USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 935 hydrogens (29 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 NoAdj-H: B 6 PTR HN2 : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 6 PTR H : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 10 PTR H : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA HE2 : B 14 GMA OE2 : B 14 GMA CD :(short bond) USER MOD NoAdj-H: B 14 GMA H2 : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA H : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD Set 1.1: A 97 TYR OH : rot -136:sc= 0.754 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.737 K(o=1.5,f=-1.2) USER MOD Set 2.1: A 92 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0.734) USER MOD Set 2.2: A 93 MET CE :methyl -150:sc= -5.85! (180deg=-8.71!) USER MOD Set 3.1: A 13 HIS : no HE2:sc= 0.398! C(o=0.81!,f=-7.7!) USER MOD Set 3.2: A 76 SER OG : rot 101:sc= 0.413 USER MOD Set 4.1: A 54 LYS NZ :NH3+ -134:sc= 1.42! (180deg=-0.665!) USER MOD Set 4.2: A 90 TYR OH : rot -149:sc= 1.16 USER MOD Set 5.1: A 43 ASN : amide:sc= 1.85 K(o=3.1,f=-2.7) USER MOD Set 5.2: A 61 GLN : amide:sc= 1.24 K(o=3.1,f=0.7) USER MOD Set 6.1: A 8 SER OG : rot 169:sc= 0.91! USER MOD Set 6.2: A 82 SER OG : rot 67:sc= 1.82 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 2.09 (180deg=-3.23) USER MOD Single : A 2 SER OG : rot -151:sc= -0.366 USER MOD Single : A 6 HIS : no HE2:sc= 0.0223 X(o=0.022,f=-0.38) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.873!) USER MOD Single : A 12 TYR OH : rot -147:sc= 0.195 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 20 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.22) USER MOD Single : A 23 HIS : no HE2:sc= 0.758 K(o=0.76,f=-6.9!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 175:sc= 0 (180deg=-0.033) USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= 1.59 (180deg=-0.601!) USER MOD Single : A 40 ASN : amide:sc= 0.956 K(o=0.96,f=-8.3!) USER MOD Single : A 44 SER OG : rot -40:sc= -4.78! USER MOD Single : A 45 TYR OH : rot 15:sc= -1.8 USER MOD Single : A 48 SER OG : rot -20:sc= 1.26 USER MOD Single : A 56 LYS NZ :NH3+ -115:sc= 0.818 (180deg=-3.08!) USER MOD Single : A 57 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-8.9!) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.67! USER MOD Single : A 62 GLN : amide:sc= -0.782 K(o=-0.78,f=-5.7!) USER MOD Single : A 65 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1) USER MOD Single : A 66 THR OG1 : rot -24:sc= 0.381 USER MOD Single : A 68 MET CE :methyl 169:sc= -0.19 (180deg=-0.355) USER MOD Single : A 71 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.3) USER MOD Single : A 72 SER OG : rot 48:sc= 1.21 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 52:sc= 0.0503 USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 0.526 (180deg=-0.135) USER MOD Single : A 87 HIS : no HE2:sc= 0.348 K(o=0.35,f=-7.9!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -0.316 (180deg=-9.57!) USER MOD Single : A 103 ASN : amide:sc= 1.14 K(o=1.1,f=-0.16) USER MOD Single : A 104 SER OG : rot 42:sc= 1.19 USER MOD Single : A 105 SER OG : rot 122:sc= 1.19 USER MOD Single : B 3 THR OG1 : rot -80:sc= 0.766 USER MOD Single : B 8 SER OG : rot 39:sc= 0.728 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE B 1 5.432 -9.527 -10.619 1.00 0.00 C HETATM 2 O ACE B 1 6.386 -9.873 -9.950 1.00 0.00 O HETATM 3 CH3 ACE B 1 4.003 -9.779 -10.139 1.00 0.00 C HETATM 0 H1 ACE B 1 3.479 -8.828 -10.041 1.00 0.00 H new HETATM 0 H2 ACE B 1 3.482 -10.407 -10.861 1.00 0.00 H new HETATM 0 H3 ACE B 1 4.027 -10.281 -9.172 1.00 0.00 H new ATOM 7 N ASP B 2 5.586 -8.933 -11.774 1.00 0.00 N ATOM 8 CA ASP B 2 6.961 -8.667 -12.308 1.00 0.00 C ATOM 9 C ASP B 2 7.201 -7.154 -12.506 1.00 0.00 C ATOM 10 O ASP B 2 6.474 -6.324 -11.990 1.00 0.00 O ATOM 11 CB ASP B 2 6.993 -9.411 -13.652 1.00 0.00 C ATOM 12 CG ASP B 2 8.436 -9.747 -14.032 1.00 0.00 C ATOM 13 OD1 ASP B 2 9.073 -8.907 -14.655 1.00 0.00 O ATOM 14 OD2 ASP B 2 8.882 -10.829 -13.695 1.00 0.00 O ATOM 0 H ASP B 2 4.822 -8.620 -12.372 1.00 0.00 H new ATOM 0 HA ASP B 2 7.743 -9.002 -11.626 1.00 0.00 H new ATOM 0 HB2 ASP B 2 6.404 -10.326 -13.584 1.00 0.00 H new ATOM 0 HB3 ASP B 2 6.538 -8.796 -14.428 1.00 0.00 H new ATOM 19 N THR B 3 8.228 -6.810 -13.255 1.00 0.00 N ATOM 20 CA THR B 3 8.575 -5.371 -13.529 1.00 0.00 C ATOM 21 C THR B 3 7.319 -4.539 -13.808 1.00 0.00 C ATOM 22 O THR B 3 6.901 -3.743 -12.986 1.00 0.00 O ATOM 23 CB THR B 3 9.459 -5.411 -14.784 1.00 0.00 C ATOM 24 OG1 THR B 3 8.822 -6.200 -15.788 1.00 0.00 O ATOM 25 CG2 THR B 3 10.823 -6.014 -14.443 1.00 0.00 C ATOM 0 H THR B 3 8.855 -7.482 -13.698 1.00 0.00 H new ATOM 0 HA THR B 3 9.071 -4.912 -12.674 1.00 0.00 H new ATOM 0 HB THR B 3 9.603 -4.396 -15.155 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.966 -7.150 -15.598 1.00 0.00 H new ATOM 0 HG21 THR B 3 11.444 -6.039 -15.338 1.00 0.00 H new ATOM 0 HG22 THR B 3 11.310 -5.405 -13.681 1.00 0.00 H new ATOM 0 HG23 THR B 3 10.689 -7.028 -14.066 1.00 0.00 H new ATOM 33 N GLU B 4 6.712 -4.715 -14.955 1.00 0.00 N ATOM 34 CA GLU B 4 5.479 -3.934 -15.271 1.00 0.00 C ATOM 35 C GLU B 4 4.290 -4.879 -15.474 1.00 0.00 C ATOM 36 O GLU B 4 3.673 -4.905 -16.529 1.00 0.00 O ATOM 37 CB GLU B 4 5.784 -3.141 -16.550 1.00 0.00 C ATOM 38 CG GLU B 4 6.025 -1.665 -16.185 1.00 0.00 C ATOM 39 CD GLU B 4 4.747 -0.837 -16.390 1.00 0.00 C ATOM 40 OE1 GLU B 4 3.670 -1.342 -16.110 1.00 0.00 O ATOM 41 OE2 GLU B 4 4.871 0.300 -16.821 1.00 0.00 O ATOM 0 H GLU B 4 7.016 -5.362 -15.682 1.00 0.00 H new ATOM 0 HA GLU B 4 5.211 -3.261 -14.457 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.662 -3.553 -17.047 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.953 -3.224 -17.250 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.349 -1.591 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.829 -1.260 -16.800 1.00 0.00 H new ATOM 48 N VAL B 5 3.948 -5.636 -14.455 1.00 0.00 N ATOM 49 CA VAL B 5 2.780 -6.572 -14.554 1.00 0.00 C ATOM 50 C VAL B 5 2.555 -7.322 -13.226 1.00 0.00 C ATOM 51 O VAL B 5 3.294 -8.221 -12.870 1.00 0.00 O ATOM 52 CB VAL B 5 3.115 -7.550 -15.696 1.00 0.00 C ATOM 53 CG1 VAL B 5 4.435 -8.270 -15.415 1.00 0.00 C ATOM 54 CG2 VAL B 5 1.998 -8.588 -15.823 1.00 0.00 C ATOM 0 H VAL B 5 4.430 -5.645 -13.556 1.00 0.00 H new ATOM 0 HA VAL B 5 1.856 -6.031 -14.756 1.00 0.00 H new ATOM 0 HB VAL B 5 3.208 -6.984 -16.623 1.00 0.00 H new ATOM 0 HG11 VAL B 5 4.656 -8.957 -16.232 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.238 -7.538 -15.329 1.00 0.00 H new ATOM 0 HG13 VAL B 5 4.353 -8.829 -14.483 1.00 0.00 H new ATOM 0 HG21 VAL B 5 2.235 -9.280 -16.631 1.00 0.00 H new ATOM 0 HG22 VAL B 5 1.906 -9.140 -14.888 1.00 0.00 H new ATOM 0 HG23 VAL B 5 1.056 -8.084 -16.041 1.00 0.00 H new HETATM 64 N PTR B 6 1.523 -6.964 -12.499 1.00 0.00 N HETATM 65 CA PTR B 6 1.223 -7.667 -11.205 1.00 0.00 C HETATM 66 C PTR B 6 -0.125 -8.393 -11.331 1.00 0.00 C HETATM 67 O PTR B 6 -0.648 -8.546 -12.419 1.00 0.00 O HETATM 68 CB PTR B 6 1.120 -6.589 -10.109 1.00 0.00 C HETATM 69 CG PTR B 6 1.966 -5.378 -10.402 1.00 0.00 C HETATM 70 CD1 PTR B 6 3.330 -5.510 -10.690 1.00 0.00 C HETATM 71 CD2 PTR B 6 1.373 -4.113 -10.372 1.00 0.00 C HETATM 72 CE1 PTR B 6 4.097 -4.371 -10.956 1.00 0.00 C HETATM 73 CE2 PTR B 6 2.140 -2.980 -10.634 1.00 0.00 C HETATM 74 CZ PTR B 6 3.498 -3.106 -10.927 1.00 0.00 C HETATM 75 OH PTR B 6 4.238 -1.973 -11.209 1.00 0.00 O HETATM 76 P PTR B 6 4.402 -1.556 -12.712 1.00 0.00 P HETATM 77 O1P PTR B 6 3.717 -0.169 -12.783 1.00 0.00 O HETATM 78 O2P PTR B 6 3.522 -2.562 -13.504 1.00 0.00 O HETATM 79 O3P PTR B 6 5.954 -1.572 -13.049 1.00 0.00 O HETATM 0 HE2 PTR B 6 1.678 -1.993 -10.610 1.00 0.00 H new HETATM 0 HE1 PTR B 6 5.158 -4.468 -11.185 1.00 0.00 H new HETATM 0 HD2 PTR B 6 0.312 -4.013 -10.144 1.00 0.00 H new HETATM 0 HD1 PTR B 6 3.792 -6.497 -10.707 1.00 0.00 H new HETATM 0 HB3 PTR B 6 0.079 -6.283 -10.003 1.00 0.00 H new HETATM 0 HB2 PTR B 6 1.425 -7.017 -9.154 1.00 0.00 H new HETATM 0 HA PTR B 6 2.000 -8.392 -10.963 1.00 0.00 H new ATOM 89 N GLU B 7 -0.710 -8.818 -10.234 1.00 0.00 N ATOM 90 CA GLU B 7 -2.042 -9.512 -10.317 1.00 0.00 C ATOM 91 C GLU B 7 -2.838 -9.354 -9.002 1.00 0.00 C ATOM 92 O GLU B 7 -4.019 -9.071 -9.017 1.00 0.00 O ATOM 93 CB GLU B 7 -1.696 -10.983 -10.585 1.00 0.00 C ATOM 94 CG GLU B 7 -2.979 -11.798 -10.809 1.00 0.00 C ATOM 95 CD GLU B 7 -3.678 -11.353 -12.096 1.00 0.00 C ATOM 96 OE1 GLU B 7 -3.065 -11.437 -13.151 1.00 0.00 O ATOM 97 OE2 GLU B 7 -4.815 -10.930 -12.010 1.00 0.00 O ATOM 0 H GLU B 7 -0.329 -8.717 -9.293 1.00 0.00 H new ATOM 0 HA GLU B 7 -2.677 -9.091 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.051 -11.059 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.139 -11.392 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -2.737 -12.859 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -3.651 -11.670 -9.960 1.00 0.00 H new ATOM 104 N SER B 8 -2.200 -9.535 -7.870 1.00 0.00 N ATOM 105 CA SER B 8 -2.916 -9.392 -6.553 1.00 0.00 C ATOM 106 C SER B 8 -1.923 -8.921 -5.477 1.00 0.00 C ATOM 107 O SER B 8 -0.949 -9.603 -5.213 1.00 0.00 O ATOM 108 CB SER B 8 -3.435 -10.795 -6.227 1.00 0.00 C ATOM 109 OG SER B 8 -2.344 -11.714 -6.204 1.00 0.00 O ATOM 0 H SER B 8 -1.212 -9.776 -7.797 1.00 0.00 H new ATOM 0 HA SER B 8 -3.725 -8.663 -6.592 1.00 0.00 H new ATOM 0 HB2 SER B 8 -3.941 -10.791 -5.262 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.169 -11.104 -6.971 1.00 0.00 H new ATOM 0 HG SER B 8 -1.566 -11.288 -5.787 1.00 0.00 H new ATOM 115 N PRO B 9 -2.173 -7.760 -4.908 1.00 0.00 N ATOM 116 CA PRO B 9 -1.256 -7.199 -3.894 1.00 0.00 C ATOM 117 C PRO B 9 -1.606 -7.673 -2.482 1.00 0.00 C ATOM 118 O PRO B 9 -2.748 -7.938 -2.177 1.00 0.00 O ATOM 119 CB PRO B 9 -1.490 -5.695 -4.015 1.00 0.00 C ATOM 120 CG PRO B 9 -2.877 -5.541 -4.568 1.00 0.00 C ATOM 121 CD PRO B 9 -3.310 -6.869 -5.138 1.00 0.00 C ATOM 0 HA PRO B 9 -0.222 -7.504 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.399 -5.206 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.753 -5.236 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.565 -5.222 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -2.895 -4.772 -5.341 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.209 -7.238 -4.644 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.541 -6.788 -6.200 1.00 0.00 H new HETATM 129 N PTR B 10 -0.611 -7.735 -1.627 1.00 0.00 N HETATM 130 CA PTR B 10 -0.806 -8.142 -0.196 1.00 0.00 C HETATM 131 C PTR B 10 -1.779 -9.326 -0.017 1.00 0.00 C HETATM 132 O PTR B 10 -2.092 -10.048 -0.944 1.00 0.00 O HETATM 133 CB PTR B 10 -1.314 -6.864 0.496 1.00 0.00 C HETATM 134 CG PTR B 10 -0.168 -6.239 1.256 1.00 0.00 C HETATM 135 CD1 PTR B 10 -0.041 -6.458 2.633 1.00 0.00 C HETATM 136 CD2 PTR B 10 0.780 -5.454 0.580 1.00 0.00 C HETATM 137 CE1 PTR B 10 1.032 -5.895 3.335 1.00 0.00 C HETATM 138 CE2 PTR B 10 1.846 -4.893 1.285 1.00 0.00 C HETATM 139 CZ PTR B 10 1.976 -5.114 2.661 1.00 0.00 C HETATM 140 OH PTR B 10 3.032 -4.562 3.356 1.00 0.00 O HETATM 141 P PTR B 10 4.478 -5.110 3.128 1.00 0.00 P HETATM 142 O1P PTR B 10 4.654 -5.161 1.592 1.00 0.00 O HETATM 143 O2P PTR B 10 4.421 -6.573 3.653 1.00 0.00 O HETATM 144 O3P PTR B 10 5.474 -4.145 3.897 1.00 0.00 O HETATM 0 HN2 PTR B 10 0.013 -6.962 -1.857 1.00 0.00 H new HETATM 0 HE2 PTR B 10 2.580 -4.280 0.762 1.00 0.00 H new HETATM 0 HE1 PTR B 10 1.131 -6.066 4.407 1.00 0.00 H new HETATM 0 HD2 PTR B 10 0.684 -5.283 -0.492 1.00 0.00 H new HETATM 0 HD1 PTR B 10 -0.777 -7.066 3.158 1.00 0.00 H new HETATM 0 HB3 PTR B 10 -1.705 -6.164 -0.242 1.00 0.00 H new HETATM 0 HB2 PTR B 10 -2.133 -7.101 1.175 1.00 0.00 H new HETATM 0 HA PTR B 10 0.122 -8.515 0.238 1.00 0.00 H new ATOM 154 N ALA B 11 -2.227 -9.533 1.196 1.00 0.00 N ATOM 155 CA ALA B 11 -3.163 -10.658 1.505 1.00 0.00 C ATOM 156 C ALA B 11 -3.536 -10.602 2.995 1.00 0.00 C ATOM 157 O ALA B 11 -4.556 -10.046 3.365 1.00 0.00 O ATOM 158 CB ALA B 11 -2.388 -11.940 1.173 1.00 0.00 C ATOM 0 H ALA B 11 -1.978 -8.958 2.001 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.090 -10.609 0.934 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -3.016 -12.808 1.376 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -2.108 -11.933 0.120 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -1.489 -11.991 1.787 1.00 0.00 H new ATOM 164 N ASP B 12 -2.702 -11.136 3.847 1.00 0.00 N ATOM 165 CA ASP B 12 -2.982 -11.093 5.312 1.00 0.00 C ATOM 166 C ASP B 12 -2.150 -9.979 5.972 1.00 0.00 C ATOM 167 O ASP B 12 -1.332 -9.349 5.321 1.00 0.00 O ATOM 168 CB ASP B 12 -2.557 -12.477 5.815 1.00 0.00 C ATOM 169 CG ASP B 12 -3.704 -13.470 5.617 1.00 0.00 C ATOM 170 OD1 ASP B 12 -4.110 -13.657 4.481 1.00 0.00 O ATOM 171 OD2 ASP B 12 -4.154 -14.028 6.603 1.00 0.00 O ATOM 0 H ASP B 12 -1.833 -11.603 3.589 1.00 0.00 H new ATOM 0 HA ASP B 12 -4.025 -10.877 5.545 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -1.673 -12.815 5.275 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -2.286 -12.424 6.870 1.00 0.00 H new ATOM 176 N PRO B 13 -2.373 -9.766 7.252 1.00 0.00 N ATOM 177 CA PRO B 13 -1.612 -8.720 7.985 1.00 0.00 C ATOM 178 C PRO B 13 -0.144 -9.145 8.118 1.00 0.00 C ATOM 179 O PRO B 13 0.176 -10.081 8.831 1.00 0.00 O ATOM 180 CB PRO B 13 -2.309 -8.653 9.345 1.00 0.00 C ATOM 181 CG PRO B 13 -2.953 -9.992 9.510 1.00 0.00 C ATOM 182 CD PRO B 13 -3.330 -10.462 8.128 1.00 0.00 C ATOM 0 HA PRO B 13 -1.601 -7.751 7.486 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -1.596 -8.455 10.146 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.048 -7.852 9.372 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -2.269 -10.695 9.985 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -3.833 -9.922 10.149 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.244 -11.545 8.035 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.360 -10.202 7.883 1.00 0.00 H new HETATM 190 N GMA B 14 0.746 -8.475 7.414 1.00 0.00 N HETATM 191 CA GMA B 14 2.211 -8.825 7.458 1.00 0.00 C HETATM 192 C GMA B 14 2.465 -10.179 6.771 1.00 0.00 C HETATM 193 O GMA B 14 3.169 -10.256 5.777 1.00 0.00 O HETATM 194 CB GMA B 14 2.584 -8.885 8.946 1.00 0.00 C HETATM 195 CG GMA B 14 4.094 -8.672 9.113 1.00 0.00 C HETATM 196 CD GMA B 14 4.797 -10.021 9.277 1.00 0.00 C HETATM 197 OE1 GMA B 14 4.712 -10.584 10.353 1.00 0.00 O HETATM 198 OE2 GMA B 14 5.408 -10.469 8.317 1.00 0.00 O HETATM 199 N2 GMA B 14 1.918 -11.258 7.251 1.00 0.00 N HETATM 0 HN2A GMA B 14 1.324 -11.204 8.079 1.00 0.00 H new HETATM 0 HN1 GMA B 14 2.083 -12.158 6.800 1.00 0.00 H new HETATM 0 HG3 GMA B 14 4.494 -8.147 8.245 1.00 0.00 H new HETATM 0 HG2 GMA B 14 4.287 -8.044 9.982 1.00 0.00 H new HETATM 0 HB3 GMA B 14 2.037 -8.121 9.498 1.00 0.00 H new HETATM 0 HB2 GMA B 14 2.295 -9.849 9.364 1.00 0.00 H new HETATM 0 HA GMA B 14 2.816 -8.089 6.929 1.00 0.00 H new TER 208 GMA B 14 ATOM 209 N GLY A 1 -15.926 -0.951 3.291 1.00 0.00 N ATOM 210 CA GLY A 1 -15.444 0.310 3.937 1.00 0.00 C ATOM 211 C GLY A 1 -15.862 0.335 5.411 1.00 0.00 C ATOM 212 O GLY A 1 -17.021 0.513 5.723 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.111 -1.496 2.