATOM 650 O ARG A 41 12.249 -0.272 1.676 1.00 0.00 O ATOM 651 CB ARG A 41 13.152 -2.317 -1.042 1.00 0.00 C ATOM 652 CG ARG A 41 13.109 -3.423 0.013 1.00 0.00 C ATOM 653 CD ARG A 41 14.536 -3.804 0.412 1.00 0.00 C ATOM 654 NE ARG A 41 14.623 -5.280 0.591 1.00 0.00 N ATOM 655 CZ ARG A 41 14.619 -6.063 -0.453 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.485 -6.461 -0.964 1.00 0.00 N ATOM 657 NH2 ARG A 41 15.747 -6.448 -0.987 1.00 0.00 N ATOM 0 H ARG A 41 13.256 0.230 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 41 11.296 -1.442 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.763 -2.689 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.182 -2.009 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.554 -3.084 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.585 -4.294 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.239 -3.478 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.814 -3.298 1.336 1.00 0.00 H new ATOM 0 HE ARG A 41 14.686 -5.678 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.604 -6.160 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.480 -7.073 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.633 -6.137 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.742 -7.060 -1.803 1.00 0.00 H new ATOM 671 N THR A 42 14.234 -0.416 0.743 1.00 0.00 N ATOM 672 CA THR A 42 14.902 0.122 1.959 1.00 0.00 C ATOM 673 C THR A 42 14.662 1.630 2.043 1.00 0.00 C ATOM 674 O THR A 42 14.685 2.216 3.107 1.00 0.00 O ATOM 675 CB THR A 42 16.406 -0.153 1.876 1.00 0.00 C ATOM 676 OG1 THR A 42 16.761 -0.422 0.526 1.00 0.00 O ATOM 677 CG2 THR A 42 16.757 -1.360 2.747 1.00 0.00 C ATOM 0 H THR A 42 14.860 -0.645 -0.029 1.00 0.00 H new ATOM 0 HA THR A 42 14.493 -0.361 2.846 1.00 0.00 H new ATOM 0 HB THR A 42 16.955 0.719 2.232 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.724 -0.597 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.828 -1.554 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.484 -1.154 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.210 -2.234 2.395 1.00 0.00 H new ATOM 685 N ALA A 43 14.434 2.264 0.924 1.00 0.00 N ATOM 686 CA ALA A 43 14.194 3.734 0.936 1.00 0.00 C ATOM 687 C ALA A 43 12.692 4.010 1.039 1.00 0.00 C ATOM 688 O ALA A 43 11.875 3.129 0.857 1.00 0.00 O ATOM 689 CB ALA A 43 14.739 4.347 -0.355 1.00 0.00 C ATOM 0 H ALA A 43 14.404 1.827 0.003 1.00 0.00 H new ATOM 0 HA ALA A 43 14.701 4.177 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.565 5.423 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.809 4.153 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.232 3.902 -1.211 1.00 0.00 H new ATOM 695 N ASP A 44 12.322 5.227 1.331 1.00 0.00 N ATOM 696 CA ASP A 44 10.874 5.562 1.448 1.00 0.00 C ATOM 697 C ASP A 44 10.721 7.071 1.658 1.00 0.00 C ATOM 698 O ASP A 44 10.943 7.579 2.739 1.00 0.00 O ATOM 699 CB ASP A 44 10.277 4.817 2.644 1.00 0.00 C ATOM 700 CG ASP A 44 11.140 5.068 3.883 1.00 0.00 C ATOM 701 OD1 ASP A 44 12.339 4.867 3.794 1.00 0.00 O ATOM 702 OD2 ASP A 44 10.585 5.456 4.897 1.00 0.00 O ATOM 0 H ASP A 44 12.961 6.005 1.494 1.00 0.00 H new ATOM 0 HA ASP A 44 10.353 5.265 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.256 5.155 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.227 3.749 2.433 1.00 0.00 H new ATOM 707 N LYS A 45 10.349 7.797 0.636 1.00 0.00 N ATOM 708 CA LYS A 45 10.193 9.271 0.792 1.00 0.00 C ATOM 709 C LYS A 45 8.771 9.592 1.274 1.00 0.00 C ATOM 710 O LYS A 45 8.533 9.741 2.456 1.00 0.00 O ATOM 711 CB LYS A 45 10.468 9.955 -0.551 1.00 0.00 C ATOM 712 CG LYS A 45 11.690 10.864 -0.416 1.00 0.00 C ATOM 713 CD LYS A 45 11.239 12.286 -0.078 1.00 0.00 C ATOM 714 CE LYS A 45 10.564 12.914 -1.299 1.00 0.00 C ATOM 715 NZ LYS A 45 11.102 14.286 -1.512 1.00 0.00 N ATOM 0 H LYS A 45 10.148 7.434 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 45 10.904 9.640 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.641 9.207 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.600 10.537 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.352 10.487 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.260 10.864 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.547 12.268 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.096 12.887 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.742 12.301 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.485 12.954 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.644 14.714 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.910 14.868 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.129 14.236 -1.671 1.00 0.00 H new ATOM 729 N GLY A 46 7.822 9.698 0.380 1.00 0.00 N ATOM 730 CA GLY A 46 6.429 10.005 0.812 1.00 0.00 C ATOM 731 C GLY A 46 5.442 9.120 0.043 1.00 0.00 C ATOM 732 O GLY A 46 4.292 9.469 -0.136 1.00 0.00 O ATOM 0 H GLY A 46 7.952 9.586 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.325 9.836 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.206 11.057 0.632 1.00 0.00 H new ATOM 736 N TRP A 47 5.881 7.980 -0.418 1.00 0.00 N ATOM 737 CA TRP A 47 4.970 7.080 -1.177 1.00 0.00 C ATOM 738 C TRP A 47 4.152 6.227 -0.206 1.00 0.00 C ATOM 739 O TRP A 47 3.056 5.802 -0.514 1.00 0.00 O ATOM 740 CB TRP A 47 5.798 6.177 -2.092 1.00 0.00 C ATOM 741 CG TRP A 47 6.522 5.140 -1.291 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.546 5.385 -0.437 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.314 3.698 -1.272 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.969 4.188 0.109 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.244 3.120 -0.375 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.416 2.842 -1.937 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.284 1.746 -0.147 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.456 1.457 -1.710 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.388 0.911 -0.816 1.00 0.00 C ATOM 0 H TRP A 47 6.833 7.634 -0.301 1.00 0.00 H new ATOM 0 HA TRP A 47 4.288 7.680 -1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.147 5.693 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.514 6.777 -2.653 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.963 6.357 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.726 4.105 0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.692 3.253 -2.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.003 1.330 0.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.765 0.808 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.412 -0.155 -0.645 1.00 0.00 H new ATOM 760 N GLN A 48 4.668 5.973 0.964 1.00 0.00 N ATOM 761 CA GLN A 48 3.908 5.150 1.946 1.00 0.00 C ATOM 762 C GLN A 48 2.481 5.690 2.055 1.00 0.00 C ATOM 763 O GLN A 48 1.524 5.010 1.741 1.00 0.00 O ATOM 764 CB GLN A 48 4.592 5.221 3.313 1.00 0.00 C ATOM 765 CG GLN A 48 4.339 3.923 4.082 1.00 0.00 C ATOM 766 CD GLN A 48 4.870 2.736 3.275 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.455 1.614 3.482 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.777 2.937 2.358 1.00 0.00 N ATOM 0 H GLN A 48 5.581 6.299 1.282 1.00 0.00 H new ATOM 0 HA GLN A 48 3.882 4.112 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.663 5.378 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.210 6.071 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.830 3.963 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.272 3.801 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.126 3.879 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.137 2.152 1.816 1.00 0.00 H new ATOM 777 N ASN A 49 2.329 6.911 2.494 1.00 0.00 N ATOM 778 CA ASN A 49 0.963 7.493 2.614 1.00 0.00 C ATOM 779 C ASN A 49 0.407 7.774 1.216 1.00 0.00 C ATOM 780 O ASN A 49 -0.788 7.761 0.998 1.00 0.00 O ATOM 781 CB ASN A 49 1.029 8.796 3.412 1.00 0.00 C ATOM 782 CG ASN A 49 0.282 8.624 4.736 1.00 0.00 C ATOM 783 OD1 ASN A 49 0.862 8.229 5.727 1.00 0.00 O ATOM 784 ND2 ASN A 49 -0.991 8.908 4.794 1.00 0.00 N ATOM 0 