USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot 105:sc= 2.02 USER MOD Set 1.2: A 99 ASN :FLIP amide:sc= -0.886 F(o=-1.1,f=1.1) USER MOD Set 1.3: A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc=-0.00021 USER MOD Set 2.2: A 114 HIS : no HD1:sc= 0 X(o=-0.00021,f=-0.00021) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.489 (180deg=-1.61!) USER MOD Single : A 51 THR OG1 : rot -105:sc= 0.769 USER MOD Single : A 52 CYS SG : rot 91:sc= -1.38 USER MOD Single : A 55 SER OG : rot -115:sc= 0.957 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.15 K(o=-0.15,f=-2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.3!) USER MOD Single : A 68 CYS SG : rot 154:sc= 0.149 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0246 K(o=-0.025,f=-4.2!) USER MOD Single : A 72 GLN : amide:sc= -2.1 K(o=-2.1,f=-10!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.1!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.1!) USER MOD Single : A 80 ASN : amide:sc= -4.23! C(o=-4.2!,f=-7.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -5.79! C(o=-5.8!,f=-13!) USER MOD Single : A 89 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.55) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 97 CYS SG : rot 117:sc= 0.346 USER MOD Single : A 109 GLN : amide:sc= -0.953 X(o=-0.95,f=-0.85) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -164:sc= -0.0284 (180deg=-0.261) USER MOD Single : A 133 THR OG1 : rot -168:sc= 1.07 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -2.97! C(o=-3!,f=-3.1!) USER MOD Single : A 136 ASN : amide:sc=-0.000548 K(o=-0.00055,f=-0.6) USER MOD Single : A 142 HIS :FLIP no HD1:sc= -7.4! C(o=-8.7!,f=-7.4!) USER MOD Single : A 145 SER OG : rot 42:sc= 0.679 USER MOD Single : A 146 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-5.5!) USER MOD Single : A 149 LYS NZ :NH3+ 170:sc= -0.803 (180deg=-1.39!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.0825 USER MOD Single : A 156 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 34 -12.607 -12.019 -27.470 1.00 0.00 N ATOM 2 CA GLY A 34 -12.776 -11.021 -28.510 1.00 0.00 C ATOM 3 C GLY A 34 -11.556 -10.134 -28.665 1.00 0.00 C ATOM 4 O GLY A 34 -10.743 -10.020 -27.749 1.00 0.00 O ATOM 0 HA2 GLY A 34 -12.982 -11.519 -29.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.644 -10.403 -28.279 1.00 0.00 H new ATOM 8 N SER A 35 -11.429 -9.505 -29.829 1.00 0.00 N ATOM 9 CA SER A 35 -10.297 -8.628 -30.104 1.00 0.00 C ATOM 10 C SER A 35 -10.760 -7.336 -30.770 1.00 0.00 C ATOM 11 O SER A 35 -11.007 -7.300 -31.975 1.00 0.00 O ATOM 12 CB SER A 35 -9.278 -9.339 -30.997 1.00 0.00 C ATOM 13 OG SER A 35 -8.750 -10.486 -30.355 1.00 0.00 O ATOM 0 H SER A 35 -12.096 -9.586 -30.597 1.00 0.00 H new ATOM 0 HA SER A 35 -9.824 -8.378 -29.154 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.752 -9.629 -31.935 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.468 -8.653 -31.247 1.00 0.00 H new ATOM 0 HG SER A 35 -8.103 -10.923 -30.947 1.00 0.00 H new ATOM 19 N SER A 36 -10.875 -6.276 -29.976 1.00 0.00 N ATOM 20 CA SER A 36 -11.312 -4.982 -30.487 1.00 0.00 C ATOM 21 C SER A 36 -10.176 -3.964 -30.431 1.00 0.00 C ATOM 22 O SER A 36 -9.821 -3.359 -31.441 1.00 0.00 O ATOM 23 CB SER A 36 -12.509 -4.471 -29.683 1.00 0.00 C ATOM 24 OG SER A 36 -13.722 -5.012 -30.176 1.00 0.00 O ATOM 0 H SER A 36 -10.672 -6.288 -28.977 1.00 0.00 H new ATOM 0 HA SER A 36 -11.610 -5.111 -31.527 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.387 -4.739 -28.