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.452 -1.518 3.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.550 -0.716 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.359 0.378 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.857 1.175 3.418 1.00 0.00 H new ATOM 218 N SER A 2 -14.931 0.160 6.324 1.00 0.00 N ATOM 219 CA SER A 2 -15.305 0.182 7.780 1.00 0.00 C ATOM 220 C SER A 2 -14.063 0.287 8.694 1.00 0.00 C ATOM 221 O SER A 2 -13.890 1.291 9.359 1.00 0.00 O ATOM 222 CB SER A 2 -16.071 -1.126 8.022 1.00 0.00 C ATOM 223 OG SER A 2 -15.934 -1.515 9.385 1.00 0.00 O ATOM 0 H SER A 2 -13.942 0.005 6.129 1.00 0.00 H new ATOM 0 HA SER A 2 -15.910 1.056 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.124 -0.993 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.687 -1.910 7.369 1.00 0.00 H new ATOM 0 HG SER A 2 -15.993 -2.491 9.454 1.00 0.00 H new ATOM 229 N PRO A 3 -13.235 -0.741 8.716 1.00 0.00 N ATOM 230 CA PRO A 3 -12.028 -0.712 9.588 1.00 0.00 C ATOM 231 C PRO A 3 -10.961 0.249 9.031 1.00 0.00 C ATOM 232 O PRO A 3 -9.911 -0.165 8.577 1.00 0.00 O ATOM 233 CB PRO A 3 -11.536 -2.158 9.570 1.00 0.00 C ATOM 234 CG PRO A 3 -12.059 -2.732 8.291 1.00 0.00 C ATOM 235 CD PRO A 3 -13.334 -2.000 7.959 1.00 0.00 C ATOM 0 HA PRO A 3 -12.243 -0.353 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.448 -2.205 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.908 -2.712 10.432 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.329 -2.614 7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.246 -3.801 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.420 -1.815 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.212 -2.575 8.255 1.00 0.00 H new ATOM 243 N GLY A 4 -11.222 1.533 9.075 1.00 0.00 N ATOM 244 CA GLY A 4 -10.227 2.528 8.556 1.00 0.00 C ATOM 245 C GLY A 4 -10.922 3.514 7.620 1.00 0.00 C ATOM 246 O GLY A 4 -11.983 4.028 7.931 1.00 0.00 O ATOM 0 H GLY A 4 -12.081 1.937 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.767 3.063 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.426 2.013 8.026 1.00 0.00 H new ATOM 250 N ILE A 5 -10.323 3.789 6.482 1.00 0.00 N ATOM 251 CA ILE A 5 -10.924 4.750 5.479 1.00 0.00 C ATOM 252 C ILE A 5 -10.935 6.211 5.990 1.00 0.00 C ATOM 253 O ILE A 5 -10.834 7.136 5.206 1.00 0.00 O ATOM 254 CB ILE A 5 -12.349 4.233 5.211 1.00 0.00 C ATOM 255 CG1 ILE A 5 -12.295 3.079 4.205 1.00 0.00 C ATOM 256 CG2 ILE A 5 -13.225 5.350 4.633 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.740 1.829 4.887 1.00 0.00 C ATOM 0 H ILE A 5 -9.431 3.386 6.196 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.327 4.780 4.567 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.776 3.892 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.292 2.879 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.667 3.352 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.229 4.967 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -13.276 6.176 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.794 5.702 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.703 1.009 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.736 2.033 5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.386 1.552 5.721 1.00 0.00 H new ATOM 269 N HIS A 6 -11.044 6.434 7.279 1.00 0.00 N ATOM 270 CA HIS A 6 -11.046 7.835 7.806 1.00 0.00 C ATOM 271 C HIS A 6 -9.689 8.145 8.452 1.00 0.00 C ATOM 272 O HIS A 6 -9.027 9.107 8.105 1.00 0.00 O ATOM 273 CB HIS A 6 -12.162 7.869 8.855 1.00 0.00 C ATOM 274 CG HIS A 6 -13.496 7.715 8.182 1.00 0.00 C ATOM 275 ND1 HIS A 6 -14.079 6.476 7.979 1.00 0.00 N ATOM 276 CD2 HIS A 6 -14.374 8.634 7.666 1.00 0.00 C ATOM 277 CE1 HIS A 6 -15.261 6.681 7.366 1.00 0.00 C ATOM 278 NE2 HIS A 6 -15.489 7.979 7.151 1.00 0.00 N ATOM 0 H HIS A 6 -11.132 5.706 7.988 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.209 8.575 7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.016 7.069 9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.128 8.809 9.405 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -13.686 5.573 8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.223 9.703 7.660 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.941 5.892 7.083 1.00 0.00 H new ATOM 286 N GLU A 7 -9.269 7.321 9.376 1.00 0.00 N ATOM 287 CA GLU A 7 -7.947 7.537 10.047 1.00 0.00 C ATOM 288 C GLU A 7 -6.838 6.934 9.178 1.00 0.00 C ATOM 289 O GLU A 7 -5.734 7.453 9.113 1.00 0.00 O ATOM 290 CB GLU A 7 -7.997 6.807 11.412 1.00 0.00 C ATOM 291 CG GLU A 7 -9.440 6.659 11.932 1.00 0.00 C ATOM 292 CD GLU A 7 -9.991 5.288 11.533 1.00 0.00 C ATOM 293 OE1 GLU A 7 -10.320 5.118 10.368 1.00 0.00 O ATOM 294 OE2 GLU A 7 -10.064 4.424 12.392 1.00 0.00 O ATOM 0 H GLU A 7 -9.786 6.503 9.698 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.746 8.599 10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.544 5.821 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.403 7.359 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.460 6.769 13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.069 7.449 11.520 1.00 0.00 H new ATOM 301 N SER A 8 -7.126 5.841 8.508 1.00 0.00 N ATOM 302 CA SER A 8 -6.098 5.189 7.639 1.00 0.00 C ATOM 303 C SER A 8 -5.783 6.050 6.406 1.00 0.00 C ATOM 304 O SER A 8 -6.311 7.139 6.239 1.00 0.00 O ATOM 305 CB SER A 8 -6.702 3.849 7.227 1.00 0.00 C ATOM 306 OG SER A 8 -7.543 4.037 6.101 1.00 0.00 O ATOM 0 H SER A 8 -8.032 5.373 8.527 1.00 0.00 H new ATOM 0 HA SER A 8 -5.153 5.062 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.910 3.139 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.272 3.425 8.054 1.00 0.00 H new ATOM 0 HG SER A 8 -7.790 3.165 5.728 1.00 0.00 H new ATOM 312 N LYS A 9 -4.904 5.591 5.556 1.00 0.00 N ATOM 313 CA LYS A 9 -4.534 6.415 4.364 1.00 0.00 C ATOM 314 C LYS A 9 -4.433 5.568 3.080 1.00 0.00 C ATOM 315 O LYS A 9 -5.112 4.569 2.933 1.00 0.00 O ATOM 316 CB LYS A 9 -3.177 7.016 4.753 1.00 0.00 C ATOM 317 CG LYS A 9 -3.338 8.519 4.987 1.00 0.00 C ATOM 318 CD LYS A 9 -3.500 8.782 6.488 1.00 0.00 C ATOM 319 CE LYS A 9 -4.550 9.874 6.716 1.00 0.00 C ATOM 320 NZ LYS A 9 -5.712 9.166 7.326 1.00 0.00 N ATOM 0 H LYS A 9 -4.429 4.691 5.632 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.284 7.171 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.798 6.535 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.447 6.835 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.469 9.054 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.207 8.892 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.800 7.866 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.546 9.087 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.172 10.654 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.828 10.356 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.419 9.863 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.139 8.529 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.390 8.611 8.145 1.00 0.00 H new ATOM 334 N GLU A 10 -3.601 5.991 2.145 1.00 0.00 N ATOM 335 CA GLU A 10 -3.426 5.259 0.844 1.00 0.00 C ATOM 336 C GLU A 10 -4.724 5.279 0.012 1.00 0.00 C ATOM 337 O GLU A 10 -4.927 4.454 -0.860 1.00 0.00 O ATOM 338 CB GLU A 10 -3.020 3.827 1.220 1.00 0.00 C ATOM 339 CG GLU A 10 -1.512 3.779 1.521 1.00 0.00 C ATOM 340 CD GLU A 10 -1.197 4.619 2.764 1.00 0.00 C ATOM 341 OE1 GLU A 10 -1.727 4.313 3.817 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.432 5.559 2.637 1.00 0.00 O ATOM 0 H GLU A 10 -3.027 6.829 2.234 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.668 5.732 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.585 3.495 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.260 3.144 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.197 2.748 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.950 4.155 0.666 1.00 0.00 H new ATOM 349 N TRP A 11 -5.598 6.228 0.264 1.00 0.00 N ATOM 350 CA TRP A 11 -6.874 6.308 -0.527 1.00 0.00 C ATOM 351 C TRP A 11 -6.695 7.170 -1.794 1.00 0.00 C ATOM 352 O TRP A 11 -7.492 7.100 -2.713 1.00 0.00 O ATOM 353 CB TRP A 11 -7.917 6.927 0.425 1.00 0.00 C ATOM 354 CG TRP A 11 -7.591 8.362 0.730 1.00 0.00 C ATOM 355 CD1 TRP A 11 -7.058 8.804 1.893 1.00 0.00 C ATOM 356 CD2 TRP A 11 -7.780 9.544 -0.107 1.00 0.00 C ATOM 357 NE1 TRP A 11 -6.900 10.178 1.820 1.00 0.00 N ATOM 358 CE2 TRP A 11 -7.329 10.679 0.606 1.00 0.00 C ATOM 359 CE3 TRP A 11 -8.289 9.739 -1.404 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -7.382 11.959 0.053 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -8.343 11.025 -1.964 1.00 0.00 C ATOM 362 CH2 TRP A 11 -7.890 12.133 -1.237 1.00 0.00 C ATOM 0 H TRP A 11 -5.485 6.947 0.979 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.187 5.324 -0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.907 6.864 -0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.952 6.354 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.798 8.186 2.740 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.514 10.750 2.571 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.641 8.892 -1.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.032 12.810 0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.736 11.161 -2.961 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.933 13.120 -1.673 1.00 0.00 H new ATOM 373 N TYR A 12 -5.665 7.983 -1.853 1.00 0.00 N ATOM 374 CA TYR A 12 -5.446 8.851 -3.059 1.00 0.00 C ATOM 375 C TYR A 12 -4.915 8.022 -4.252 1.00 0.00 C ATOM 376 O TYR A 12 -3.858 8.291 -4.791 1.00 0.00 O ATOM 377 CB TYR A 12 -4.413 9.895 -2.599 1.00 0.00 C ATOM 378 CG TYR A 12 -4.057 10.826 -3.742 1.00 0.00 C ATOM 379 CD1 TYR A 12 -5.016 11.703 -4.268 1.00 0.00 C ATOM 380 CD2 TYR A 12 -2.764 10.805 -4.278 1.00 0.00 C ATOM 381 CE1 TYR A 12 -4.678 12.557 -5.330 1.00 0.00 C ATOM 382 CE2 TYR A 12 -2.428 11.655 -5.336 1.00 0.00 C ATOM 383 CZ TYR A 12 -3.383 12.531 -5.864 1.00 0.00 C ATOM 384 OH TYR A 12 -3.047 13.368 -6.911 1.00 0.00 O ATOM 0 H TYR A 12 -4.965 8.084 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.368 9.314 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.815 10.470 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.516 9.393 -2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.014 11.722 -3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.024 10.130 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.416 13.234 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.429 11.635 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.391 12.923 -7.488 1.00 0.00 H new ATOM 394 N HIS A 13 -5.642 7.021 -4.683 1.00 0.00 N ATOM 395 CA HIS A 13 -5.163 6.208 -5.845 1.00 0.00 C ATOM 396 C HIS A 13 -5.524 6.916 -7.166 1.00 0.00 C ATOM 397 O HIS A 13 -6.431 6.521 -7.880 1.00 0.00 O ATOM 398 CB HIS A 13 -5.865 4.834 -5.726 1.00 0.00 C ATOM 399 CG HIS A 13 -7.354 4.989 -5.522 1.00 0.00 C ATOM 400 ND1 HIS A 13 -8.168 5.588 -6.465 1.00 0.00 N ATOM 401 CD2 HIS A 13 -8.187 4.612 -4.496 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.429 5.556 -5.998 1.00 0.00 C ATOM 403 NE2 HIS A 13 -9.497 4.970 -4.800 1.00 0.00 N ATOM 0 H HIS A 13 -6.537 6.733 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.080 6.085 -5.841 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.679 4.250 -6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.438 4.277 -4.892 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -7.866 5.983 -7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.873 4.113 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.282 5.955 -6.527 1.00 0.00 H new ATOM 411 N ALA A 14 -4.802 7.957 -7.507 1.00 0.00 N ATOM 412 CA ALA A 14 -5.089 8.692 -8.784 1.00 0.00 C ATOM 413 C ALA A 14 -4.150 9.897 -8.957 1.00 0.00 C ATOM 414 O ALA A 14 -3.604 10.415 -8.005 1.00 0.00 O ATOM 415 CB ALA A 14 -6.539 9.176 -8.654 1.00 0.00 C ATOM 0 H ALA A 14 -4.027 8.330 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.938 8.049 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.822 9.724 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.199 8.318 -8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.628 9.831 -7.787 1.00 0.00 H new ATOM 421 N SER A 15 -3.985 10.348 -10.179 1.00 0.00 N ATOM 422 CA SER A 15 -3.109 11.534 -10.467 1.00 0.00 C ATOM 423 C SER A 15 -1.762 11.456 -9.724 1.00 0.00 C ATOM 424 O SER A 15 -1.456 12.287 -8.884 1.00 0.00 O ATOM 425 CB SER A 15 -3.924 12.746 -10.004 1.00 0.00 C ATOM 426 OG SER A 15 -3.426 13.919 -10.638 1.00 0.00 O ATOM 0 H SER A 15 -4.427 9.939 -11.003 1.00 0.00 H new ATOM 0 HA SER A 15 -2.849 11.587 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.977 12.606 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.860 12.849 -8.921 1.00 0.00 H new ATOM 0 HG SER A 15 -3.947 14.696 -10.345 1.00 0.00 H new ATOM 432 N LEU A 16 -0.951 10.471 -10.045 1.00 0.00 N ATOM 433 CA LEU A 16 0.389 10.338 -9.386 1.00 0.00 C ATOM 434 C LEU A 16 1.352 9.542 -10.293 1.00 0.00 C ATOM 435 O LEU A 16 1.148 9.443 -11.489 1.00 0.00 O ATOM 436 CB LEU A 16 0.120 9.629 -8.040 1.00 0.00 C ATOM 437 CG LEU A 16 0.269 8.100 -8.161 1.00 0.00 C ATOM 438 CD1 LEU A 16 1.434 7.608 -7.277 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.027 7.435 -7.698 1.00 0.00 C ATOM 0 H LEU A 16 -1.162 9.752 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 16 0.872 11.301 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.813 10.004 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.886 9.870 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 16 0.475 7.841 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.530 6.526 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.361 8.084 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.236 7.866 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.930 6.352 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.223 7.704 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.853 7.774 -8.323 1.00 0.00 H new ATOM 451 N THR A 17 2.399 8.998 -9.734 1.00 0.00 N ATOM 452 CA THR A 17 3.391 8.222 -10.543 1.00 0.00 C ATOM 453 C THR A 17 2.950 6.769 -10.779 1.00 0.00 C ATOM 454 O THR A 17 2.017 6.265 -10.184 1.00 0.00 O ATOM 455 CB THR A 17 4.674 8.226 -9.714 1.00 0.00 C ATOM 456 OG1 THR A 17 4.354 8.022 -8.345 1.00 0.00 O ATOM 457 CG2 THR A 17 5.389 9.563 -9.876 1.00 0.00 C ATOM 0 H THR A 17 2.614 9.057 -8.739 1.00 0.00 H new ATOM 0 HA THR A 17 3.507 8.672 -11.529 1.00 0.00 H new ATOM 0 HB THR A 17 5.328 7.425 -10.059 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.177 8.023 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.303 9.561 -9.283 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.638 9.718 -10.926 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.737 10.368 -9.535 1.00 0.00 H new ATOM 465 N ARG A 18 3.658 6.102 -11.651 1.00 0.00 N ATOM 466 CA ARG A 18 3.382 4.669 -11.972 1.00 0.00 C ATOM 467 C ARG A 18 4.397 3.794 -11.202 1.00 0.00 C ATOM 468 O ARG A 18 4.708 4.077 -10.060 1.00 0.00 O ATOM 469 CB ARG A 18 3.549 4.574 -13.493 1.00 0.00 C ATOM 470 CG ARG A 18 2.834 3.327 -14.035 1.00 0.00 C ATOM 471 CD ARG A 18 3.732 2.613 -15.054 1.00 0.00 C ATOM 472 NE ARG A 18 3.657 3.450 -16.291 1.00 0.00 N ATOM 473 CZ ARG A 18 2.970 3.041 -17.315 1.00 0.00 C ATOM 474 NH1 ARG A 18 3.229 1.891 -17.850 1.00 0.00 N ATOM 475 NH2 ARG A 18 2.019 3.781 -17.792 1.00 0.00 N ATOM 0 H ARG A 18 4.440 6.503 -12.170 1.00 0.00 H new ATOM 0 HA ARG A 18 2.390 4.324 -11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.143 5.468 -13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.608 4.532 -13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.591 2.651 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.892 3.612 -14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.757 2.536 -14.691 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.384 1.597 -15.243 1.00 0.00 H new ATOM 0 HE ARG A 18 4.146 4.344 -16.