H ASN A 49 3.091 7.529 2.774 1.00 0.00 H new ATOM 0 HA ASN A 49 0.311 6.788 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.068 9.066 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.588 9.610 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.499 8.798 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.478 9.240 3.961 1.00 0.00 H new ATOM 791 N SER A 50 1.266 8.028 0.265 1.00 0.00 N ATOM 792 CA SER A 50 0.786 8.306 -1.118 1.00 0.00 C ATOM 793 C SER A 50 -0.025 7.110 -1.620 1.00 0.00 C ATOM 794 O SER A 50 -1.167 7.241 -2.009 1.00 0.00 O ATOM 795 CB SER A 50 1.986 8.531 -2.039 1.00 0.00 C ATOM 796 OG SER A 50 1.558 9.228 -3.204 1.00 0.00 O ATOM 0 H SER A 50 2.278 8.055 0.387 1.00 0.00 H new ATOM 0 HA SER A 50 0.160 9.198 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.755 9.103 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.432 7.575 -2.316 1.00 0.00 H new ATOM 0 HG SER A 50 2.324 9.376 -3.797 1.00 0.00 H new ATOM 802 N ILE A 51 0.557 5.941 -1.608 1.00 0.00 N ATOM 803 CA ILE A 51 -0.181 4.736 -2.078 1.00 0.00 C ATOM 804 C ILE A 51 -1.583 4.732 -1.460 1.00 0.00 C ATOM 805 O ILE A 51 -2.577 4.771 -2.157 1.00 0.00 O ATOM 806 CB ILE A 51 0.601 3.476 -1.660 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.550 3.069 -2.785 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.353 2.304 -1.397 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.230 4.297 -3.393 1.00 0.00 C ATOM 0 H ILE A 51 1.512 5.770 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.278 4.748 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 51 1.154 3.708 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.305 2.383 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.997 2.534 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.222 1.426 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.044 2.570 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.916 2.083 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.901 3.983 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.473 4.969 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.801 4.816 -2.623 1.00 0.00 H new ATOM 821 N ARG A 52 -1.673 4.691 -0.158 1.00 0.00 N ATOM 822 CA ARG A 52 -3.014 4.685 0.490 1.00 0.00 C ATOM 823 C ARG A 52 -3.864 5.810 -0.105 1.00 0.00 C ATOM 824 O ARG A 52 -5.041 5.645 -0.355 1.00 0.00 O ATOM 825 CB ARG A 52 -2.856 4.905 1.997 1.00 0.00 C ATOM 826 CG ARG A 52 -4.229 4.840 2.672 1.00 0.00 C ATOM 827 CD ARG A 52 -4.477 6.133 3.452 1.00 0.00 C ATOM 828 NE ARG A 52 -5.938 6.422 3.489 1.00 0.00 N ATOM 829 CZ ARG A 52 -6.720 5.739 4.282 1.00 0.00 C ATOM 830 NH1 ARG A 52 -6.530 5.775 5.573 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.691 5.022 3.783 1.00 0.00 N ATOM 0 H ARG A 52 -0.879 4.662 0.482 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.501 3.726 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.196 4.147 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.392 5.873 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.008 4.700 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.275 3.983 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.089 6.038 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.944 6.960 2.983 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.328 7.154 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.772 6.336 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.140 5.242 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.839 4.995 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.301 4.489 4.402 1.00 0.00 H new ATOM 845 N HIS A 53 -3.274 6.950 -0.338 1.00 0.00 N ATOM 846 CA HIS A 53 -4.048 8.082 -0.923 1.00 0.00 C ATOM 847 C HIS A 53 -4.287 7.825 -2.413 1.00 0.00 C ATOM 848 O HIS A 53 -5.317 8.174 -2.955 1.00 0.00 O ATOM 849 CB HIS A 53 -3.258 9.380 -0.752 1.00 0.00 C ATOM 850 CG HIS A 53 -4.203 10.549 -0.794 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.235 10.698 0.118 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.285 11.632 -1.634 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.887 11.834 -0.191 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.349 12.442 -1.251 1.00 0.00 N ATOM 0 H HIS A 53 -2.291 7.147 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.007 8.167 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.718 9.368 0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.513 9.472 -1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.624 11.826 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.742 12.208 0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.653 13.313 -1.686 1.00 0.00 H new ATOM 862 N ASN A 54 -3.342 7.220 -3.083 1.00 0.00 N ATOM 863 CA ASN A 54 -3.516 6.949 -4.537 1.00 0.00 C ATOM 864 C ASN A 54 -4.660 5.955 -4.741 1.00 0.00 C ATOM 865 O ASN A 54 -5.411 6.043 -5.692 1.00 0.00 O ATOM 866 CB ASN A 54 -2.221 6.357 -5.101 1.00 0.00 C ATOM 867 CG ASN A 54 -1.268 7.488 -5.490 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.606 8.335 -6.293 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.079 7.538 -4.952 1.00 0.00 N ATOM 0 H ASN A 54 -2.458 6.903 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.749 7.880 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.751 5.711 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.441 5.737 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.565 8.287 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.206 6.828 -4.278 1.00 0.00 H new ATOM 876 N LEU A 55 -4.796 5.003 -3.860 1.00 0.00 N ATOM 877 CA LEU A 55 -5.888 4.000 -4.011 1.00 0.00 C ATOM 878 C LEU A 55 -7.251 4.682 -3.875 1.00 0.00 C ATOM 879 O LEU A 55 -8.254 4.177 -4.340 1.00 0.00 O ATOM 880 CB LEU A 55 -5.740 2.927 -2.931 1.00 0.00 C ATOM 881 CG LEU A 55 -4.335 2.325 -2.996 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.300 1.029 -2.185 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.970 2.025 -4.452 1.00 0.00 C ATOM 0 H LEU A 55 -4.199 4.876 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.821 3.541 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.916 3.361 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.488 2.147 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.618 3.034 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.300 0.598 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.557 1.242 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.018 0.321 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.969 1.596 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.686 1.317 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.995 2.948 -5.031 1.00 0.00 H new ATOM 895 N SER A 56 -7.301 5.822 -3.244 1.00 0.00 N ATOM 896 CA SER A 56 -8.604 6.525 -3.086 1.00 0.00 C ATOM 897 C SER A 56 -8.846 7.424 -4.298 1.00 0.00 C ATOM 898 O SER A 56 -9.926 7.456 -4.856 1.00 0.00 O ATOM 899 CB SER A 56 -8.574 7.377 -1.817 1.00 0.00 C ATOM 900 OG SER A 56 -8.973 6.583 -0.708 1.00 0.00 O ATOM 0 H SER A 56 -6.498 6.296 -2.832 1.00 0.00 H new ATOM 0 HA SER A 56 -9.406 5.791 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.571 7.772 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.240 8.233 -1.924 1.00 0.00 H new ATOM 0 HG SER A 56 -8.953 7.126 0.107 1.00 0.00 H new ATOM 906 N LEU A 57 -7.851 8.159 -4.706 1.00 0.00 N ATOM 907 CA LEU A 57 -8.019 9.062 -5.874 1.00 0.00 C ATOM 908 C LEU A 57 -7.646 8.325 -7.165 1.00 0.00 C ATOM 909 O LEU A 57 -7.587 8.914 -8.226 1.00 0.00 O ATOM 910 CB LEU A 57 -7.110 10.276 -5.698 1.00 0.00 C ATOM 911 CG LEU A 57 -5.648 9.826 -5.688 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.010 10.138 -7.043 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.894 10.573 -4.586 1.00 0.00 C ATOM 0 H LEU A 57 -6.925 8.172 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.059 9.383 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.276 10.988 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.349 10.790 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.598 8.753 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.968 9.818 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.548 9.608 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.059 11.211 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.852 10.254 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.943 11.646 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.349 10.353 -3.620 1.00 0.00 H new ATOM 925 N ASN A 58 -7.398 7.043 -7.090 1.00 0.00 N ATOM 926 CA ASN A 58 -7.034 6.292 -8.332 1.00 0.00 C ATOM 927 C ASN A 58 -8.295 6.051 -9.159 1.00 0.00 C ATOM 928 O ASN A 58 -9.395 6.030 -8.644 1.00 0.00 O ATOM 929 CB ASN A 58 -6.381 4.947 -7.989 1.00 0.00 C ATOM 930 CG ASN A 58 -4.897 5.001 -8.354 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.445 4.272 -9.216 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.113 5.839 -7.734 1.00 0.00 N ATOM 0 H ASN A 58 -7.431 6.488 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.318 6.885 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.499 4.732 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.873 4.141 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.122 5.882 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.491 6.451 -7.011 1.00 0.00 H new ATOM 939 N ARG A 59 -8.146 5.886 -10.443 1.00 0.00 N ATOM 940 CA ARG A 59 -9.337 5.667 -11.309 1.00 0.00 C ATOM 941 C ARG A 59 -9.641 4.170 -11.446 1.00 0.00 C ATOM 942 O ARG A 59 -10.773 3.783 -11.652 1.00 0.00 O ATOM 943 CB ARG A 59 -9.069 6.260 -12.692 1.00 0.00 C ATOM 944 CG ARG A 59 -10.224 5.912 -13.631 1.00 0.00 C ATOM 945 CD ARG A 59 -10.871 7.200 -14.139 1.00 0.00 C ATOM 946 NE ARG A 59 -11.334 7.002 -15.541 1.00 0.00 N ATOM 947 CZ ARG A 59 -12.570 7.269 -15.864 1.00 0.00 C ATOM 948 NH1 ARG A 59 -13.145 8.347 -15.405 1.00 0.00 N ATOM 949 NH2 ARG A 59 -13.228 6.458 -16.646 1.00 0.00 N ATOM 0 H ARG A 59 -7.250 5.893 -10.931 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.198 6.155 -10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.959 7.342 -12.620 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.132 5.870 -13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.859 5.320 -14.470 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.962 5.303 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.712 7.473 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.156 8.022 -14.093 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.685 6.658 -16.249 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.628 8.980 -14.794 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.111 8.556 -15.657 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.776 5.616 -17.004 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.194 6.665 -16.899 1.00 0.00 H new ATOM 963 N TYR A 60 -8.649 3.324 -11.353 1.00 0.00 N ATOM 964 CA TYR A 60 -8.923 1.863 -11.504 1.00 0.00 C ATOM 965 C TYR A 60 -8.556 1.106 -10.226 1.00 0.00 C ATOM 966 O TYR A 60 -8.141 -0.033 -10.278 1.00 0.00 O ATOM 967 CB TYR A 60 -8.104 1.301 -12.667 1.00 0.00 C ATOM 968 CG TYR A 60 -6.768 1.998 -12.736 1.00 0.00 C ATOM 969 CD1 TYR A 60 -5.965 2.107 -11.593 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.332 2.538 -13.950 1.00 0.00 C ATOM 971 CE1 TYR A 60 -4.727 2.756 -11.669 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.096 3.185 -14.027 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.293 3.295 -12.887 1.00 0.00 C ATOM 974 OH TYR A 60 -3.073 3.935 -12.962 1.00 0.00 O ATOM 0 H TYR A 60 -7.675 3.575 -11.182 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.988 1.735 -11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.959 0.229 -12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.644 1.438 -13.604 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.301 1.691 -10.655 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.952 2.455 -14.830 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.107 2.841 -10.789 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.761 3.600 -14.966 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.924 4.249 -13.878 1.00 0.00 H new ATOM 984 N PHE A 61 -8.713 1.712 -9.083 1.00 0.00 N ATOM 985 CA PHE A 61 -8.373 0.993 -7.823 1.00 0.00 C ATOM 986 C PHE A 61 -9.545 1.084 -6.847 1.00 0.00 C ATOM 987 O PHE A 61 -10.131 2.131 -6.652 1.00 0.00 O ATOM 988 CB PHE A 61 -7.125 1.609 -7.189 1.00 0.00 C ATOM 989 CG PHE A 61 -5.890 1.238 -7.985 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.864 0.083 -8.786 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.756 2.055 -7.917 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.715 -0.244 -9.508 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.609 1.724 -8.638 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.589 0.576 -9.432 1.00 0.00 C ATOM 0 H PHE A 61 -9.058 2.665 -8.966 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.174 -0.054 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.227 2.693 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.021 1.260 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.735 -0.553 -8.843 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.769 2.944 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.698 -1.131 -10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.735 2.356 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.699 0.322 -9.989 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.891 -0.014 -6.236 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.028 -0.013 -5.272 1.00 0.00 C ATOM 1006 C ILE A 62 -10.677 -0.886 -4.065 1.00 0.00 C ATOM 1007 O ILE A 62 -9.674 -1.570 -4.054 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.275 -0.574 -5.957 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.031 -2.038 -6.333 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.570 0.234 -7.222 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.373 -2.752 -6.515 1.00 0.00 C ATOM 0 H ILE A 62 -9.433 -0.917 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.220 1.007 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.125 -0.507 -5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.449 -2.096 -7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.448 -2.531 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.459 -0.166 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.740 1.277 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.721 0.167 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.197 -3.794 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.938 -2.707 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.940 -2.264 -7.308 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.497 -0.870 -3.050 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.206 -1.701 -1.847 1.00 0.00 C ATOM 1025 C LYS A 63 -12.345 -2.699 -1.625 1.00 0.00 C ATOM 1026 O LYS A 63 -13.375 -2.637 -2.269 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.073 -0.796 -0.621 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.313 0.092 -0.501 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.211 0.942 0.768 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.020 0.029 1.980 1.00 0.00 C ATOM 1031 NZ LYS A 63 -12.742 0.600 3.151 1.00 0.00 N ATOM 0 H LYS A 63 -12.354 -0.319 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.274 -2.245 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.958 -1.400 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.179 -0.179 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.399 0.735 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.212 -0.523 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.375 1.636 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.113 1.542 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.396 -0.970 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.959 -0.073 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.290 0.276 