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.972 1.306 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.690 1.570 -18.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.811 4.683 -17.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.479 3.461 -18.596 1.00 0.00 H new ATOM 489 N ALA A 19 4.900 2.736 -11.797 1.00 0.00 N ATOM 490 CA ALA A 19 5.877 1.838 -11.087 1.00 0.00 C ATOM 491 C ALA A 19 6.956 2.631 -10.330 1.00 0.00 C ATOM 492 O ALA A 19 7.494 2.157 -9.341 1.00 0.00 O ATOM 493 CB ALA A 19 6.544 1.046 -12.206 1.00 0.00 C ATOM 0 H ALA A 19 4.675 2.452 -12.751 1.00 0.00 H new ATOM 0 HA ALA A 19 5.368 1.222 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.277 0.361 -11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.789 0.478 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.044 1.732 -12.890 1.00 0.00 H new ATOM 499 N GLN A 20 7.276 3.826 -10.769 1.00 0.00 N ATOM 500 CA GLN A 20 8.306 4.638 -10.046 1.00 0.00 C ATOM 501 C GLN A 20 7.883 4.792 -8.569 1.00 0.00 C ATOM 502 O GLN A 20 8.715 4.850 -7.681 1.00 0.00 O ATOM 503 CB GLN A 20 8.347 5.989 -10.787 1.00 0.00 C ATOM 504 CG GLN A 20 8.089 7.139 -9.810 1.00 0.00 C ATOM 505 CD GLN A 20 8.525 8.470 -10.432 1.00 0.00 C ATOM 506 OE1 GLN A 20 8.094 8.825 -11.508 1.00 0.00 O ATOM 507 NE2 GLN A 20 9.366 9.230 -9.791 1.00 0.00 N ATOM 0 H GLN A 20 6.871 4.272 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 20 9.295 4.179 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.318 6.120 -11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.598 6.000 -11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.030 7.178 -9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.634 6.967 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.731 8.936 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.659 10.120 -10.195 1.00 0.00 H new ATOM 516 N ALA A 21 6.592 4.819 -8.308 1.00 0.00 N ATOM 517 CA ALA A 21 6.102 4.920 -6.896 1.00 0.00 C ATOM 518 C ALA A 21 6.537 3.661 -6.136 1.00 0.00 C ATOM 519 O ALA A 21 7.081 3.734 -5.051 1.00 0.00 O ATOM 520 CB ALA A 21 4.576 4.987 -7.010 1.00 0.00 C ATOM 0 H ALA A 21 5.858 4.775 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 21 6.497 5.785 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.140 5.063 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.293 5.861 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.208 4.086 -7.500 1.00 0.00 H new ATOM 526 N GLU A 22 6.342 2.510 -6.733 1.00 0.00 N ATOM 527 CA GLU A 22 6.783 1.240 -6.078 1.00 0.00 C ATOM 528 C GLU A 22 8.297 1.290 -5.915 1.00 0.00 C ATOM 529 O GLU A 22 8.846 0.880 -4.913 1.00 0.00 O ATOM 530 CB GLU A 22 6.416 0.095 -7.039 1.00 0.00 C ATOM 531 CG GLU A 22 4.975 0.232 -7.541 1.00 0.00 C ATOM 532 CD GLU A 22 4.040 -0.597 -6.673 1.00 0.00 C ATOM 533 OE1 GLU A 22 4.149 -1.811 -6.705 1.00 0.00 O ATOM 534 OE2 GLU A 22 3.217 -0.002 -6.008 1.00 0.00 O ATOM 0 H GLU A 22 5.897 2.396 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 22 6.314 1.099 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.101 0.095 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.537 -0.862 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.672 1.279 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.910 -0.098 -8.578 1.00 0.00 H new ATOM 541 N HIS A 23 8.970 1.802 -6.912 1.00 0.00 N ATOM 542 CA HIS A 23 10.455 1.896 -6.856 1.00 0.00 C ATOM 543 C HIS A 23 10.905 2.857 -5.748 1.00 0.00 C ATOM 544 O HIS A 23 11.789 2.533 -4.978 1.00 0.00 O ATOM 545 CB HIS A 23 10.876 2.424 -8.232 1.00 0.00 C ATOM 546 CG HIS A 23 10.823 1.309 -9.240 1.00 0.00 C ATOM 547 ND1 HIS A 23 9.632 0.875 -9.798 1.00 0.00 N ATOM 548 CD2 HIS A 23 11.805 0.532 -9.803 1.00 0.00 C ATOM 549 CE1 HIS A 23 9.924 -0.122 -10.654 1.00 0.00 C ATOM 550 NE2 HIS A 23 11.235 -0.370 -10.695 1.00 0.00 N ATOM 0 H HIS A 23 8.549 2.161 -7.769 1.00 0.00 H new ATOM 0 HA HIS A 23 10.911 0.932 -6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.216 3.236 -8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.885 2.834 -8.182 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.703 1.244 -9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.860 0.610 -9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.188 -0.656 -11.236 1.00 0.00 H new ATOM 558 N MET A 24 10.319 4.035 -5.651 1.00 0.00 N ATOM 559 CA MET A 24 10.769 4.978 -4.579 1.00 0.00 C ATOM 560 C MET A 24 10.361 4.468 -3.199 1.00 0.00 C ATOM 561 O MET A 24 11.169 4.409 -2.297 1.00 0.00 O ATOM 562 CB MET A 24 10.068 6.312 -4.870 1.00 0.00 C ATOM 563 CG MET A 24 10.206 7.246 -3.654 1.00 0.00 C ATOM 564 SD MET A 24 9.914 8.954 -4.176 1.00 0.00 S ATOM 565 CE MET A 24 10.247 9.740 -2.581 1.00 0.00 C ATOM 0 H MET A 24 9.568 4.373 -6.253 1.00 0.00 H new ATOM 0 HA MET A 24 11.854 5.078 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.506 6.780 -5.752 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.015 6.140 -5.091 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.492 6.963 -2.881 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.201 7.151 -3.219 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.123 10.819 -2.674 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.551 9.358 -1.835 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.268 9.518 -2.272 1.00 0.00 H new ATOM 575 N LEU A 25 9.120 4.098 -3.028 1.00 0.00 N ATOM 576 CA LEU A 25 8.667 3.609 -1.691 1.00 0.00 C ATOM 577 C LEU A 25 9.399 2.325 -1.294 1.00 0.00 C ATOM 578 O LEU A 25 9.698 2.114 -0.142 1.00 0.00 O ATOM 579 CB LEU A 25 7.167 3.391 -1.833 1.00 0.00 C ATOM 580 CG LEU A 25 6.472 4.740 -1.652 1.00 0.00 C ATOM 581 CD1 LEU A 25 6.091 5.304 -3.009 1.00 0.00 C ATOM 582 CD2 LEU A 25 5.235 4.561 -0.789 1.00 0.00 C ATOM 0 H LEU A 25 8.402 4.113 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 25 8.889 4.322 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.934 2.971 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.814 2.678 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 25 7.149 5.438 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.596 6.266 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.989 5.438 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.415 4.614 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.739 5.523 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.552 3.863 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.525 4.169 0.186 1.00 0.00 H new ATOM 594 N MET A 26 9.708 1.474 -2.229 1.00 0.00 N ATOM 595 CA MET A 26 10.447 0.226 -1.876 1.00 0.00 C ATOM 596 C MET A 26 11.929 0.549 -1.571 1.00 0.00 C ATOM 597 O MET A 26 12.514 0.014 -0.646 1.00 0.00 O ATOM 598 CB MET A 26 10.318 -0.655 -3.123 1.00 0.00 C ATOM 599 CG MET A 26 11.020 -1.992 -2.897 1.00 0.00 C ATOM 600 SD MET A 26 12.721 -1.896 -3.510 1.00 0.00 S ATOM 601 CE MET A 26 12.645 -3.328 -4.612 1.00 0.00 C ATOM 0 H MET A 26 9.484 1.584 -3.218 1.00 0.00 H new ATOM 0 HA MET A 26 10.052 -0.264 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.266 -0.822 -3.352 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.755 -0.147 -3.983 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.019 -2.240 -1.836 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.482 -2.788 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.577 -3.406 -5.171 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.498 -4.233 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.814 -3.209 -5.307 1.00 0.00 H new ATOM 611 N ARG A 27 12.535 1.402 -2.370 1.00 0.00 N ATOM 612 CA ARG A 27 13.987 1.757 -2.182 1.00 0.00 C ATOM 613 C ARG A 27 14.242 2.851 -1.115 1.00 0.00 C ATOM 614 O ARG A 27 15.372 3.022 -0.691 1.00 0.00 O ATOM 615 CB ARG A 27 14.452 2.230 -3.571 1.00 0.00 C ATOM 616 CG ARG A 27 14.165 3.731 -3.761 1.00 0.00 C ATOM 617 CD ARG A 27 15.487 4.486 -3.929 1.00 0.00 C ATOM 618 NE ARG A 27 15.978 4.701 -2.535 1.00 0.00 N ATOM 619 CZ ARG A 27 16.024 5.893 -2.025 1.00 0.00 C ATOM 620 NH1 ARG A 27 15.016 6.690 -2.165 1.00 0.00 N ATOM 621 NH2 ARG A 27 17.076 6.279 -1.371 1.00 0.00 N ATOM 0 H ARG A 27 12.082 1.873 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 27 14.538 0.895 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.519 2.042 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.942 1.657 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.533 3.883 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.619 4.119 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.201 3.909 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.339 5.433 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 27 16.280 3.902 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.188 6.381 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.048 7.628 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.867 5.645 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.112 7.216 -0.970 1.00 0.00 H new ATOM 635 N VAL A 28 13.247 3.630 -0.733 1.00 0.00 N ATOM 636 CA VAL A 28 13.477 4.752 0.266 1.00 0.00 C ATOM 637 C VAL A 28 14.428 4.363 1.418 1.00 0.00 C ATOM 638 O VAL A 28 14.653 3.200 1.698 1.00 0.00 O ATOM 639 CB VAL A 28 12.104 5.137 0.832 1.00 0.00 C ATOM 640 CG1 VAL A 28 11.356 5.982 -0.194 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.292 3.888 1.162 1.00 0.00 C ATOM 0 H VAL A 28 12.287 3.543 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 28 13.960 5.583 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 28 12.246 5.709 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.380 6.258 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.928 6.884 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.225 5.408 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.321 4.180 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.148 3.298 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.825 3.292 1.903 1.00 0.00 H new ATOM 651 N PRO A 29 14.959 5.387 2.046 1.00 0.00 N ATOM 652 CA PRO A 29 15.925 5.213 3.178 1.00 0.00 C ATOM 653 C PRO A 29 15.321 4.476 4.387 1.00 0.00 C ATOM 654 O PRO A 29 16.029 3.792 5.106 1.00 0.00 O ATOM 655 CB PRO A 29 16.292 6.654 3.540 1.00 0.00 C ATOM 656 CG PRO A 29 15.139 7.468 3.048 1.00 0.00 C ATOM 657 CD PRO A 29 14.705 6.809 1.775 1.00 0.00 C ATOM 0 HA PRO A 29 16.776 4.595 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.430 6.770 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.224 6.958 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.330 7.485 3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.434 8.503 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.654 6.999 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.276 7.167 0.918 1.00 0.00 H new ATOM 665 N ARG A 30 14.046 4.605 4.640 1.00 0.00 N ATOM 666 CA ARG A 30 13.461 3.896 5.824 1.00 0.00 C ATOM 667 C ARG A 30 12.441 2.846 5.393 1.00 0.00 C ATOM 668 O ARG A 30 11.917 2.888 4.299 1.00 0.00 O ATOM 669 CB ARG A 30 12.779 4.981 6.659 1.00 0.00 C ATOM 670 CG ARG A 30 13.833 5.815 7.389 1.00 0.00 C ATOM 671 CD ARG A 30 14.600 4.958 8.400 1.00 0.00 C ATOM 672 NE ARG A 30 15.952 5.587 8.449 1.00 0.00 N ATOM 673 CZ ARG A 30 17.025 4.865 8.360 1.00 0.00 C ATOM 674 NH1 ARG A 30 17.230 4.123 7.314 1.00 0.00 N ATOM 675 NH2 ARG A 30 17.899 4.895 9.314 1.00 0.00 N ATOM 0 H ARG A 30 13.390 5.160 4.090 1.00 0.00 H new ATOM 0 HA ARG A 30 14.233 3.369 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.177 5.622 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.100 4.525 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.528 6.243 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.353 6.648 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.119 4.967 9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.655 3.917 8.082 1.00 0.00 H new ATOM 0 HE ARG A 30 16.033 6.598 8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.545 4.107 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.076 3.557 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.742 5.485 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.745 4.329 9.249 1.00 0.00 H new ATOM 689 N ASP A 31 12.150 1.918 6.262 1.00 0.00 N ATOM 690 CA ASP A 31 11.150 0.863 5.928 1.00 0.00 C ATOM 691 C ASP A 31 9.734 1.440 6.075 1.00 0.00 C ATOM 692 O ASP A 31 9.529 2.452 6.722 1.00 0.00 O ATOM 693 CB ASP A 31 11.381 -0.286 6.931 1.00 0.00 C ATOM 694 CG ASP A 31 12.857 -0.392 7.327 1.00 0.00 C ATOM 695 OD1 ASP A 31 13.689 -0.560 6.450 1.00 0.00 O ATOM 696 OD2 ASP A 31 13.128 -0.290 8.511 1.00 0.00 O ATOM 0 H ASP A 31 12.562 1.844 7.192 1.00 0.00 H new ATOM 0 HA ASP A 31 11.257 0.506 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.774 -0.121 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.052 -1.227 6.491 1.00 0.00 H new ATOM 701 N GLY A 32 8.763 0.812 5.474 1.00 0.00 N ATOM 702 CA GLY A 32 7.359 1.318 5.561 1.00 0.00 C ATOM 703 C GLY A 32 6.903 1.762 4.177 1.00 0.00 C ATOM 704 O GLY A 32 6.394 0.973 3.414 1.00 0.00 O ATOM 0 H GLY A 32 8.880 -0.037 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.701 0.537 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.302 2.152 6.261 1.00 0.00 H new ATOM 708 N ALA A 33 7.109 3.019 3.857 1.00 0.00 N ATOM 709 CA ALA A 33 6.726 3.570 2.512 1.00 0.00 C ATOM 710 C ALA A 33 5.396 2.996 1.993 1.00 0.00 C ATOM 711 O ALA A 33 5.351 1.939 1.394 1.00 0.00 O ATOM 712 CB ALA A 33 7.878 3.168 1.596 1.00 0.00 C ATOM 0 H ALA A 33 7.535 3.702 4.484 1.00 0.00 H new ATOM 0 HA ALA A 33 6.570 4.648 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.684 3.530 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.806 3.604 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.969 2.082 1.580 1.00 0.00 H new ATOM 718 N PHE A 34 4.320 3.706 2.196 1.00 0.00 N ATOM 719 CA PHE A 34 2.991 3.223 1.703 1.00 0.00 C ATOM 720 C PHE A 34 2.454 4.188 0.640 1.00 0.00 C ATOM 721 O PHE A 34 2.404 5.384 0.857 1.00 0.00 O ATOM 722 CB PHE A 34 2.055 3.218 2.925 1.00 0.00 C ATOM 723 CG PHE A 34 2.835 2.999 4.205 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.140 1.702 4.623 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.252 4.095 4.968 1.00 0.00 C ATOM 726 CE1 PHE A 34 3.861 1.499 5.804 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.974 3.891 6.149 1.00 0.00 C ATOM 728 CZ PHE A 34 4.276 2.594 6.567 1.00 0.00 C ATOM 0 H PHE A 34 4.300 4.602 2.683 1.00 0.00 H new ATOM 0 HA PHE A 34 3.065 2.232 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.518 4.165 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.307 2.433 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.819 0.855 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.017 5.098 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.097 0.496 6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.298 4.737 6.737 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.831 2.437 7.480 1.00 0.00 H new ATOM 738 N LEU A 35 2.048 3.689 -0.502 1.00 0.00 N ATOM 739 CA LEU A 35 1.509 4.600 -1.563 1.00 0.00 C ATOM 740 C LEU A 35 0.880 3.790 -2.696 1.00 0.00 C ATOM 741 O LEU A 35 1.498 2.916 -3.272 1.00 0.00 O ATOM 742 CB LEU A 35 2.719 5.393 -2.078 1.00 0.00 C ATOM 743 CG LEU A 35 2.370 6.116 -3.387 1.00 0.00 C ATOM 744 CD1 LEU A 35 1.411 7.273 -3.099 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.652 6.668 -4.018 1.00 0.00 C ATOM 0 H LEU A 35 2.065 2.699 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 35 0.731 5.257 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.032 6.118 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.560 4.719 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 35 1.894 5.413 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.166 7.783 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.498 6.885 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.885 7.976 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.408 7.182 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.124 7.369 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.338 5.847 -4.227 1.00 0.00 H new ATOM 757 N VAL A 36 -0.339 4.095 -3.032 1.00 0.00 N ATOM 758 CA VAL A 36 -1.017 3.367 -4.144 1.00 0.00 C ATOM 759 C VAL A 36 -0.806 4.137 -5.455 1.00 0.00 C ATOM 760 O VAL A 36 -0.901 5.348 -5.487 1.00 0.00 O ATOM 761 CB VAL A 36 -2.504 3.307 -3.747 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.650 2.490 -2.462 1.00 0.00 C ATOM 763 CG2 VAL A 36 -3.058 4.719 -3.503 1.00 0.00 C ATOM 0 H VAL A 36 -0.900 4.820 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.623 2.363 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.062 2.842 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.701 2.445 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.275 1.480 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.078 2.962 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.110 4.654 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.498 5.196 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.960 5.311 -4.413 1.00 0.00 H new ATOM 773 N ARG A 37 -0.512 3.452 -6.533 1.00 0.00 N ATOM 774 CA ARG A 37 -0.290 4.168 -7.830 1.00 0.00 C ATOM 775 C ARG A 37 -0.825 3.350 -9.011 1.00 0.00 C ATOM 776 O ARG A 37 -1.082 2.163 -8.896 1.00 0.00 O ATOM 777 CB ARG A 37 1.225 4.418 -7.929 1.00 0.00 C ATOM 778 CG ARG A 37 1.919 3.364 -8.799 1.00 0.00 C ATOM 779 CD ARG A 37 1.927 2.008 -8.091 1.00 0.00 C ATOM 780 NE ARG A 37 1.427 1.054 -9.120 1.00 0.00 N ATOM 781 CZ ARG A 37 2.238 0.555 -10.000 1.00 0.00 C ATOM 782 NH1 ARG A 37 3.021 -0.420 -9.681 1.00 0.00 N ATOM 783 NH2 ARG A 37 2.275 1.043 -11.193 1.00 0.00 N ATOM 0 H ARG A 37 -0.417 2.437 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.832 5.113 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.404 5.409 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.661 4.410 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.405 3.278 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.941 3.676 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.929 1.741 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.285 2.015 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 37 0.441 0.792 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.003 -0.800 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.658 -0.811 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.666 1.822 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.913 0.650 -11.885 1.00 0.00 H new ATOM 797 N LYS A 38 -1.023 3.985 -10.140 1.00 0.00 N ATOM 798 CA LYS A 38 -1.578 3.257 -11.313 1.00 0.00 C ATOM 799 C LYS A 38 -0.487 2.503 -12.068 1.00 0.00 C ATOM 800 O LYS A 38 0.698 2.765 -11.940 1.00 0.00 O ATOM 801 CB LYS A 38 -2.217 4.328 -12.206 1.00 0.00 C ATOM 802 CG LYS A 38 -3.560 3.810 -12.746 1.00 0.00 C ATOM 803 CD LYS A 38 -3.372 3.286 -14.176 1.00 0.00 C ATOM 804 CE LYS A 38 -4.712 2.777 -14.725 1.00 0.00 C ATOM 805 NZ LYS A 38 -4.629 1.288 -14.652 1.00 0.00 N ATOM 0 H LYS A 38 -0.824 4.973 -10.296 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.304 2.507 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.371 5.246 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.550 4.573 -13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.940 3.015 -12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.301 4.610 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.985 4.079 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.636 2.482 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.547 3.154 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.870 3.112 -15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.578 0.895 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.246 0.917 -15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.004 1.013 -13.867 1.00 0.00 H new ATOM 819 N ARG A 39 -0.898 1.546 -12.834 1.00 0.00 N ATOM 820 CA ARG A 39 0.050 0.706 -13.612 1.00 0.00 C ATOM 821 C ARG A 39 -0.411 0.611 -15.079 1.00 0.00 C ATOM 822 O ARG A 39 -1.550 0.902 -15.387 1.00 0.00 O ATOM 823 CB ARG A 39 -0.029 -0.646 -12.909 1.00 0.00 C ATOM 824 CG ARG A 39 0.685 -1.696 -13.738 1.00 0.00 C ATOM 825 CD ARG A 39 0.572 -3.054 -13.046 1.00 0.00 C ATOM 826 NE ARG A 39 0.098 -3.994 -14.107 1.00 0.00 N ATOM 827 CZ ARG A 39 0.727 -4.081 -15.249 1.00 0.00 C ATOM 828 NH1 ARG A 39 1.922 -3.584 -15.384 1.00 0.00 N ATOM 829 NH2 ARG A 39 0.162 -4.671 -16.257 1.00 0.00 N ATOM 0 H ARG A 39 -1.880 1.300 -12.960 1.00 0.00 H new ATOM 0 HA ARG A 39 1.066 1.099 -13.645 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.424 -0.579 -11.920 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.071 -0.931 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.248 -1.746 -14.735 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.733 -1.425 -13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.533 -3.370 -12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.129 -3.014 -12.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.724 -4.573 -13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.374 -3.122 -14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.406 -3.656 -16.279 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.773 -5.067 -16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.653 -4.739 -17.149 1.00 0.00 H new ATOM 843 N ASN A 40 0.469 0.223 -15.985 1.00 0.00 N ATOM 844 CA ASN A 40 0.083 0.109 -17.441 1.00 0.00 C ATOM 845 C ASN A 40 -1.322 -0.510 -17.589 1.00 0.00 C ATOM 846 O ASN A 40 -2.125 -0.074 -18.392 1.00 0.00 O ATOM 847 CB ASN A 40 1.139 -0.813 -18.058 1.00 0.00 C ATOM 848 CG ASN A 40 1.477 -0.330 -19.467 1.00 0.00 C ATOM 849 OD1 ASN A 40 1.933 0.785 -19.642 1.00 0.00 O ATOM 850 ND2 ASN A 40 1.279 -1.119 -20.483 1.00 0.00 N ATOM 0 H ASN A 40 1.438 -0.020 -15.779 1.00 0.00 H new ATOM 0 HA ASN A 40 0.047 1.083 -17.929 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.037 -0.820 -17.440 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.767 -1.837 -18.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.506 -0.803 -21.426 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.897 -2.053 -20.336 1.00 0.00 H new ATOM 857 N GLU A 41 -1.593 -1.527 -16.810 1.00 0.00 N ATOM 858 CA GLU A 41 -2.926 -2.231 -16.829 1.00 0.00 C ATOM 859 C GLU A 41 -4.121 -1.243 -16.798 1.00 0.00 C ATOM 860 O GLU A 41 -3.967 -0.083 -16.453 1.00 0.00 O ATOM 861 CB GLU A 41 -2.924 -3.079 -15.533 1.00 0.00 C ATOM 862 CG GLU A 41 -2.455 -2.227 -14.325 1.00 0.00 C ATOM 863 CD GLU A 41 -3.559 -1.280 -13.844 1.00 0.00 C ATOM 864 OE1 GLU A 41 -4.710 -1.556 -14.099 1.00 0.00 O ATOM 865 OE2 GLU A 41 -3.227 -0.273 -13.229 1.00 0.00 O ATOM 0 H GLU A 41 -0.929 -1.914 -16.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.047 -2.815 -17.741 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.925 -3.467 -15.344 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.266 -3.939 -15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.157 -2.885 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.575 -1.649 -14.606 1.00 0.00 H new ATOM 872 N PRO A 42 -5.295 -1.756 -17.119 1.00 0.00 N ATOM 873 CA PRO A 42 -6.535 -0.941 -17.075 1.00 0.00 C ATOM 874 C PRO A 42 -7.133 -0.999 -15.649 1.00 0.00 C ATOM 875 O PRO A 42 -7.074 -0.033 -14.904 1.00 0.00 O ATOM 876 CB PRO A 42 -7.435 -1.626 -18.105 1.00 0.00 C ATOM 877 CG PRO A 42 -6.942 -3.045 -18.206 1.00 0.00 C ATOM 878 CD PRO A 42 -5.573 -3.124 -17.565 1.00 0.00 C ATOM 0 HA PRO A 42 -6.392 0.116 -17.298 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.479 -1.597 -17.792 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.377 -1.123 -19.070 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.634 -3.723 -17.706 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.890 -3.355 -19.250 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.567 -3.823 -16.729 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.822 -3.470 -18.275 1.00 0.00 H new ATOM 886 N ASN A 43 -7.666 -2.140 -15.259 1.00 0.00 N ATOM 887 CA ASN A 43 -8.231 -2.312 -13.877 1.00 0.00 C ATOM 888 C ASN A 43 -7.265 -3.167 -13.056 1.00 0.00 C ATOM 889 O ASN A 43 -7.328 -4.384 -13.092 1.00 0.00 O ATOM 890 CB ASN A 43 -9.526 -3.086 -14.074 1.00 0.00 C ATOM 891 CG ASN A 43 -10.400 -2.939 -12.829 1.00 0.00 C ATOM 892 OD1 ASN A 43 -10.174 -3.599 -11.833 1.00 0.00 O ATOM 893 ND2 ASN A 43 -11.389 -2.096 -12.836 1.00 0.00 N ATOM 0 H ASN A 43 -7.733 -2.969 -15.849 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.387 -1.362 -13.367 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.056 -2.712 -14.950 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.309 -4.138 -14.257 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.974 -1.989 -12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.580 -1.541 -13.670 1.00 0.00 H new ATOM 900 N SER A 44 -6.337 -2.562 -12.372 1.00 0.00 N ATOM 901 CA SER A 44 -5.330 -3.370 -11.617 1.00 0.00 C ATOM 902 C SER A 44 -4.304 -2.437 -10.941 1.00 0.00 C ATOM 903 O SER A 44 -3.116 -2.471 -11.218 1.00 0.00 O ATOM 904 CB SER A 44 -4.738 -4.253 -12.733 1.00 0.00 C ATOM 905 OG SER A 44 -3.341 -4.477 -12.559 1.00 0.00 O ATOM 0 H SER A 44 -6.229 -1.550 -12.300 1.00 0.00 H new ATOM 0 HA SER A 44 -5.722 -3.966 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.258 -5.211 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.911 -3.779 -13.699 1.00 0.00 H new ATOM 0 HG SER A 44 -2.912 -3.649 -12.257 1.00 0.00 H new ATOM 911 N TYR A 45 -4.784 -1.602 -10.056 1.00 0.00 N ATOM 912 CA TYR A 45 -3.909 -0.623 -9.326 1.00 0.00 C ATOM 913 C TYR A 45 -2.909 -1.333 -8.393 1.00 0.00 C ATOM 914 O TYR A 45 -3.249 -2.280 -7.723 1.00 0.00 O ATOM 915 CB TYR A 45 -4.909 0.190 -8.505 1.00 0.00 C ATOM 916 CG TYR A 45 -4.458 1.620 -8.405 1.00 0.00 C ATOM 917 CD1 TYR A 45 -4.551 2.467 -9.514 1.00 0.00 C ATOM 918 CD2 TYR A 45 -3.957 2.100 -7.195 1.00 0.00 C ATOM 919 CE1 TYR A 45 -4.138 3.797 -9.408 1.00 0.00 C ATOM 920 CE2 TYR A 45 -3.545 3.428 -7.089 1.00 0.00 C ATOM 921 CZ TYR A 45 -3.635 4.279 -8.195 1.00 0.00 C ATOM 922 OH TYR A 45 -3.224 5.590 -8.092 1.00 0.00 O ATOM 0 H TYR A 45 -5.770 -1.554 -9.800 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.302 -0.024 -10.004 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.894 0.143 -8.969 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.006 -0.239 -7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.941 2.094 -10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.888 1.443 -6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.207 4.453 -10.263 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.156 3.799 -6.152 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.563 6.100 -8.857 1.00 0.00 H new ATOM 932 N ALA A 46 -1.685 -0.874 -8.327 1.00 0.00 N ATOM 933 CA ALA A 46 -0.684 -1.537 -7.420 1.00 0.00 C ATOM 934 C ALA A 46 -0.379 -0.665 -6.182 1.00 0.00 C ATOM 935 O ALA A 46 -0.521 0.547 -6.206 1.00 0.00 O ATOM 936 CB ALA A 46 0.562 -1.735 -8.283 1.00 0.00 C ATOM 0 H ALA A 46 -1.332 -0.076 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.059 -2.481 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.342 -2.215 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.316 -2.364 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.918 -0.767 -8.635 1.00 0.00 H new ATOM 942 N ILE A 47 0.018 -1.296 -5.097 1.00 0.00 N ATOM 943 CA ILE A 47 0.313 -0.553 -3.821 1.00 0.00 C ATOM 944 C ILE A 47 1.819 -0.560 -3.501 1.00 0.00 C ATOM 945 O ILE A 47 2.408 -1.599 -3.312 1.00 0.00 O ATOM 946 CB ILE A 47 -0.462 -1.343 -2.753 1.00 0.00 C ATOM 947 CG1 ILE A 47 -1.964 -1.134 -2.946 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.077 -0.878 -1.349 1.00 0.00 C ATOM 949 CD1 ILE A 47 -2.726 -2.239 -2.218 1.00 0.00 C ATOM 0 H ILE A 47 0.152 -2.306 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 47 0.024 0.497 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.211 -2.398 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.259 -0.158 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.211 -1.145 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.637 -1.450 