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.708 1.639 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.733 0.285 3.135 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.166 -3.619 -0.719 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.233 -4.623 -0.453 1.00 0.00 C ATOM 1047 C VAL A 64 -13.856 -4.349 0.923 1.00 0.00 C ATOM 1048 O VAL A 64 -13.210 -4.534 1.936 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.618 -6.023 -0.464 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.640 -6.161 0.702 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.726 -7.067 -0.325 1.00 0.00 C ATOM 0 H VAL A 64 -11.325 -3.719 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.004 -4.555 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.087 -6.178 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.202 -7.159 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.849 -5.417 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.170 -6.005 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.288 -8.065 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.257 -6.911 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.424 -6.970 -1.157 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.092 -3.913 0.923 1.00 0.00 N ATOM 1062 CA PRO A 65 -15.821 -3.602 2.165 1.00 0.00 C ATOM 1063 C PRO A 65 -16.298 -4.890 2.843 1.00 0.00 C ATOM 1064 O PRO A 65 -16.298 -5.951 2.254 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.008 -2.763 1.686 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.212 -3.108 0.192 1.00 0.00 C ATOM 1067 CD PRO A 65 -15.877 -3.691 -0.310 1.00 0.00 C ATOM 0 HA PRO A 65 -15.209 -3.082 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.904 -2.992 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.809 -1.699 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.021 -3.828 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.486 -2.220 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.029 -4.621 -0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.371 -3.002 -0.986 1.00 0.00 H new ATOM 1075 N ARG A 66 -16.708 -4.800 4.079 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.187 -6.015 4.795 1.00 0.00 C ATOM 1077 C ARG A 66 -18.718 -6.041 4.790 1.00 0.00 C ATOM 1078 O ARG A 66 -19.335 -6.615 3.915 1.00 0.00 O ATOM 1079 CB ARG A 66 -16.681 -5.986 6.240 1.00 0.00 C ATOM 1080 CG ARG A 66 -17.347 -7.109 7.036 1.00 0.00 C ATOM 1081 CD ARG A 66 -16.783 -8.457 6.584 1.00 0.00 C ATOM 1082 NE ARG A 66 -17.830 -9.508 6.727 1.00 0.00 N ATOM 1083 CZ ARG A 66 -18.151 -9.954 7.910 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -17.221 -10.382 8.720 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -19.401 -9.971 8.285 1.00 0.00 N ATOM 0 H ARG A 66 -16.732 -3.938 4.623 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.808 -6.906 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.598 -6.105 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.904 -5.021 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.170 -6.968 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.426 -7.085 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.454 -8.396 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.909 -8.716 7.181 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.296 -9.879 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.244 -10.368 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.471 -10.731 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.128 -9.635 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.651 -10.320 9.210 1.00 0.00 H new ATOM 1099 N SER A 67 -19.335 -5.422 5.761 1.00 0.00 N ATOM 1100 CA SER A 67 -20.824 -5.410 5.811 1.00 0.00 C ATOM 1101 C SER A 67 -21.295 -4.252 6.695 1.00 0.00 C ATOM 1102 O SER A 67 -21.926 -4.452 7.714 1.00 0.00 O ATOM 1103 CB SER A 67 -21.325 -6.733 6.394 1.00 0.00 C ATOM 1104 OG SER A 67 -21.093 -7.776 5.456 1.00 0.00 O ATOM 0 H SER A 67 -18.871 -4.924 6.521 1.00 0.00 H new ATOM 0 HA SER A 67 -21.221 -5.283 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.811 -6.949 7.331 1.00 0.00 H new ATOM 0 HB3 SER A 67 -22.388 -6.664 6.623 1.00 0.00 H new ATOM 0 HG SER A 67 -20.765 -7.393 4.615 1.00 0.00 H new ATOM 1110 N GLN A 68 -20.993 -3.041 6.313 1.00 0.00 N ATOM 1111 CA GLN A 68 -21.422 -1.871 7.131 1.00 0.00 C ATOM 1112 C GLN A 68 -21.521 -0.633 6.237 1.00 0.00 C ATOM 1113 O GLN A 68 -21.100 -0.643 5.098 1.00 0.00 O ATOM 1114 CB GLN A 68 -20.396 -1.620 8.239 1.00 0.00 C ATOM 1115 CG GLN A 68 -20.684 -2.548 9.420 1.00 0.00 C ATOM 1116 CD GLN A 68 -19.763 -2.192 10.587 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -19.557 -1.032 10.883 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -19.194 -3.150 11.267 1.00 0.00 N ATOM 0 H GLN A 68 -20.468 -2.811 5.469 1.00 0.00 H new ATOM 0 HA GLN A 68 -22.395 -2.076 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.388 -1.795 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.440 -0.580 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.726 -2.454 9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.531 -3.586 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.367 -4.124 11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.576 -2.925 12.047 1.00 0.00 H new ATOM 1127 N GLU A 69 -22.076 0.434 6.745 1.00 0.00 N ATOM 1128 CA GLU A 69 -22.202 1.671 5.924 1.00 0.00 C ATOM 1129 C GLU A 69 -21.295 2.759 6.499 1.00 0.00 C ATOM 1130 O GLU A 69 -21.707 3.887 6.688 1.00 0.00 O ATOM 1131 CB GLU A 69 -23.653 2.153 5.950 1.00 0.00 C ATOM 1132 CG GLU A 69 -24.428 1.497 4.806 1.00 0.00 C ATOM 1133 CD GLU A 69 -25.915 1.822 4.944 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -26.506 1.398 5.924 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -26.439 2.489 4.068 1.00 0.00 O ATOM 0 H GLU A 69 -22.447 0.502 7.693 1.00 0.00 H new ATOM 0 HA GLU A 69 -21.907 1.457 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -24.113 1.903 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -23.689 3.238 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.054 1.856 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.278 0.418 4.823 1.00 0.00 H new ATOM 1142 N GLU A 70 -20.065 2.433 6.780 1.00 0.00 N ATOM 1143 CA GLU A 70 -19.136 3.452 7.345 1.00 0.00 C ATOM 1144 C GLU A 70 -17.764 3.322 6.672 1.00 0.00 C ATOM 1145 O GLU A 70 -16.979 2.468 7.035 1.00 0.00 O ATOM 1146 CB GLU A 70 -18.987 3.222 8.851 1.00 0.00 C ATOM 1147 CG GLU A 70 -19.625 4.385 9.612 1.00 0.00 C ATOM 1148 CD GLU A 70 -18.904 5.686 9.254 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -17.987 5.630 8.452 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -19.281 6.715 9.790 1.00 0.00 O ATOM 0 H GLU A 70 -19.662 1.506 6.643 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.536 4.450 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.463 2.283 9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.933 3.137 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.683 4.462 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.565 4.207 10.686 1.00 0.00 H new ATOM 1157 N PRO A 71 -17.516 4.173 5.708 1.00 0.00 N ATOM 1158 CA PRO A 71 -16.245 4.176 4.964 1.00 0.00 C ATOM 1159 C PRO A 71 -15.140 4.831 5.798 1.00 0.00 C ATOM 1160 O PRO A 71 -15.022 6.038 5.854 1.00 0.00 O ATOM 1161 CB PRO A 71 -16.560 5.008 3.718 1.00 0.00 C ATOM 1162 CG PRO A 71 -17.776 5.892 4.081 1.00 0.00 C ATOM 1163 CD PRO A 71 -18.475 5.210 5.273 1.00 0.00 C ATOM 0 HA PRO A 71 -15.887 3.176 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.705 5.621 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.787 4.364 2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.457 6.901 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.456 5.983 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.684 5.921 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.429 4.772 4.979 1.00 0.00 H new ATOM 1171 N GLY A 72 -14.331 4.040 6.449 1.00 0.00 N ATOM 1172 CA