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.991 -1.033 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.310 0.181 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.798 -2.092 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.438 -3.208 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.487 -2.206 -1.155 1.00 0.00 H new ATOM 961 N SER A 48 2.437 0.591 -3.414 1.00 0.00 N ATOM 962 CA SER A 48 3.902 0.644 -3.087 1.00 0.00 C ATOM 963 C SER A 48 4.092 0.479 -1.575 1.00 0.00 C ATOM 964 O SER A 48 3.611 1.281 -0.795 1.00 0.00 O ATOM 965 CB SER A 48 4.367 2.030 -3.549 1.00 0.00 C ATOM 966 OG SER A 48 3.970 2.251 -4.906 1.00 0.00 O ATOM 0 H SER A 48 1.993 1.499 -3.555 1.00 0.00 H new ATOM 0 HA SER A 48 4.472 -0.148 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.939 2.799 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.451 2.107 -3.461 1.00 0.00 H new ATOM 0 HG SER A 48 3.784 1.391 -5.337 1.00 0.00 H new ATOM 972 N PHE A 49 4.760 -0.573 -1.159 1.00 0.00 N ATOM 973 CA PHE A 49 4.954 -0.819 0.308 1.00 0.00 C ATOM 974 C PHE A 49 6.389 -1.279 0.628 1.00 0.00 C ATOM 975 O PHE A 49 6.986 -2.043 -0.107 1.00 0.00 O ATOM 976 CB PHE A 49 3.965 -1.943 0.625 1.00 0.00 C ATOM 977 CG PHE A 49 3.308 -1.700 1.962 1.00 0.00 C ATOM 978 CD1 PHE A 49 4.057 -1.780 3.145 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.941 -1.405 2.019 1.00 0.00 C ATOM 980 CE1 PHE A 49 3.437 -1.562 4.381 1.00 0.00 C ATOM 981 CE2 PHE A 49 1.323 -1.188 3.253 1.00 0.00 C ATOM 982 CZ PHE A 49 2.069 -1.267 4.435 1.00 0.00 C ATOM 0 H PHE A 49 5.179 -1.272 -1.772 1.00 0.00 H new ATOM 0 HA PHE A 49 4.792 0.086 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.206 -2.000 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.484 -2.901 0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.111 -2.010 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.363 -1.345 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.013 -1.621 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.268 -0.959 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.590 -1.100 5.388 1.00 0.00 H new ATOM 992 N ARG A 50 6.932 -0.833 1.737 1.00 0.00 N ATOM 993 CA ARG A 50 8.315 -1.254 2.138 1.00 0.00 C ATOM 994 C ARG A 50 8.276 -1.862 3.554 1.00 0.00 C ATOM 995 O ARG A 50 7.751 -1.267 4.470 1.00 0.00 O ATOM 996 CB ARG A 50 9.146 0.040 2.119 1.00 0.00 C ATOM 997 CG ARG A 50 10.637 -0.286 2.292 1.00 0.00 C ATOM 998 CD ARG A 50 11.465 0.976 2.031 1.00 0.00 C ATOM 999 NE ARG A 50 12.889 0.521 1.984 1.00 0.00 N ATOM 1000 CZ ARG A 50 13.607 0.505 3.067 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.429 -0.437 3.935 1.00 0.00 N ATOM 1002 NH2 ARG A 50 14.495 1.425 3.271 1.00 0.00 N ATOM 0 H ARG A 50 6.475 -0.192 2.385 1.00 0.00 H new ATOM 0 HA ARG A 50 8.737 -2.009 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.988 0.569 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.816 0.705 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.825 -0.656 3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.931 -1.077 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.174 1.449 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.315 1.713 2.820 1.00 0.00 H new ATOM 0 HE ARG A 50 13.298 0.222 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.729 -1.160 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.988 -0.457 4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.632 2.164 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.058 1.411 4.122 1.00 0.00 H new ATOM 1016 N ALA A 51 8.813 -3.038 3.748 1.00 0.00 N ATOM 1017 CA ALA A 51 8.784 -3.653 5.116 1.00 0.00 C ATOM 1018 C ALA A 51 10.198 -4.051 5.565 1.00 0.00 C ATOM 1019 O ALA A 51 11.105 -4.167 4.760 1.00 0.00 O ATOM 1020 CB ALA A 51 7.893 -4.886 4.964 1.00 0.00 C ATOM 0 H ALA A 51 9.268 -3.598 3.027 1.00 0.00 H new ATOM 0 HA ALA A 51 8.408 -2.964 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.816 -5.400 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.900 -4.579 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.327 -5.560 4.225 1.00 0.00 H new ATOM 1026 N GLU A 52 10.395 -4.257 6.848 1.00 0.00 N ATOM 1027 CA GLU A 52 11.757 -4.645 7.347 1.00 0.00 C ATOM 1028 C GLU A 52 12.183 -6.001 6.752 1.00 0.00 C ATOM 1029 O GLU A 52 11.717 -7.051 7.150 1.00 0.00 O ATOM 1030 CB GLU A 52 11.643 -4.709 8.884 1.00 0.00 C ATOM 1031 CG GLU A 52 10.595 -5.750 9.319 1.00 0.00 C ATOM 1032 CD GLU A 52 10.341 -5.630 10.821 1.00 0.00 C ATOM 1033 OE1 GLU A 52 11.070 -6.255 11.578 1.00 0.00 O ATOM 1034 OE2 GLU A 52 9.427 -4.910 11.191 1.00 0.00 O ATOM 0 H GLU A 52 9.677 -4.174 7.567 1.00 0.00 H new ATOM 0 HA GLU A 52 12.520 -3.927 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.612 -4.963 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.369 -3.728 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.666 -5.596 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.944 -6.754 9.079 1.00 0.00 H new ATOM 1041 N GLY A 53 13.072 -5.977 5.787 1.00 0.00 N ATOM 1042 CA GLY A 53 13.537 -7.250 5.148 1.00 0.00 C ATOM 1043 C GLY A 53 12.358 -7.952 4.462 1.00 0.00 C ATOM 1044 O GLY A 53 12.195 -9.152 4.570 1.00 0.00 O ATOM 0 H GLY A 53 13.497 -5.128 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.318 -7.037 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.974 -7.906 5.901 1.00 0.00 H new ATOM 1048 N LYS A 54 11.541 -7.211 3.749 1.00 0.00 N ATOM 1049 CA LYS A 54 10.372 -7.823 3.045 1.00 0.00 C ATOM 1050 C LYS A 54 9.731 -6.787 2.113 1.00 0.00 C ATOM 1051 O LYS A 54 9.268 -5.748 2.545 1.00 0.00 O ATOM 1052 CB LYS A 54 9.394 -8.243 4.150 1.00 0.00 C ATOM 1053 CG LYS A 54 8.393 -9.258 3.587 1.00 0.00 C ATOM 1054 CD LYS A 54 7.024 -9.042 4.238 1.00 0.00 C ATOM 1055 CE LYS A 54 6.702 -10.210 5.179 1.00 0.00 C ATOM 1056 NZ LYS A 54 5.534 -9.747 5.988 1.00 0.00 N ATOM 0 H LYS A 54 11.636 -6.203 3.625 1.00 0.00 H new ATOM 0 HA LYS A 54 10.660 -8.676 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.939 -8.680 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.866 -7.370 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.315 -9.146 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.742 -10.273 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.020 -8.104 4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.255 -8.960 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.460 -11.113 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.553 -10.449 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.698 -9.966 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.417 -8.720 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.673 -10.232 5.664 1.00 0.00 H new ATOM 1070 N ILE A 55 9.715 -7.059 0.837 1.00 0.00 N ATOM 1071 CA ILE A 55 9.116 -6.092 -0.136 1.00 0.00 C ATOM 1072 C ILE A 55 8.233 -6.843 -1.145 1.00 0.00 C ATOM 1073 O ILE A 55 8.712 -7.664 -1.905 1.00 0.00 O ATOM 1074 CB ILE A 55 10.320 -5.458 -0.845 1.00 0.00 C ATOM 1075 CG1 ILE A 55 11.102 -4.564 0.128 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.838 -4.614 -2.032 1.00 0.00 C ATOM 1077 CD1 ILE A 55 10.248 -3.364 0.541 1.00 0.00 C ATOM 0 H ILE A 55 10.091 -7.911 0.422 1.00 0.00 H new ATOM 0 HA ILE A 55 8.485 -5.346 0.348 1.00 0.00 H new ATOM 0 HB ILE A 55 10.973 -6.255 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.389 -5.137 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.023 -4.220 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.697 -4.166 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.299 -5.249 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.175 -3.826 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.812 -2.736 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.983 -2.784 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.339 -3.715 1.030 1.00 0.00 H new ATOM 1089 N LYS A 56 6.953 -6.569 -1.163 1.00 0.00 N ATOM 1090 CA LYS A 56 6.056 -7.278 -2.131 1.00 0.00 C ATOM 1091 C LYS A 56 4.747 -6.499 -2.352 1.00 0.00 C ATOM 1092 O LYS A 56 4.017 -6.206 -1.422 1.00 0.00 O ATOM 1093 CB LYS A 56 5.782 -8.653 -1.497 1.00 0.00 C ATOM 1094 CG LYS A 56 5.332 -8.488 -0.036 1.00 0.00 C ATOM 1095 CD LYS A 56 3.865 -8.908 0.101 1.00 0.00 C ATOM 1096 CE LYS A 56 3.079 -7.810 0.830 1.00 0.00 C ATOM 1097 NZ LYS A 56 3.096 -8.197 2.275 1.00 0.00 N ATOM 0 H LYS A 56 6.492 -5.892 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 56 6.518 -7.370 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.012 -9.176 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.682 -9.267 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.957 -9.095 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.455 -7.451 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.434 -9.084 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.795 -9.846 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.539 -6.833 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.058 -7.743 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.128 -8.411 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.695 -9.038 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.478 -7.412 2.840 1.00 0.00 H new ATOM 1111 N HIS A 57 4.448 -6.166 -3.583 1.00 0.00 N ATOM 1112 CA HIS A 57 3.189 -5.415 -3.880 1.00 0.00 C ATOM 1113 C HIS A 57 2.739 -5.683 -5.321 1.00 0.00 C ATOM 1114 O HIS A 57 3.517 -5.656 -6.257 1.00 0.00 O ATOM 1115 CB HIS A 57 3.478 -3.924 -3.640 1.00 0.00 C ATOM 1116 CG HIS A 57 4.945 -3.598 -3.776 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.450 -2.948 -4.886 1.00 0.00 N ATOM 1118 CD2 HIS A 57 6.017 -3.806 -2.943 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.774 -2.786 -4.696 1.00 0.00 C ATOM 1120 NE2 HIS A 57 7.171 -3.292 -3.526 1.00 0.00 N ATOM 0 H HIS A 57 5.023 -6.382 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 57 2.374 -5.739 -3.232 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.907 -3.326 -4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.137 -3.646 -2.643 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.917 -2.646 -5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.971 -4.295 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.433 -2.306 -5.404 1.00 0.00 H new ATOM 1128 N CYS A 58 1.479 -5.975 -5.477 1.00 0.00 N ATOM 1129 CA CYS A 58 0.915 -6.296 -6.819 1.00 0.00 C ATOM 1130 C CYS A 58 -0.286 -5.392 -7.151 1.00 0.00 C ATOM 1131 O CYS A 58 -0.490 -4.360 -6.544 1.00 0.00 O ATOM 1132 CB CYS A 58 0.504 -7.764 -6.722 1.00 0.00 C ATOM 1133 SG CYS A 58 1.815 -8.814 -7.400 1.00 0.00 S ATOM 0 H CYS A 58 0.801 -6.006 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 58 1.634 -6.126 -7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.314 -8.030 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.425 -7.928 -7.268 1.00 0.00 H new ATOM 0 HG CYS A 58 1.460 -10.062 -7.313 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.048 -5.754 -8.153 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.209 -4.904 -8.582 1.00 0.00 C ATOM 1141 C ARG A 59 -3.547 -5.353 -7.974 1.00 0.00 C ATOM 1142 O ARG A 59 -3.927 -6.506 -8.031 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.261 -5.041 -10.101 1.00 0.00 C ATOM 1144 CG ARG A 59 -2.415 -6.513 -10.491 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.825 -6.772 -11.021 1.00 0.00 C ATOM 1146 NE ARG A 59 -3.643 -6.952 -12.488 1.00 0.00 N ATOM 1147 CZ ARG A 59 -3.849 -8.107 -13.035 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -5.056 -8.508 -13.265 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -2.845 -8.862 -13.334 1.00 0.00 N ATOM 0 H ARG A 59 -0.917 -6.607 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.067 -3.878 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.095 -4.462 -10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.352 -4.633 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.679 -6.775 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.221 -7.148 -9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.265 -7.658 -10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.491 -5.937 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.355 -6.161 -13.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.847 -7.914 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.218 -9.418 -13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.894 -8.547 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.002 -9.773 -13.765 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.271 -4.415 -7.431 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.609 -4.697 -6.834 1.00 0.00 C ATOM 1165 C VAL A 60 -6.690 -4.564 -7.919 1.00 0.00 C ATOM 1166 O VAL A 60 -6.502 -3.866 -8.899 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.769 -3.605 -5.756 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -6.145 -2.269 -6.403 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -6.868 -3.991 -4.775 1.00 0.00 C ATOM 0 H VAL A 60 -3.984 -3.438 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.701 -5.701 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.819 -3.507 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.254 -1.508 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.362 -1.969 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.087 -2.378 -6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.971 -3.212 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.811 -4.104 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.610 -4.933 -4.292 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.820 -5.198 -7.757 1.00 0.00 N ATOM 1180 CA GLN A 61 -8.895 -5.056 -8.789 1.00 0.00 C ATOM 1181 C GLN A 61 -9.893 -4.008 -8.298 1.00 0.00 C ATOM 1182 O GLN A 61 -10.591 -4.219 -7.332 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.548 -6.439 -8.906 1.00 0.00 C ATOM 1184 CG GLN A 61 -9.309 -7.005 -10.314 1.00 0.00 C ATOM 1185 CD GLN A 61 -10.645 -7.140 -11.051 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -11.128 -8.233 -11.261 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -11.267 -6.069 -11.458 1.00 0.00 N ATOM 0 H GLN A 61 -8.047 -5.801 -6.966 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.520 -4.733 -9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.132 -7.113 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.618 -6.365 -8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.640 -6.349 -10.871 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.820 -7.977 -10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.865 -5.148 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.156 -6.152 -11.951 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.942 -2.869 -8.927 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.872 -1.803 -8.445 1.00 0.00 C ATOM 1198 C GLN A 62 -12.141 -1.715 -9.299 1.00 0.00 C ATOM 1199 O GLN A 62 -12.094 -1.608 -10.508 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.056 -0.509 -8.532 1.00 0.00 C ATOM 1201 CG GLN A 62 -9.867 -0.111 -9.999 1.00 0.00 C ATOM 1202 CD GLN A 62 -8.403 0.240 -10.253 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -7.543 -0.618 -10.220 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -8.081 1.473 -10.508 1.00 0.00 N ATOM 0 H GLN A 62 -9.385 -2.628 -9.747 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.225 -2.007 -7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.565 0.289 -7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.085 -0.648 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.173 -0.930 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.502 0.742 -10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.803 2.193 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.107 1.720 -10.680 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.279 -1.729 -8.673 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.548 -1.614 -9.448 1.00 0.00 C ATOM 1215 C GLU A 63 -15.335 -0.421 -8.916 1.00 0.00 C ATOM 1216 O GLU A 63 -15.298 -0.141 -7.729 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.290 -2.931 -9.196 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.785 -2.762 -9.491 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.007 -2.674 -11.004 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -16.928 -1.576 -11.533 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -17.250 -3.704 -11.609 1.00 0.00 O ATOM 0 H GLU A 63 -13.390 -1.815 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.394 -1.455 -10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.874 -3.717 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.149 -3.244 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.344 -3.603 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.162 -1.862 -9.006 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.064 0.279 -9.755 1.00 0.00 N ATOM 1229 CA GLY A 64 -16.858 1.423 -9.222 1.00 0.00 C ATOM 1230 C GLY A 64 -17.989 0.810 -8.413 1.00 0.00 C ATOM 1231 O GLY A 64 -19.084 0.620 -8.901 1.00 0.00 O ATOM 0 H GLY A 64 -16.141 0.111 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.240 2.070 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.248 2.038 -10.033 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.685 0.476 -7.183 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.653 -0.183 -6.257 1.00 0.00 C ATOM 1237 C GLN A 65 -17.846 -0.996 -5.239 1.00 0.00 C ATOM 1238 O GLN A 65 -18.165 -1.024 -4.067 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.518 -1.125 -7.119 1.00 0.00 C ATOM 1240 CG GLN A 65 -19.932 -2.363 -6.307 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.080 -3.087 -7.011 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -21.983 -2.466 -7.530 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -21.089 -4.387 -7.050 1.00 0.00 N ATOM 0 H GLN A 65 -16.768 0.641 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.282 0.534 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.406 -0.597 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -18.961 -1.432 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.082 -3.035 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.239 -2.065 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.333 -4.916 -6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.853 -4.878 -7.515 1.00 0.00 H new ATOM 1252 N THR A 66 -16.795 -1.670 -5.684 1.00 0.00 N ATOM 1253 CA THR A 66 -15.978 -2.489 -4.732 1.00 0.00 C ATOM 1254 C THR A 66 -14.590 -2.840 -5.309 1.00 0.00 C ATOM 1255 O THR A 66 -14.471 -3.547 -6.287 1.00 0.00 O ATOM 1256 CB THR A 66 -16.782 -3.785 -4.520 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.070 -3.493 -3.985 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.042 -4.703 -3.545 1.00 0.00 C ATOM 0 H THR A 66 -16.478 -1.683 -6.653 1.00 0.00 H new ATOM 0 HA THR A 66 -15.800 -1.936 -3.810 1.00 0.00 H new ATOM 0 HB THR A 66 -16.894 -4.278 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.043 -2.631 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.616 -5.618 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.061 -4.951 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.920 -4.195 -2.588 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.542 -2.382 -4.676 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.152 -2.715 -5.135 1.00 0.00 C ATOM 1268 C VAL A 67 -11.663 -3.971 -4.385 1.00 0.00 C ATOM 1269 O VAL A 67 -11.987 -4.175 -3.225 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.310 -1.487 -4.762 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.852 -1.698 -5.180 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.862 -0.246 -5.475 1.00 0.00 C ATOM 0 H VAL A 67 -13.586 -1.784 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.090 -2.929 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.358 -1.345 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.265 -0.820 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.450 -2.574 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.801 -1.851 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.262 0.624 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.821 -0.398 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.896 -0.081 -5.171 1.00 0.00 H new ATOM 1282 N MET A 68 -10.920 -4.835 -5.031 1.00 0.00 N ATOM 1283 CA MET A 68 -10.475 -6.079 -4.335 1.00 0.00 C ATOM 1284 C MET A 68 -8.956 -6.317 -4.419 1.00 0.00 C ATOM 1285 O MET A 68 -8.389 -6.494 -5.485 1.00 0.00 O ATOM 1286 CB MET A 68 -11.231 -7.193 -5.070 1.00 0.00 C ATOM 1287 CG MET A 68 -10.745 -8.570 -4.602 1.00 0.00 C ATOM 1288 SD MET A 68 -10.515 -9.647 -6.040 1.00 0.00 S ATOM 1289 CE MET A 68 -12.266 -9.962 -6.375 1.00 0.00 C ATOM 0 H MET A 68 -10.606 -4.735 -5.996 1.00 0.00 H new ATOM 0 HA MET A 68 -10.684 -6.028 -3.266 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.301 -7.097 -4.887 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.082 -7.094 -6.145 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.808 -8.470 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.469 -9.010 -3.916 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.369 -10.451 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.675 -10.607 -5.598 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.810 -9.018 -6.386 1.00 0.00 H new ATOM 1299 N LEU A 69 -8.325 -6.391 -3.268 1.00 0.00 N ATOM 1300 CA LEU A 69 -6.858 -6.698 -3.182 1.00 0.00 C ATOM 1301 C LEU A 69 -6.708 -8.231 -3.273 1.00 0.00 C ATOM 1302 O LEU A 69 -7.684 -8.924 -3.494 1.00 0.00 O ATOM 1303 CB LEU A 69 -6.458 -6.183 -1.790 1.00 0.00 C ATOM 1304 CG LEU A 69 -4.944 -6.253 -1.597 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -4.398 -4.865 -1.293 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.636 -7.191 -0.429 1.00 0.00 C ATOM 0 H LEU A 69 -8.776 -6.248 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.245 -6.249 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.797 -5.154 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.954 -6.776 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.476 -6.627 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.318 -4.921 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.625 -4.195 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.860 -4.484 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.557 -7.248 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.105 -6.809 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.025 -8.185 -0.648 1.00 0.00 H new ATOM 1318 N GLY A 70 -5.534 -8.792 -3.094 1.00 0.00 N ATOM 1319 CA GLY A 70 -5.441 -10.276 -3.172 1.00 0.00 C ATOM 1320 C GLY A 70 -5.757 -10.822 -1.788 1.00 0.00 C ATOM 1321 O GLY A 70 -4.885 -11.082 -0.987 1.00 0.00 O ATOM 0 H GLY A 70 -4.662 -8.299 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.143 -10.667 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.444 -10.583 -3.488 1.00 0.00 H new ATOM 1325 N ASN A 71 -7.029 -10.978 -1.523 1.00 0.00 N ATOM 1326 CA ASN A 71 -7.515 -11.487 -0.201 1.00 0.00 C ATOM 1327 C ASN A 71 -9.048 -11.377 -0.167 1.00 0.00 C ATOM 1328 O ASN A 71 -9.742 -12.335 0.115 1.00 0.00 O ATOM 1329 CB ASN A 71 -6.880 -10.571 0.860 1.00 0.00 C ATOM 1330 CG ASN A 71 -7.371 -10.963 2.255 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -8.329 -10.409 2.749 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -6.751 -11.898 2.920 1.00 0.00 N ATOM 0 H ASN A 71 -7.774 -10.768 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.246 -12.528 -0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.794 -10.647 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.136 -9.532 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.073 -12.160 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.944 -12.367 2.508 1.00 0.00 H new ATOM 1339 N SER A 72 -9.578 -10.214 -0.473 1.00 0.00 N ATOM 1340 CA SER A 72 -11.066 -10.036 -0.483 1.00 0.00 C ATOM 1341 C SER A 72 -11.457 -8.687 -1.114 1.00 0.00 C ATOM 1342 O SER A 72 -10.612 -7.908 -1.521 1.00 0.00 O ATOM 1343 CB SER A 72 -11.499 -10.096 0.984 1.00 0.00 C ATOM 1344 OG SER A 72 -11.953 -11.414 1.284 1.00 0.00 O ATOM 0 H SER A 72 -9.043 -9.380 -0.716 1.00 0.00 H new ATOM 0 HA SER A 72 -11.555 -10.807 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.665 -9.829 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.293 -9.373 1.171 1.00 0.00 H new ATOM 0 HG SER A 72 -11.302 -12.067 0.953 1.00 0.00 H new ATOM 1350 N GLU A 73 -12.735 -8.422 -1.211 1.00 0.00 N ATOM 1351 CA GLU A 73 -13.209 -7.143 -1.831 1.00 0.00 C ATOM 1352 C GLU A 73 -13.507 -6.083 -0.762 1.00 0.00 C ATOM 1353 O GLU A 73 -14.159 -6.355 0.229 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.499 -7.519 -2.562 1.00 0.00 C ATOM 1355 CG GLU A 73 -14.191 -8.472 -3.723 1.00 0.00 C ATOM 1356 CD GLU A 73 -14.220 -9.919 -3.229 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -15.300 -10.401 -2.937 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -13.159 -10.516 -3.149 1.00 0.00 O ATOM 0 H GLU A 73 -13.478 -9.041 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.455 -6.716 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.194 -7.992 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.987 -6.620 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.922 -8.336 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.212 -8.242 -4.144 1.00 0.00 H new ATOM 1365 N PHE A 74 -13.050 -4.873 -0.968 1.00 0.00 N ATOM 1366 CA PHE A 74 -13.316 -3.781 0.025 1.00 0.00 C ATOM 1367 C PHE A 74 -13.694 -2.483 -0.707 1.00 0.00 C ATOM 1368 O PHE A 74 -13.719 -2.432 -1.926 1.00 0.00 O ATOM 1369 CB PHE A 74 -12.000 -3.580 0.790 1.00 0.00 C ATOM 1370 CG PHE A 74 -11.333 -4.897 1.107 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -11.959 -5.832 1.941 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.082 -5.170 0.566 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -11.324 -7.046 2.229 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -9.442 -6.384 0.852 1.00 0.00 C ATOM 1375 CZ PHE A 74 -10.064 -7.322 1.684 1.00 0.00 C ATOM 0 H PHE A 74 -12.503 -4.592 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.138 -4.039 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.325 -2.963 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.196 -3.039 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.930 -5.617 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.602 -4.446 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.805 -7.769 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.470 -6.595 0.431 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.573 -8.258 1.905 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.965 -1.423 0.016 1.00 0.00 N ATOM 1386 CA ASP A 75 -14.305 -0.147 -0.673 1.00 0.00 C ATOM 1387 C ASP A 75 -13.015 0.639 -0.952 1.00 0.00 C ATOM 1388 O ASP A 75 -12.447 1.273 -0.086 1.00 0.00 O ATOM 1389 CB ASP A 75 -15.203 0.621 0.306 1.00 0.00 C ATOM 1390 CG ASP A 75 -16.651 0.151 0.177 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -17.193 0.242 -0.910 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -17.194 -0.282 1.183 1.00 0.00 O ATOM 0 H ASP A 75 -13.965 -1.389 1.035 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.806 -0.308 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.853 0.468 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.141 1.690 0.104 1.00 0.00 H new ATOM 1397 N SER A 76 -12.581 0.602 -2.180 1.00 0.00 N ATOM 1398 CA SER A 76 -11.339 1.327 -2.623 1.00 0.00 C ATOM 1399 C SER A 76 -10.076 0.765 -1.972 1.00 0.00 C ATOM 1400 O SER A 76 -10.113 0.121 -0.939 1.00 0.00 O ATOM 1401 CB SER A 76 -11.530 2.797 -2.237 1.00 0.00 C ATOM 1402 OG SER A 76 -10.284 3.475 -2.380 1.00 0.00 O ATOM 0 H SER A 76 -13.046 0.084 -2.925 1.00 0.00 H new ATOM 0 HA SER A 76 -11.203 1.205 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.286 3.259 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.886 2.874 -1.210 1.00 0.00 H new ATOM 0 HG SER A 76 -10.279 3.977 -3.222 1.00 0.00 H new ATOM 1408 N LEU A 77 -8.947 1.033 -2.581 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.649 0.553 -2.026 1.00 0.00 C ATOM 1410 C LEU A 77 -7.548 0.936 -0.549 1.00 0.00 C ATOM 1411 O LEU A 77 -7.049 0.182 0.266 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.580 1.284 -2.834 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.200 0.444 -4.050 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.389 1.276 -5.318 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -4.738 0.037 -3.926 1.00 0.00 C ATOM 0 H LEU A 77 -8.871 1.568 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.542 -0.530 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.952 2.258 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.701 1.466 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.830 -0.444 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.118 0.679 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.431 1.584 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.752 2.159 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.453 -0.564 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.114 0.930 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.599 -0.546 -3.016 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.035 2.108 -0.206 1.00 0.00 N ATOM 1428 CA VAL A 78 -7.984 2.566 1.209 1.00 0.00 C ATOM 1429 C VAL A 78 -8.612 1.531 2.141 1.00 0.00 C ATOM 1430 O VAL A 78 -8.202 1.414 3.266 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.766 3.887 1.249 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.250 3.641 0.944 