GLY A 72 -13.237 4.613 7.280 1.00 0.00 C ATOM 1173 C GLY A 72 -12.325 3.484 7.769 1.00 0.00 C ATOM 1174 O GLY A 72 -11.983 3.408 8.933 1.00 0.00 O ATOM 0 H GLY A 72 -14.381 3.021 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.662 5.333 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.655 5.152 8.130 1.00 0.00 H new ATOM 1178 N LYS A 73 -11.927 2.609 6.887 1.00 0.00 N ATOM 1179 CA LYS A 73 -11.037 1.487 7.299 1.00 0.00 C ATOM 1180 C LYS A 73 -10.671 0.656 6.067 1.00 0.00 C ATOM 1181 O LYS A 73 -11.506 0.364 5.233 1.00 0.00 O ATOM 1182 CB LYS A 73 -11.762 0.606 8.318 1.00 0.00 C ATOM 1183 CG LYS A 73 -11.101 0.761 9.689 1.00 0.00 C ATOM 1184 CD LYS A 73 -10.481 -0.572 10.110 1.00 0.00 C ATOM 1185 CE LYS A 73 -9.329 -0.316 11.084 1.00 0.00 C ATOM 1186 NZ LYS A 73 -9.770 -0.640 12.470 1.00 0.00 N ATOM 0 H LYS A 73 -12.180 2.622 5.899 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.130 1.886 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.813 0.888 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.728 -0.437 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.334 1.535 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.838 1.080 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.235 -1.203 10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.118 -1.109 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.467 -0.926 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.014 0.726 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.988 -0.466 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.580 -0.040 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.051 -1.640 12.520 1.00 0.00 H new ATOM 1200 N GLY A 74 -9.429 0.275 5.942 1.00 0.00 N ATOM 1201 CA GLY A 74 -9.015 -0.531 4.758 1.00 0.00 C ATOM 1202 C GLY A 74 -8.355 -1.831 5.224 1.00 0.00 C ATOM 1203 O GLY A 74 -7.635 -1.859 6.202 1.00 0.00 O ATOM 0 H GLY A 74 -8.685 0.486 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.882 -0.755 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.321 0.040 4.142 1.00 0.00 H new ATOM 1207 N SER A 75 -8.594 -2.907 4.526 1.00 0.00 N ATOM 1208 CA SER A 75 -7.983 -4.207 4.919 1.00 0.00 C ATOM 1209 C SER A 75 -7.384 -4.878 3.680 1.00 0.00 C ATOM 1210 O SER A 75 -6.275 -5.373 3.704 1.00 0.00 O ATOM 1211 CB SER A 75 -9.057 -5.113 5.522 1.00 0.00 C ATOM 1212 OG SER A 75 -9.744 -5.790 4.478 1.00 0.00 O ATOM 0 H SER A 75 -9.188 -2.941 3.698 1.00 0.00 H new ATOM 0 HA SER A 75 -7.199 -4.035 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.601 -5.835 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.759 -4.522 6.111 1.00 0.00 H new ATOM 0 HG SER A 75 -10.432 -6.373 4.863 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.110 -4.892 2.595 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.583 -5.524 1.353 1.00 0.00 C ATOM 1220 C PHE A 76 -7.944 -4.652 0.149 1.00 0.00 C ATOM 1221 O PHE A 76 -9.102 -4.430 -0.144 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.200 -6.914 1.184 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.133 -7.887 0.742 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.269 -7.551 -0.307 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.007 -9.126 1.383 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.280 -8.453 -0.715 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.017 -10.028 0.974 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.152 -9.691 -0.075 1.00 0.00 C ATOM 0 H PHE A 76 -9.045 -4.493 2.516 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.499 -5.618 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.642 -7.244 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.004 -6.880 0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.366 -6.596 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.673 -9.386 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.614 -8.193 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.920 -10.984 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.387 -10.386 -0.390 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.960 -4.150 -0.546 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.244 -3.285 -1.725 1.00 0.00 C ATOM 1240 C TRP A 77 -7.350 -4.147 -2.986 1.00 0.00 C ATOM 1241 O TRP A 77 -6.939 -5.290 -3.009 1.00 0.00 O ATOM 1242 CB TRP A 77 -6.108 -2.273 -1.903 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.498 -0.964 -1.302 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -6.153 -0.544 -0.063 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.294 0.103 -1.890 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.686 0.716 0.145 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.398 1.157 -0.953 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.927 0.255 -3.135 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.106 2.321 -1.242 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.642 1.426 -3.429 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.729 2.457 -2.484 1.00 0.00 C ATOM 0 H TRP A 77 -5.971 -4.302 -0.348 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.185 -2.759 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.200 -2.645 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.885 -2.145 -2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.559 -1.101 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.568 1.253 1.004 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.863 -0.534 -3.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.173 3.113 -0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.127 1.533 -4.388 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.278 3.357 -2.717 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.893 -3.597 -4.037 1.00 0.00 N ATOM 1263 CA ARG A 78 -8.026 -4.363 -5.307 1.00 0.00 C ATOM 1264 C ARG A 78 -8.183 -3.380 -6.464 1.00 0.00 C ATOM 1265 O ARG A 78 -8.677 -2.283 -6.295 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.256 -5.271 -5.245 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.167 -6.328 -6.348 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.569 -6.845 -6.679 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.074 -7.674 -5.548 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.143 -7.305 -4.895 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.180 -6.853 -5.545 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.173 -7.392 -3.593 1.00 0.00 N ATOM 0 H ARG A 78 -8.253 -2.643 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.138 -4.977 -5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.317 -5.753 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.164 -4.680 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.707 -5.901 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.531 -7.152 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.243 -6.008 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.543 -7.437 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.585 -8.529 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.155 -6.788 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.015 -6.565 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.362 -7.748 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.007 -7.104 -3.082 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.768 -3.759 -7.639 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.899 -2.838 -8.801 1.00 0.00 C ATOM 1288 C ILE A 79 -9.168 -3.180 -9.583 1.00 0.00 C ATOM 1289 O ILE A 79 -9.762 -4.223 -9.396 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.670 -2.973 -9.706 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.755 -4.293 -10.486 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.407 -2.961 -8.845 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.362 -4.706 -10.976 1.00 0.00 C ATOM 0 H ILE A 79 -7.345 -4.664 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.966 -1.810 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.636 -2.141 -10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.172 -5.074 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.429 -4.180 -11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.530 -3.057 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.352 -2.023 -8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.437 -3.794 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.434 -5.643 -11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.961 -3.930 -11.628 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.700 -4.838 -10.120 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.595 -2.306 -10.453 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.831 -2.579 -11.237 1.00 0.00 C ATOM 1307 C ASP A 80 -10.650 -3.864 -12.051 1.00 0.00 C ATOM 1308 O ASP A 80 -9.558 -4.172 -12.484 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.104 -1.407 -12.183 1.00 0.00 C ATOM 1310 CG ASP A 80 -11.391 -0.146 -11.365 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -11.086 -0.148 -10.183 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -11.910 0.800 -11.933 1.00 0.00 O ATOM 0 H ASP A 80 -9.141 -1.415 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.673 -2.700 -10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.245 -1.243 -12.834 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.953 -1.636 -12.827 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.734 -4.576 -12.232 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.738 -5.841 -12.988 1.00 0.00 C ATOM 1319 C PRO A 81 -11.715 -5.564 -14.493 1.00 0.00 C ATOM 1320 O PRO A 81 -10.913 -6.110 -15.222 1.00 0.00 O ATOM 1321 CB PRO A 81 -13.057 -6.501 -12.575 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.978 -5.362 -12.075 1.00 0.00 C ATOM 1323 CD PRO A 81 -13.056 -4.186 -11.701 1.00 0.00 C ATOM 0 HA PRO A 81 -10.870 -6.467 -12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.509 -7.025 -13.417 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.893 -7.240 -11.791 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.687 -5.068 -12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.563 -5.686 -11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.403 -3.252 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.022 -4.034 -10.622 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.595 -4.722 -14.964 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.627 -4.414 -16.422 1.00 0.00 C ATOM 1333 C ALA A 82 -11.530 -3.406 -16.763 1.00 0.00 C ATOM 1334 O ALA A 82 -11.430 -2.940 -17.879 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.990 -3.827 -16.789 1.00 0.00 C ATOM 0 H ALA A 82 -13.293 -4.234 -14.402 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.460 -5.331 -16.987 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.014 -3.602 -17.855 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.772 -4.548 -16.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.157 -2.912 -16.221 1.00 0.00 H new ATOM 1341 N SER A 83 -10.698 -3.071 -15.815 1.00 0.00 N ATOM 1342 CA SER A 83 -9.608 -2.103 -16.098 1.00 0.00 C ATOM 1343 C SER A 83 -8.270 -2.795 -15.865 1.00 0.00 C ATOM 1344 O SER A 83 -7.234 -2.307 -16.263 1.00 0.00 O ATOM 1345 CB SER A 83 -9.726 -0.901 -15.161 1.00 0.00 C ATOM 1346 OG SER A 83 -11.080 -0.752 -14.755 1.00 0.00 O ATOM 0 H SER A 83 -10.728 -3.427 -14.859 1.00 0.00 H new ATOM 0 HA SER A 83 -9.680 -1.758 -17.130 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.086 -1.041 -14.289 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.384 0.003 -15.666 1.00 0.00 H new ATOM 0 HG SER A 83 -11.189 0.102 -14.286 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.286 -3.934 -15.220 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.015 -4.655 -14.951 1.00 0.00 C ATOM 1354 C GLU A 84 -6.315 -4.938 -16.273 1.00 0.00 C ATOM 1355 O GLU A 84 -5.132 -5.195 -16.313 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.315 -5.974 -14.233 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.005 -6.707 -13.941 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.237 -7.744 -12.841 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.935 -7.425 -11.892 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.714 -8.839 -12.966 1.00 0.00 O ATOM 0 H GLU A 84 -9.127 -4.392 -14.870 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.371 -4.043 -14.319 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.850 -5.780 -13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.963 -6.597 -14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.639 -7.195 -14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.239 -5.996 -13.630 1.00 0.00 H new ATOM 1367 N ALA A 85 -7.029 -4.874 -17.358 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.382 -5.116 -18.674 1.00 0.00 C ATOM 1369 C ALA A 85 -5.883 -3.780 -19.222 1.00 0.00 C ATOM 1370 O ALA A 85 -4.951 -3.725 -20.001 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.394 -5.730 -19.643 1.00 0.00 C ATOM 0 H ALA A 85 -8.027 -4.666 -17.392 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.546 -5.806 -18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.915 -5.906 -20.606 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.756 -6.676 -19.240 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.233 -5.047 -19.774 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.495 -2.696 -18.818 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.053 -1.368 -19.312 1.00 0.00 C ATOM 1379 C LYS A 86 -5.016 -0.776 -18.348 1.00 0.00 C ATOM 1380 O LYS A 86 -4.120 -0.065 -18.756 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.266 -0.437 -19.439 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.745 0.019 -18.059 1.00 0.00 C ATOM 1383 CD LYS A 86 -7.657 1.544 -17.974 1.00 0.00 C ATOM 1384 CE LYS A 86 -6.272 1.950 -17.465 1.00 0.00 C ATOM 1385 NZ LYS A 86 -6.179 3.437 -17.423 1.00 0.00 N ATOM 0 H LYS A 86 -7.281 -2.678 -18.168 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.592 -1.477 -20.294 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.003 0.431 -20.043 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.074 -0.953 -19.958 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.771 -0.308 -17.891 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.134 -0.436 -17.280 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.839 1.984 -18.954 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.428 1.926 -17.305 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.101 1.535 -16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.499 1.544 -18.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.375 3.751 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.057 3.850 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.040 3.749 -16.440 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.111 -1.073 -17.076 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.099 -0.524 -16.124 1.00 0.00 C ATOM 1401 C LEU A 87 -2.802 -1.290 -16.299 1.00 0.00 C ATOM 1402 O LEU A 87 -1.747 -0.725 -16.513 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.562 -0.651 -14.663 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.325 -1.958 -14.418 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.580 -2.809 -13.398 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.710 -1.634 -13.854 1.00 0.00 C ATOM 0 H LEU A 87 -5.833 -1.662 -16.661 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.962 0.535 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.696 -0.607 -14.002 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.200 0.195 -14.409 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.413 -2.500 -15.360 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.127 -3.736 -13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.584 -3.040 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.495 -2.261 -12.460 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.257 -2.560 -13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.603 -1.092 -12.915 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.258 -1.019 -14.567 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.882 -2.577 -16.221 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.674 -3.410 -16.390 1.00 0.00 C ATOM 1420 C VAL A 88 -0.851 -2.891 -17.568 1.00 0.00 C ATOM 1421 O VAL A 88 0.356 -3.026 -17.605 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.111 -4.820 -16.705 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.733 -5.469 -15.469 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.132 -4.779 -17.841 1.00 0.00 C ATOM 0 H VAL A 88 -3.743 -3.095 -16.045 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.076 -3.378 -15.480 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.246 -5.411 -17.007 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.044 -6.486 -15.709 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.999 -5.495 -14.663 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.600 -4.890 -15.151 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.455 -5.793 -18.