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.634 4.512 2.641 1.00 0.00 C ATOM 0 H VAL A 78 -8.467 2.766 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.957 2.700 1.548 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.357 4.561 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.790 4.587 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.349 3.200 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.666 2.960 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.188 5.450 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.037 3.827 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.583 4.704 2.855 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.590 0.776 1.701 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.192 -0.237 2.614 1.00 0.00 C ATOM 1445 C ASP A 79 -9.180 -1.366 2.859 1.00 0.00 C ATOM 1446 O ASP A 79 -8.710 -1.552 3.968 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.457 -0.738 1.921 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.478 -1.227 2.965 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -12.159 -1.244 4.143 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -13.576 -1.574 2.564 1.00 0.00 O ATOM 0 H ASP A 79 -9.990 0.818 0.764 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.444 0.176 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.893 0.062 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.208 -1.549 1.237 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.812 -2.100 1.834 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.793 -3.191 2.035 1.00 0.00 C ATOM 1457 C LEU A 80 -6.554 -2.598 2.729 1.00 0.00 C ATOM 1458 O LEU A 80 -6.066 -3.126 3.729 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.410 -3.789 0.651 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.578 -2.786 -0.515 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.202 -2.374 -1.045 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -8.377 -3.422 -1.660 1.00 0.00 C ATOM 0 H LEU A 80 -9.163 -1.997 0.882 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.203 -3.984 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.375 -4.128 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.027 -4.667 0.458 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.113 -1.913 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.325 -1.668 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.630 -1.904 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.670 -3.256 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.486 -2.702 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.851 -4.304 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.363 -3.712 -1.298 1.00 0.00 H new ATOM 1474 N ILE A 81 -6.068 -1.477 2.248 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.898 -0.845 2.920 1.00 0.00 C ATOM 1476 C ILE A 81 -5.280 -0.540 4.369 1.00 0.00 C ATOM 1477 O ILE A 81 -4.520 -0.802 5.265 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.583 0.442 2.153 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.240 0.112 0.690 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.382 1.121 2.814 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.754 -0.234 0.557 1.00 0.00 C ATOM 0 H ILE A 81 -6.427 -0.982 1.432 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.023 -1.495 2.925 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.450 1.103 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.847 -0.726 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.481 0.963 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.144 2.041 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.622 1.356 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.523 0.451 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.526 -0.465 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.152 0.615 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.525 -1.099 1.180 1.00 0.00 H new ATOM 1493 N SER A 82 -6.472 -0.018 4.601 1.00 0.00 N ATOM 1494 CA SER A 82 -6.921 0.272 6.005 1.00 0.00 C ATOM 1495 C SER A 82 -6.793 -0.991 6.848 1.00 0.00 C ATOM 1496 O SER A 82 -6.277 -0.959 7.950 1.00 0.00 O ATOM 1497 CB SER A 82 -8.391 0.686 5.923 1.00 0.00 C ATOM 1498 OG SER A 82 -8.472 2.022 5.454 1.00 0.00 O ATOM 0 H SER A 82 -7.150 0.218 3.876 1.00 0.00 H new ATOM 0 HA SER A 82 -6.317 1.057 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.933 0.019 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.860 0.603 6.903 1.00 0.00 H new ATOM 0 HG SER A 82 -8.159 2.062 4.526 1.00 0.00 H new ATOM 1504 N TYR A 83 -7.239 -2.113 6.323 1.00 0.00 N ATOM 1505 CA TYR A 83 -7.111 -3.395 7.082 1.00 0.00 C ATOM 1506 C TYR A 83 -5.648 -3.549 7.505 1.00 0.00 C ATOM 1507 O TYR A 83 -5.344 -3.831 8.656 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.502 -4.502 6.094 1.00 0.00 C ATOM 1509 CG TYR A 83 -8.979 -4.807 6.193 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -9.906 -4.047 5.467 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.420 -5.866 6.996 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -11.270 -4.349 5.541 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.786 -6.164 7.073 1.00 0.00 C ATOM 1514 CZ TYR A 83 -11.710 -5.406 6.345 1.00 0.00 C ATOM 1515 OH TYR A 83 -13.055 -5.708 6.414 1.00 0.00 O ATOM 0 H TYR A 83 -7.682 -2.192 5.408 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.738 -3.431 7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.256 -4.193 5.078 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.925 -5.403 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.567 -3.228 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.707 -6.453 7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.983 -3.766 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.127 -6.979 7.694 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.189 -6.470 7.016 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.738 -3.332 6.576 1.00 0.00 N ATOM 1526 CA TYR A 84 -3.277 -3.430 6.914 1.00 0.00 C ATOM 1527 C TYR A 84 -2.846 -2.223 7.774 1.00 0.00 C ATOM 1528 O TYR A 84 -1.974 -2.323 8.613 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.541 -3.418 5.568 1.00 0.00 C ATOM 1530 CG TYR A 84 -2.980 -4.592 4.721 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -2.754 -5.902 5.159 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -3.613 -4.366 3.495 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -3.162 -6.983 4.367 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -4.021 -5.447 2.707 1.00 0.00 C ATOM 1535 CZ TYR A 84 -3.796 -6.753 3.143 1.00 0.00 C ATOM 1536 OH TYR A 84 -4.197 -7.813 2.359 1.00 0.00 O ATOM 0 H TYR A 84 -4.943 -3.093 5.606 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.053 -4.329 7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.745 -2.485 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.465 -3.462 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.266 -6.079 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.787 -3.355 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.987 -7.994 4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.510 -5.271 1.761 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.732 -8.434 2.897 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.466 -1.082 7.576 1.00 0.00 N ATOM 1547 CA GLU A 85 -3.118 0.135 8.377 1.00 0.00 C ATOM 1548 C GLU A 85 -3.492 -0.105 9.833 1.00 0.00 C ATOM 1549 O GLU A 85 -2.778 0.287 10.742 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.952 1.271 7.760 1.00 0.00 C ATOM 1551 CG GLU A 85 -4.195 2.392 8.788 1.00 0.00 C ATOM 1552 CD GLU A 85 -3.464 3.668 8.374 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -3.452 3.972 7.194 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -2.949 4.331 9.262 1.00 0.00 O ATOM 0 H GLU A 85 -4.205 -0.942 6.887 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.055 0.376 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.436 1.676 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.907 0.879 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.264 2.590 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.851 2.072 9.771 1.00 0.00 H new ATOM 1561 N LYS A 86 -4.592 -0.762 10.059 1.00 0.00 N ATOM 1562 CA LYS A 86 -5.010 -1.066 11.451 1.00 0.00 C ATOM 1563 C LYS A 86 -4.166 -2.244 11.962 1.00 0.00 C ATOM 1564 O LYS A 86 -3.816 -2.309 13.126 1.00 0.00 O ATOM 1565 CB LYS A 86 -6.491 -1.426 11.332 1.00 0.00 C ATOM 1566 CG LYS A 86 -7.329 -0.407 12.104 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.826 0.669 11.134 1.00 0.00 C ATOM 1568 CE LYS A 86 -8.101 1.968 11.898 1.00 0.00 C ATOM 1569 NZ LYS A 86 -9.587 2.041 12.021 1.00 0.00 N ATOM 0 H LYS A 86 -5.223 -1.103 9.334 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.868 -0.245 12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.790 -1.438 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.665 -2.428 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.174 -0.901 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.734 0.047 12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.081 0.844 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.734 0.331 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.625 1.957 12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.707 2.831 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.883 3.037 12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.026 1.583 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.888 1.554 12.889 1.00 0.00 H new ATOM 1583 N HIS A 87 -3.805 -3.152 11.080 1.00 0.00 N ATOM 1584 CA HIS A 87 -2.941 -4.310 11.479 1.00 0.00 C ATOM 1585 C HIS A 87 -1.576 -4.174 10.770 1.00 0.00 C ATOM 1586 O HIS A 87 -1.328 -4.821 9.768 1.00 0.00 O ATOM 1587 CB HIS A 87 -3.685 -5.569 11.003 1.00 0.00 C ATOM 1588 CG HIS A 87 -5.109 -5.542 11.488 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -6.109 -4.895 10.784 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -5.714 -6.069 12.601 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -7.254 -5.045 11.474 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -7.070 -5.753 12.592 1.00 0.00 N ATOM 0 H HIS A 87 -4.074 -3.138 10.096 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.758 -4.354 12.553 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.664 -5.623 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.182 -6.461 11.376 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.998 -4.395 9.902 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.214 -6.642 13.368 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.206 -4.642 11.162 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.748 -3.301 11.309 1.00 0.00 N ATOM 1601 CA PRO A 88 0.604 -3.020 10.718 1.00 0.00 C ATOM 1602 C PRO A 88 1.542 -4.240 10.849 1.00 0.00 C ATOM 1603 O PRO A 88 1.542 -5.107 10.001 1.00 0.00 O ATOM 1604 CB PRO A 88 1.101 -1.842 11.561 1.00 0.00 C ATOM 1605 CG PRO A 88 0.373 -1.980 12.861 1.00 0.00 C ATOM 1606 CD PRO A 88 -0.988 -2.500 12.518 1.00 0.00 C ATOM 0 HA PRO A 88 0.571 -2.804 9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.181 -1.884 11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.880 -0.889 11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.895 -2.664 13.530 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.306 -1.021 13.375 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.403 -3.104 13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.693 -1.690 12.331 1.00 0.00 H new ATOM 1614 N LEU A 89 2.343 -4.275 11.905 1.00 0.00 N ATOM 1615 CA LEU A 89 3.321 -5.401 12.181 1.00 0.00 C ATOM 1616 C LEU A 89 4.653 -5.166 11.458 1.00 0.00 C ATOM 1617 O LEU A 89 5.233 -6.062 10.874 1.00 0.00 O ATOM 1618 CB LEU A 89 2.670 -6.732 11.745 1.00 0.00 C ATOM 1619 CG LEU A 89 1.467 -7.093 12.644 1.00 0.00 C ATOM 1620 CD1 LEU A 89 1.583 -6.416 14.012 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.168 -6.645 11.975 1.00 0.00 C ATOM 0 H LEU A 89 2.359 -3.541 12.613 1.00 0.00 H new ATOM 0 HA LEU A 89 3.546 -5.440 13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.341 -6.656 10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.410 -7.531 11.787 1.00 0.00 H new ATOM 0 HG LEU A 89 1.462 -8.174 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.724 -6.686 14.626 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.498 -6.745 14.504 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.610 -5.334 13.881 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.677 -6.902 12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.191 -5.566 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.062 -7.147 11.013 1.00 0.00 H new ATOM 1633 N TYR A 90 5.150 -3.963 11.544 1.00 0.00 N ATOM 1634 CA TYR A 90 6.461 -3.612 10.924 1.00 0.00 C ATOM 1635 C TYR A 90 7.078 -2.464 11.735 1.00 0.00 C ATOM 1636 O TYR A 90 6.479 -1.411 11.885 1.00 0.00 O ATOM 1637 CB TYR A 90 6.146 -3.140 9.505 1.00 0.00 C ATOM 1638 CG TYR A 90 5.890 -4.297 8.566 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.817 -5.340 8.454 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.731 -4.302 7.781 1.00 0.00 C ATOM 1641 CE1 TYR A 90 6.580 -6.390 7.558 1.00 0.00 C ATOM 1642 CE2 TYR A 90 4.499 -5.348 6.882 1.00 0.00 C ATOM 1643 CZ TYR A 90 5.422 -6.392 6.772 1.00 0.00 C ATOM 1644 OH TYR A 90 5.194 -7.419 5.879 1.00 0.00 O ATOM 0 H TYR A 90 4.693 -3.191 12.029 1.00 0.00 H new ATOM 0 HA TYR A 90 7.158 -4.450 10.908 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.272 -2.489 9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.978 -2.545 9.128 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.713 -5.335 9.057 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.016 -3.498 7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.291 -7.198 7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.607 -5.349 6.273 1.00 0.00 H new ATOM 0 HH TYR A 90 4.681 -7.081 5.116 1.00 0.00 H new ATOM 1654 N ARG A 91 8.246 -2.657 12.285 1.00 0.00 N ATOM 1655 CA ARG A 91 8.865 -1.572 13.118 1.00 0.00 C ATOM 1656 C ARG A 91 9.010 -0.251 12.336 1.00 0.00 C ATOM 1657 O ARG A 91 9.792 -0.153 11.404 1.00 0.00 O ATOM 1658 CB ARG A 91 10.233 -2.108 13.565 1.00 0.00 C ATOM 1659 CG ARG A 91 11.066 -2.559 12.361 1.00 0.00 C ATOM 1660 CD ARG A 91 12.076 -3.610 12.825 1.00 0.00 C ATOM 1661 NE ARG A 91 13.023 -3.778 11.685 1.00 0.00 N ATOM 1662 CZ ARG A 91 13.936 -4.698 11.733 1.00 0.00 C ATOM 1663 NH1 ARG A 91 13.592 -5.946 11.748 1.00 0.00 N ATOM 1664 NH2 ARG A 91 15.187 -4.362 11.751 1.00 0.00 N ATOM 0 H ARG A 91 8.799 -3.510 12.198 1.00 0.00 H new ATOM 0 HA ARG A 91 8.231 -1.334 13.972 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.769 -1.334 14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.094 -2.945 14.249 