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.994 -4.186 -17.535 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.677 -4.329 -18.723 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.501 -2.314 -18.538 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.768 -1.802 -19.728 1.00 0.00 C ATOM 1436 C GLU A 89 0.341 -0.862 -19.265 1.00 0.00 C ATOM 1437 O GLU A 89 1.480 -0.984 -19.671 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.738 -1.040 -20.634 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.600 -1.547 -22.071 1.00 0.00 C ATOM 1440 CD GLU A 89 -0.873 -0.498 -22.915 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -1.040 0.677 -22.636 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -0.163 -0.889 -23.827 1.00 0.00 O ATOM 0 H GLU A 89 -2.511 -2.174 -18.558 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.336 -2.636 -20.281 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.762 -1.177 -20.286 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.528 0.029 -20.592 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.048 -2.487 -22.085 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.585 -1.750 -22.493 1.00 0.00 H new ATOM 1449 N GLN A 90 0.028 0.061 -18.405 1.00 0.00 N ATOM 1450 CA GLN A 90 1.079 0.986 -17.908 1.00 0.00 C ATOM 1451 C GLN A 90 1.952 0.236 -16.898 1.00 0.00 C ATOM 1452 O GLN A 90 2.996 0.707 -16.497 1.00 0.00 O ATOM 1453 CB GLN A 90 0.424 2.190 -17.226 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.548 2.860 -18.199 1.00 0.00 C ATOM 1455 CD GLN A 90 0.196 3.916 -19.018 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.004 5.100 -18.822 1.00 0.00 O ATOM 1457 NE2 GLN A 90 1.043 3.534 -19.935 1.00 0.00 N ATOM 0 H GLN A 90 -0.906 0.215 -18.025 1.00 0.00 H new ATOM 0 HA GLN A 90 1.689 1.338 -18.740 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.106 1.870 -16.329 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.187 2.901 -16.909 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.988 2.114 -18.861 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.368 3.322 -17.650 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.203 2.540 -20.099 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.544 4.229 -20.488 1.00 0.00 H new ATOM 1466 N ALA A 91 1.527 -0.930 -16.483 1.00 0.00 N ATOM 1467 CA ALA A 91 2.321 -1.716 -15.496 1.00 0.00 C ATOM 1468 C ALA A 91 3.681 -2.087 -16.087 1.00 0.00 C ATOM 1469 O ALA A 91 4.714 -1.673 -15.598 1.00 0.00 O ATOM 1470 CB ALA A 91 1.562 -2.988 -15.129 1.00 0.00 C ATOM 0 H ALA A 91 0.660 -1.372 -16.788 1.00 0.00 H new ATOM 0 HA ALA A 91 2.476 -1.110 -14.603 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.143 -3.563 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.599 -2.724 -14.692 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.402 -3.587 -16.025 1.00 0.00 H new ATOM 1476 N PHE A 92 3.693 -2.867 -17.130 1.00 0.00 N ATOM 1477 CA PHE A 92 4.991 -3.266 -17.745 1.00 0.00 C ATOM 1478 C PHE A 92 5.402 -2.217 -18.778 1.00 0.00 C ATOM 1479 O PHE A 92 5.309 -2.435 -19.970 1.00 0.00 O ATOM 1480 CB PHE A 92 4.846 -4.630 -18.430 1.00 0.00 C ATOM 1481 CG PHE A 92 3.747 -5.425 -17.766 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.739 -5.583 -16.374 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.735 -6.002 -18.541 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.719 -6.318 -15.759 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.714 -6.736 -17.925 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.706 -6.895 -16.534 1.00 0.00 C ATOM 0 H PHE A 92 2.862 -3.246 -17.584 1.00 0.00 H new ATOM 0 HA PHE A 92 5.753 -3.336 -16.968 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.620 -4.493 -19.487 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.787 -5.177 -18.374 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.520 -5.138 -15.775 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.741 -5.881 -19.614 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.713 -6.440 -14.686 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.932 -7.180 -18.523 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.919 -7.462 -16.059 1.00 0.00 H new ATOM 1496 N ARG A 93 5.854 -1.078 -18.330 1.00 0.00 N ATOM 1497 CA ARG A 93 6.268 -0.015 -19.285 1.00 0.00 C ATOM 1498 C ARG A 93 6.753 1.209 -18.507 1.00 0.00 C ATOM 1499 O ARG A 93 6.286 1.493 -17.422 1.00 0.00 O ATOM 1500 CB ARG A 93 5.075 0.377 -20.159 1.00 0.00 C ATOM 1501 CG ARG A 93 5.549 1.290 -21.292 1.00 0.00 C ATOM 1502 CD ARG A 93 5.017 0.763 -22.625 1.00 0.00 C ATOM 1503 NE ARG A 93 5.864 -0.374 -23.082 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.469 -1.128 -24.072 1.00 0.00 C ATOM 1505 NH1 ARG A 93 5.685 -0.754 -25.303 1.00 0.00 N ATOM 1506 NH2 ARG A 93 4.856 -2.254 -23.830 1.00 0.00 N ATOM 0 H ARG A 93 5.954 -0.839 -17.344 1.00 0.00 H new ATOM 0 HA ARG A 93 7.075 -0.388 -19.916 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.603 -0.515 -20.570 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.322 0.887 -19.558 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.198 2.308 -21.125 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.638 1.328 -21.312 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.983 0.438 -22.513 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.023 1.558 -23.371 1.00 0.00 H new ATOM 0 HE ARG A 93 6.754 -0.564 -22.621 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.162 0.127 -25.492 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.376 -1.343 -26.077 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.685 -2.545 -22.867 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.547 -2.843 -24.603 1.00 0.00 H new ATOM 1520 N LYS A 94 7.686 1.938 -19.054 1.00 0.00 N ATOM 1521 CA LYS A 94 8.199 3.143 -18.346 1.00 0.00 C ATOM 1522 C LYS A 94 8.078 4.362 -19.264 1.00 0.00 C ATOM 1523 O LYS A 94 8.284 4.275 -20.458 1.00 0.00 O ATOM 1524 CB LYS A 94 9.666 2.927 -17.969 1.00 0.00 C ATOM 1525 CG LYS A 94 9.765 2.559 -16.488 1.00 0.00 C ATOM 1526 CD LYS A 94 11.136 1.939 -16.204 1.00 0.00 C ATOM 1527 CE LYS A 94 12.137 3.046 -15.867 1.00 0.00 C ATOM 1528 NZ LYS A 94 13.514 2.592 -16.211 1.00 0.00 N ATOM 0 H LYS A 94 8.115 1.751 -19.960 1.00 0.00 H new ATOM 0 HA LYS A 94 7.615 3.311 -17.441 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.096 2.134 -18.581 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.241 3.831 -18.169 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.621 3.447 -15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.975 1.856 -16.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.064 1.235 -15.375 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.479 1.376 -17.072 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.893 3.953 -16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.078 3.294 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.195 3.344 -15.