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.418 -2.973 11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.584 -1.707 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.598 -3.284 13.725 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.581 -4.551 13.067 1.00 0.00 H new ATOM 0 HE ARG A 91 12.953 -3.170 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.605 -6.203 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.308 -6.672 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.451 -3.377 11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.908 -5.082 11.789 1.00 0.00 H new ATOM 1678 N LYS A 92 8.258 0.759 12.752 1.00 0.00 N ATOM 1679 CA LYS A 92 8.285 2.137 12.121 1.00 0.00 C ATOM 1680 C LYS A 92 7.320 2.267 10.931 1.00 0.00 C ATOM 1681 O LYS A 92 7.280 3.306 10.295 1.00 0.00 O ATOM 1682 CB LYS A 92 9.738 2.411 11.670 1.00 0.00 C ATOM 1683 CG LYS A 92 9.874 2.236 10.140 1.00 0.00 C ATOM 1684 CD LYS A 92 11.321 2.483 9.696 1.00 0.00 C ATOM 1685 CE LYS A 92 12.304 1.887 10.708 1.00 0.00 C ATOM 1686 NZ LYS A 92 12.092 0.413 10.633 1.00 0.00 N ATOM 0 H LYS A 92 7.604 0.681 13.531 1.00 0.00 H new ATOM 0 HA LYS A 92 7.952 2.870 12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.028 3.423 11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.418 1.730 12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.567 1.230 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.207 2.930 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.487 2.039 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.499 3.554 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.332 2.151 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.111 2.262 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.859 -0.074 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.180 0.171 11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.089 0.113 9.637 1.00 0.00 H new ATOM 1700 N MET A 93 6.543 1.265 10.602 1.00 0.00 N ATOM 1701 CA MET A 93 5.638 1.443 9.428 1.00 0.00 C ATOM 1702 C MET A 93 4.264 0.797 9.645 1.00 0.00 C ATOM 1703 O MET A 93 4.082 -0.398 9.523 1.00 0.00 O ATOM 1704 CB MET A 93 6.389 0.827 8.240 1.00 0.00 C ATOM 1705 CG MET A 93 6.795 -0.608 8.550 1.00 0.00 C ATOM 1706 SD MET A 93 8.313 -1.024 7.657 1.00 0.00 S ATOM 1707 CE MET A 93 9.173 -1.833 9.027 1.00 0.00 C ATOM 0 H MET A 93 6.495 0.363 11.076 1.00 0.00 H new ATOM 0 HA MET A 93 5.415 2.496 9.256 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.757 0.848 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 93 7.275 1.421 8.015 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.949 -0.728 9.622 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.995 -1.291 8.264 1.00 0.00 H new ATOM 0 HE1 MET A 93 10.249 -1.700 8.911 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.852 -1.390 9.970 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.937 -2.897 9.027 1.00 0.00 H new ATOM 1717 N LYS A 94 3.296 1.620 9.947 1.00 0.00 N ATOM 1718 CA LYS A 94 1.896 1.145 10.163 1.00 0.00 C ATOM 1719 C LYS A 94 0.973 1.942 9.207 1.00 0.00 C ATOM 1720 O LYS A 94 0.042 2.614 9.623 1.00 0.00 O ATOM 1721 CB LYS A 94 1.630 1.467 11.645 1.00 0.00 C ATOM 1722 CG LYS A 94 0.159 1.234 12.007 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.378 2.462 12.754 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.857 2.685 12.423 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.941 2.662 10.934 1.00 0.00 N ATOM 0 H LYS A 94 3.419 2.627 10.056 1.00 0.00 H new ATOM 0 HA LYS A 94 1.725 0.088 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.265 0.844 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.898 2.504 11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.426 1.058 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.062 0.344 12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.256 2.324 13.828 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.200 3.344 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.479 1.906 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.209 3.637 12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.604 3.396 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.000 2.845 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.278 1.730 10.620 1.00 0.00 H new ATOM 1739 N LEU A 95 1.277 1.890 7.923 1.00 0.00 N ATOM 1740 CA LEU A 95 0.494 2.646 6.876 1.00 0.00 C ATOM 1741 C LEU A 95 0.244 4.097 7.311 1.00 0.00 C ATOM 1742 O LEU A 95 -0.772 4.687 7.014 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.810 1.864 6.680 1.00 0.00 C ATOM 1744 CG LEU A 95 -0.594 0.859 5.544 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -1.670 -0.214 5.583 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.655 1.578 4.200 1.00 0.00 C ATOM 0 H LEU A 95 2.052 1.343 7.548 1.00 0.00 H new ATOM 0 HA LEU A 95 1.042 2.719 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.086 1.347 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.628 2.542 6.438 1.00 0.00 H new ATOM 0 HG LEU A 95 0.384 0.395 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.507 -0.923 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.626 -0.739 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.650 0.249 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.501 0.859 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.631 2.049 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.123 2.340 4.159 1.00 0.00 H new ATOM 1758 N ARG A 96 1.192 4.679 8.001 1.00 0.00 N ATOM 1759 CA ARG A 96 1.044 6.093 8.452 1.00 0.00 C ATOM 1760 C ARG A 96 2.421 6.666 8.856 1.00 0.00 C ATOM 1761 O ARG A 96 2.601 7.154 9.959 1.00 0.00 O ATOM 1762 CB ARG A 96 0.099 6.030 9.659 1.00 0.00 C ATOM 1763 CG ARG A 96 -1.024 7.058 9.484 1.00 0.00 C ATOM 1764 CD ARG A 96 -1.204 7.849 10.783 1.00 0.00 C ATOM 1765 NE ARG A 96 -0.017 8.755 10.847 1.00 0.00 N ATOM 1766 CZ ARG A 96 0.698 8.823 11.927 1.00 0.00 C ATOM 1767 NH1 ARG A 96 0.255 9.470 12.956 1.00 0.00 N ATOM 1768 NH2 ARG A 96 1.855 8.244 11.973 1.00 0.00 N ATOM 0 H ARG A 96 2.067 4.231 8.272 1.00 0.00 H new ATOM 0 HA ARG A 96 0.651 6.742 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.322 5.029 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.651 6.231 10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.786 7.735 8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.954 6.554 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.135 8.417 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.243 7.186 11.647 1.00 0.00 H new ATOM 0 HE ARG A 96 0.232 9.323 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.656 9.926 12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.817 9.524 13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.203 7.735 11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.418 8.297 12.822 1.00 0.00 H new ATOM 1782 N TYR A 97 3.397 6.602 7.975 1.00 0.00 N ATOM 1783 CA TYR A 97 4.763 7.126 8.297 1.00 0.00 C ATOM 1784 C TYR A 97 5.485 7.468 6.985 1.00 0.00 C ATOM 1785 O TYR A 97 5.206 6.867 5.962 1.00 0.00 O ATOM 1786 CB TYR A 97 5.458 5.971 9.033 1.00 0.00 C ATOM 1787 CG TYR A 97 6.745 6.448 9.668 1.00 0.00 C ATOM 1788 CD1 TYR A 97 6.708 7.239 10.824 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.975 6.091 9.104 1.00 0.00 C ATOM 1790 CE1 TYR A 97 7.903 7.672 11.414 1.00 0.00 C ATOM 1791 CE2 TYR A 97 9.168 6.523 9.696 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.130 7.314 10.851 1.00 0.00 C ATOM 1793 OH TYR A 97 10.303 7.740 11.439 1.00 0.00 O ATOM 0 H TYR A 97 3.302 6.205 7.040 1.00 0.00 H new ATOM 0 HA TYR A 97 4.752 8.031 8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.795 5.568 9.799 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.668 5.161 8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.759 7.515 11.260 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.004 5.482 8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.875 8.283 12.304 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.117 6.246 9.262 1.00 0.00 H new ATOM 0 HH TYR A 97 10.919 8.059 10.747 1.00 0.00 H new ATOM 1803 N PRO A 98 6.370 8.433 7.040 1.00 0.00 N ATOM 1804 CA PRO A 98 7.094 8.849 5.821 1.00 0.00 C ATOM 1805 C PRO A 98 8.390 8.046 5.681 1.00 0.00 C ATOM 1806 O PRO A 98 8.588 7.031 6.326 1.00 0.00 O ATOM 1807 CB PRO A 98 7.444 10.302 6.113 1.00 0.00 C ATOM 1808 CG PRO A 98 7.545 10.383 7.605 1.00 0.00 C ATOM 1809 CD PRO A 98 6.770 9.228 8.201 1.00 0.00 C ATOM 0 HA PRO A 98 6.516 8.703 4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.383 10.585 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.678 10.977 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.588 10.340 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.144 11.332 7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.385 8.648 8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.904 9.577 8.764 1.00 0.00 H new ATOM 1817 N ILE A 99 9.286 8.515 4.862 1.00 0.00 N ATOM 1818 CA ILE A 99 10.580 7.814 4.698 1.00 0.00 C ATOM 1819 C ILE A 99 11.722 8.740 5.157 1.00 0.00 C ATOM 1820 O ILE A 99 12.057 9.712 4.514 1.00 0.00 O ATOM 1821 CB ILE A 99 10.657 7.408 3.211 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.156 8.513 2.249 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.771 6.172 3.011 1.00 0.00 C ATOM 1824 CD1 ILE A 99 11.231 9.585 2.052 1.00 0.00 C ATOM 0 H ILE A 99 9.174 9.358 4.298 1.00 0.00 H new ATOM 0 HA ILE A 99 10.671 6.917 5.311 1.00 0.00 H new ATOM 0 HB ILE A 99 11.705 7.220 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.893 8.073 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.250 8.968 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.807 5.863 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.132 5.360 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.743 6.413 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.859 10.352 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.474 10.038 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.126 9.129 1.629 1.00 0.00 H new ATOM 1836 N ASN A 100 12.295 8.468 6.304 1.00 0.00 N ATOM 1837 CA ASN A 100 13.378 9.365 6.832 1.00 0.00 C ATOM 1838 C ASN A 100 14.704 9.130 6.113 1.00 0.00 C ATOM 1839 O ASN A 100 15.263 8.049 6.138 1.00 0.00 O ATOM 1840 CB ASN A 100 13.522 9.031 8.322 1.00 0.00 C ATOM 1841 CG ASN A 100 12.149 8.992 8.990 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.785 8.002 9.591 1.00 0.00 O ATOM 1843 ND2 ASN A 100 11.363 10.027 8.917 1.00 0.00 N ATOM 0 H ASN A 100 12.064 7.670 6.896 1.00 0.00 H new ATOM 0 HA ASN A 100 13.117 10.411 6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.019 8.068 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.151 9.776 8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.446 10.004 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.664 10.861 8.413 1.00 0.00 H new ATOM 1850 N GLU A 101 15.209 10.152 5.482 1.00 0.00 N ATOM 1851 CA GLU A 101 16.500 10.039 4.752 1.00 0.00 C ATOM 1852 C GLU A 101 17.659 9.701 5.699 1.00 0.00 C ATOM 1853 O GLU A 101 18.012 10.469 6.573 1.00 0.00 O ATOM 1854 CB GLU A 101 16.704 11.418 4.126 1.00 0.00 C ATOM 1855 CG GLU A 101 15.796 11.551 2.902 1.00 0.00 C ATOM 1856 CD GLU A 101 15.017 12.865 2.955 1.00 0.00 C ATOM 1857 OE1 GLU A 101 14.310 13.077 3.927 1.00 0.00 O ATOM 1858 OE2 GLU A 101 15.132 13.630 2.009 1.00 0.00 O ATOM 0 H GLU A 101 14.775 11.074 5.441 1.00 0.00 H new ATOM 0 HA GLU A 101 16.478 9.237 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.474 12.198 4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.747 11.549 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.394 11.512 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 101 15.102 10.711 2.863 1.00 0.00 H new ATOM 1865 N GLU A 102 18.268 8.564 5.499 1.00 0.00 N ATOM 1866 CA GLU A 102 19.433 8.161 6.337 1.00 0.00 C ATOM 1867 C GLU A 102 20.666 8.118 5.431 1.00 0.00 C ATOM 1868 O GLU A 102 21.469 9.028 5.426 1.00 0.00 O ATOM 1869 CB GLU A 102 19.080 6.772 6.882 1.00 0.00 C ATOM 1870 CG GLU A 102 20.305 6.154 7.570 1.00 0.00 C ATOM 1871 CD GLU A 102 20.287 4.637 7.387 1.00 0.00 C ATOM 1872 OE1 GLU A 102 20.499 4.190 6.273 1.00 0.00 O ATOM 1873 OE2 GLU A 102 20.040 3.947 8.364 1.00 0.00 O ATOM 0 H GLU A 102 18.004 7.889 4.781 1.00 0.00 H new ATOM 0 HA GLU A 102 19.645 8.844 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.255 6.848 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.745 6.127 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.220 6.570 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.302 6.402 8.631 1.00 0.00 H new ATOM 1880 N ASN A 103 20.801 7.085 4.636 1.00 0.00 N ATOM 1881 CA ASN A 103 21.965 7.004 3.699 1.00 0.00 C ATOM 1882 C ASN A 103 21.777 8.011 2.550 1.00 0.00 C ATOM 1883 O ASN A 103 22.715 8.657 2.116 1.00 0.00 O ATOM 1884 CB ASN A 103 21.950 5.568 3.164 1.00 0.00 C ATOM 1885 CG ASN A 103 23.057 4.759 3.835 1.00 0.00 C ATOM 1886 OD1 ASN A 103 24.189 4.782 3.404 1.00 0.00 O ATOM 1887 ND2 ASN A 103 22.778 4.041 4.881 1.00 0.00 N ATOM 0 H ASN A 103 20.157 6.295 4.595 1.00 0.00 H new ATOM 0 HA ASN A 103 22.910 7.242 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 103 20.981 5.107 3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 103 22.092 5.570 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 103 23.511 3.498 5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.826 4.020 5.246 1.00 0.00 H new ATOM 1894 N SER A 104 20.566 8.145 2.055 1.00 0.00 N ATOM 1895 CA SER A 104 20.290 9.108 0.937 1.00 0.00 C ATOM 1896 C SER A 104 18.788 9.128 0.613 1.00 0.00 C ATOM 1897 O SER A 104 18.142 8.094 0.582 1.00 0.00 O ATOM 1898 CB SER A 104 21.091 8.587 -0.261 1.00 0.00 C ATOM 1899 OG SER A 104 22.368 9.215 -0.276 1.00 0.00 O ATOM 0 H SER A 104 19.751 7.624 2.380 1.00 0.00 H new ATOM 0 HA SER A 104 20.575 10.127 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.205 7.505 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.558 8.796 -1.189 1.00 0.00 H new ATOM 0 HG SER A 104 22.721 9.260 0.637 1.00 0.00 H new ATOM 1905 N SER A 105 18.233 10.298 0.385 1.00 0.00 N ATOM 1906 CA SER A 105 16.765 10.415 0.069 1.00 0.00 C ATOM 1907 C SER A 105 16.335 9.407 -1.004 1.00 0.00 C ATOM 1908 O SER A 105 15.315 8.768 -0.804 1.00 0.00 O ATOM 1909 CB SER A 105 16.576 11.849 -0.439 1.00 0.00 C ATOM 1910 OG SER A 105 15.232 12.262 -0.205 1.00 0.00 O ATOM 1911 OXT SER A 105 17.027 9.276 -1.999 1.00 0.00 O ATOM 0 H SER A 105 18.736 11.185 0.404 1.00 0.00 H new ATOM 0 HA SER A 105 16.155 10.201 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.268 12.521 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.804 11.902 -1.504 1.00 0.00 H new ATOM 0 HG SER A 105 15.230 13.066 0.356 1.00 0.00 H new TER 1917 SER A 105