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.745 1.738 -15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.565 2.377 -17.227 1.00 0.00 H new ATOM 1542 N ARG A 95 7.747 5.500 -18.716 1.00 0.00 N ATOM 1543 CA ARG A 95 7.614 6.722 -19.558 1.00 0.00 C ATOM 1544 C ARG A 95 8.214 7.919 -18.815 1.00 0.00 C ATOM 1545 O ARG A 95 7.965 8.122 -17.644 1.00 0.00 O ATOM 1546 CB ARG A 95 6.135 6.989 -19.844 1.00 0.00 C ATOM 1547 CG ARG A 95 5.318 6.773 -18.568 1.00 0.00 C ATOM 1548 CD ARG A 95 3.844 6.581 -18.927 1.00 0.00 C ATOM 1549 NE ARG A 95 3.290 7.859 -19.458 1.00 0.00 N ATOM 1550 CZ ARG A 95 2.212 8.370 -18.931 1.00 0.00 C ATOM 1551 NH1 ARG A 95 1.042 7.869 -19.220 1.00 0.00 N ATOM 1552 NH2 ARG A 95 2.303 9.383 -18.112 1.00 0.00 N ATOM 0 H ARG A 95 7.563 5.636 -17.722 1.00 0.00 H new ATOM 0 HA ARG A 95 8.143 6.574 -20.499 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.002 8.009 -20.204 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.781 6.324 -20.632 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.688 5.900 -18.031 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.432 7.629 -17.902 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.740 5.791 -19.670 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.283 6.267 -18.047 1.00 0.00 H new ATOM 0 HE ARG A 95 3.754 8.333 -20.233 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.970 7.077 -19.859 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.200 8.270 -18.807 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.217 9.774 -17.885 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.460 9.783 -17.700 1.00 0.00 H new ATOM 1566 N ARG A 96 9.006 8.711 -19.486 1.00 0.00 N ATOM 1567 CA ARG A 96 9.622 9.890 -18.813 1.00 0.00 C ATOM 1568 C ARG A 96 8.816 11.149 -19.142 1.00 0.00 C ATOM 1569 O ARG A 96 8.733 12.068 -18.350 1.00 0.00 O ATOM 1570 CB ARG A 96 11.061 10.065 -19.305 1.00 0.00 C ATOM 1571 CG ARG A 96 12.034 9.719 -18.177 1.00 0.00 C ATOM 1572 CD ARG A 96 12.196 8.200 -18.094 1.00 0.00 C ATOM 1573 NE ARG A 96 13.497 7.869 -17.449 1.00 0.00 N ATOM 1574 CZ ARG A 96 13.876 6.624 -17.348 1.00 0.00 C ATOM 1575 NH1 ARG A 96 13.384 5.727 -18.158 1.00 0.00 N ATOM 1576 NH2 ARG A 96 14.746 6.276 -16.439 1.00 0.00 N ATOM 0 H ARG A 96 9.253 8.593 -20.469 1.00 0.00 H new ATOM 0 HA ARG A 96 9.622 9.731 -17.735 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.243 9.421 -20.166 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.221 11.091 -19.635 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.000 10.190 -18.358 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.663 10.109 -17.229 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.375 7.768 -17.522 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.153 7.765 -19.092 1.00 0.00 H new ATOM 0 HE ARG A 96 14.091 8.615 -17.087 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.705 5.999 -18.868 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.679 4.754 -18.081 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.131 6.977 -15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.041 5.303 -16.362 1.00 0.00 H new ATOM 1590 N GLN A 97 8.220 11.200 -20.302 1.00 0.00 N ATOM 1591 CA GLN A 97 7.421 12.400 -20.679 1.00 0.00 C ATOM 1592 C GLN A 97 5.930 12.102 -20.502 1.00 0.00 C ATOM 1593 O GLN A 97 5.521 10.962 -20.424 1.00 0.00 O ATOM 1594 CB GLN A 97 7.697 12.759 -22.140 1.00 0.00 C ATOM 1595 CG GLN A 97 8.135 14.222 -22.233 1.00 0.00 C ATOM 1596 CD GLN A 97 9.649 14.316 -22.039 1.00 0.00 C ATOM 1597 OE1 GLN A 97 10.347 13.326 -22.128 1.00 0.00 O ATOM 1598 NE2 GLN A 97 10.189 15.474 -21.774 1.00 0.00 N ATOM 0 H GLN A 97 8.252 10.462 -21.005 1.00 0.00 H new ATOM 0 HA GLN A 97 7.702 13.236 -20.038 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.473 12.110 -22.545 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.802 12.598 -22.740 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.856 14.635 -23.202 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.623 14.815 -21.475 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.602 16.305 -21.699 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.198 15.548 -21.642 1.00 0.00 H new ATOM 1607 N ARG A 98 5.115 13.120 -20.442 1.00 0.00 N ATOM 1608 CA ARG A 98 3.651 12.895 -20.273 1.00 0.00 C ATOM 1609 C ARG A 98 3.094 12.218 -21.527 1.00 0.00 C ATOM 1610 O ARG A 98 2.359 11.253 -21.450 1.00 0.00 O ATOM 1611 CB ARG A 98 2.949 14.240 -20.064 1.00 0.00 C ATOM 1612 CG ARG A 98 1.435 14.022 -19.980 1.00 0.00 C ATOM 1613 CD ARG A 98 0.850 14.921 -18.890 1.00 0.00 C ATOM 1614 NE ARG A 98 -0.556 15.275 -19.237 1.00 0.00 N ATOM 1615 CZ ARG A 98 -1.122 16.314 -18.685 1.00 0.00 C ATOM 1616 NH1 ARG A 98 -0.580 17.495 -18.808 1.00 0.00 N ATOM 1617 NH2 ARG A 98 -2.230 16.173 -18.009 1.00 0.00 N ATOM 0 H ARG A 98 5.400 14.098 -20.503 1.00 0.00 H new ATOM 0 HA ARG A 98 3.477 12.257 -19.407 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.310 14.712 -19.150 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.184 14.916 -20.886 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.971 14.247 -20.940 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.219 12.977 -19.759 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.880 14.410 -17.928 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.450 15.826 -18.790 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.075 14.706 -19.905 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.286 17.606 -19.335 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.022 18.307 -18.377 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.654 15.251 -17.912 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.671 16.985 -17.578 1.00 0.00 H new ATOM 1631 N GLY A 99 3.439 12.715 -22.682 1.00 0.00 N ATOM 1632 CA GLY A 99 2.934 12.102 -23.942 1.00 0.00 C ATOM 1633 C GLY A 99 3.753 12.624 -25.124 1.00 0.00 C ATOM 1634 O GLY A 99 4.833 13.155 -24.957 1.00 0.00 O ATOM 0 H GLY A 99 4.051 13.522 -22.808 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.007 11.016 -23.886 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.880 12.344 -24.080 1.00 0.00 H new ATOM 1638 N VAL A 100 3.249 12.479 -26.318 1.00 0.00 N ATOM 1639 CA VAL A 100 4.000 12.969 -27.507 1.00 0.00 C ATOM 1640 C VAL A 100 3.242 14.136 -28.142 1.00 0.00 C ATOM 1641 O VAL A 100 2.397 13.950 -28.995 1.00 0.00 O ATOM 1642 CB VAL A 100 4.135 11.836 -28.526 1.00 0.00 C ATOM 1643 CG1 VAL A 100 2.753 11.259 -28.835 1.00 0.00 C ATOM 1644 CG2 VAL A 100 4.757 12.382 -29.813 1.00 0.00 C ATOM 0 H VAL A 100 2.350 12.043 -26.522 1.00 0.00 H new ATOM 0 HA VAL A 100 4.991 13.302 -27.199 1.00 0.00 H new ATOM 0 HB VAL A 100 4.772 11.052 -28.116 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.850 10.452 -29.561 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.307 10.871 -27.919 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.115 12.042 -29.246 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.854 11.576 -30.541 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.119 13.165 -30.222 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.742 12.794 -29.595 1.00 0.00 H new ATOM 1654 N SER A 101 3.536 15.340 -27.732 1.00 0.00 N ATOM 1655 CA SER A 101 2.830 16.516 -28.312 1.00 0.00 C ATOM 1656 C SER A 101 3.855 17.505 -28.870 1.00 0.00 C ATOM 1657 O SER A 101 3.962 17.597 -30.083 1.00 0.00 O ATOM 1658 CB SER A 101 2.001 17.199 -27.225 1.00 0.00 C ATOM 1659 OG SER A 101 0.620 16.970 -27.477 1.00 0.00 O ATOM 1660 OXT SER A 101 4.517 18.153 -28.076 1.00 0.00 O ATOM 0 H SER A 101 4.234 15.559 -27.021 1.00 0.00 H new ATOM 0 HA SER A 101 2.173 16.184 -29.116 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.274 16.809 -26.244 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.208 18.269 -27.211 1.00 0.00 H new ATOM 0 HG SER A 101 0.084 17.405 -26.781 1.00 0.00 H new TER 1666 SER A 101