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.546 -3.383 -29.732 1.00 0.00 H new ATOM 0 HG SER A 36 -14.472 -4.672 -29.645 1.00 0.00 H new ATOM 30 N GLY A 37 -9.610 -3.782 -29.242 1.00 0.00 N ATOM 31 CA GLY A 37 -8.521 -2.838 -29.076 1.00 0.00 C ATOM 32 C GLY A 37 -8.288 -2.472 -27.623 1.00 0.00 C ATOM 33 O GLY A 37 -8.693 -3.202 -26.719 1.00 0.00 O ATOM 0 H GLY A 37 -9.886 -4.272 -28.391 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.608 -3.265 -29.491 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.738 -1.934 -29.645 1.00 0.00 H new ATOM 37 N SER A 38 -7.631 -1.338 -27.398 1.00 0.00 N ATOM 38 CA SER A 38 -7.340 -0.879 -26.045 1.00 0.00 C ATOM 39 C SER A 38 -6.904 0.583 -26.050 1.00 0.00 C ATOM 40 O SER A 38 -5.965 0.965 -25.351 1.00 0.00 O ATOM 41 CB SER A 38 -6.249 -1.746 -25.414 1.00 0.00 C ATOM 42 OG SER A 38 -6.309 -1.691 -23.999 1.00 0.00 O ATOM 0 H SER A 38 -7.290 -0.721 -28.135 1.00 0.00 H new ATOM 0 HA SER A 38 -8.251 -0.966 -25.454 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.363 -2.778 -25.746 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.270 -1.408 -25.753 1.00 0.00 H new ATOM 0 HG SER A 38 -5.603 -2.254 -23.619 1.00 0.00 H new ATOM 48 N SER A 39 -7.594 1.397 -26.843 1.00 0.00 N ATOM 49 CA SER A 39 -7.277 2.817 -26.942 1.00 0.00 C ATOM 50 C SER A 39 -8.527 3.668 -26.737 1.00 0.00 C ATOM 51 O SER A 39 -9.616 3.308 -27.180 1.00 0.00 O ATOM 52 CB SER A 39 -6.653 3.128 -28.304 1.00 0.00 C ATOM 53 OG SER A 39 -5.556 2.270 -28.570 1.00 0.00 O ATOM 0 H SER A 39 -8.376 1.098 -27.426 1.00 0.00 H new ATOM 0 HA SER A 39 -6.560 3.060 -26.158 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.404 3.016 -29.086 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.321 4.166 -28.327 1.00 0.00 H new ATOM 0 HG SER A 39 -5.176 2.488 -29.447 1.00 0.00 H new ATOM 59 N GLY A 40 -8.359 4.801 -26.061 1.00 0.00 N ATOM 60 CA GLY A 40 -9.481 5.687 -25.808 1.00 0.00 C ATOM 61 C GLY A 40 -9.192 6.687 -24.706 1.00 0.00 C ATOM 62 O GLY A 40 -8.144 7.333 -24.704 1.00 0.00 O ATOM 0 H GLY A 40 -7.467 5.121 -25.684 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.731 6.222 -26.724 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.354 5.094 -25.537 1.00 0.00 H new ATOM 66 N ALA A 41 -10.125 6.817 -23.768 1.00 0.00 N ATOM 67 CA ALA A 41 -9.965 7.746 -22.656 1.00 0.00 C ATOM 68 C ALA A 41 -10.254 7.062 -21.324 1.00 0.00 C ATOM 69 O ALA A 41 -11.390 7.059 -20.852 1.00 0.00 O ATOM 70 CB ALA A 41 -10.875 8.951 -22.841 1.00 0.00 C ATOM 0 H ALA A 41 -10.999 6.291 -23.756 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.929 8.085 -22.643 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.746 9.637 -22.004 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.620 9.461 -23.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.913 8.620 -22.882 1.00 0.00 H new ATOM 76 N GLU A 42 -9.218 6.483 -20.725 1.00 0.00 N ATOM 77 CA GLU A 42 -9.362 5.795 -19.447 1.00 0.00 C ATOM 78 C GLU A 42 -8.507 6.460 -18.372 1.00 0.00 C ATOM 79 O GLU A 42 -7.753 7.392 -18.650 1.00 0.00 O ATOM 80 CB GLU A 42 -8.969 4.323 -19.589 1.00 0.00 C ATOM 81 CG GLU A 42 -10.104 3.434 -20.071 1.00 0.00 C ATOM 82 CD GLU A 42 -9.936 1.990 -19.642 1.00 0.00 C ATOM 83 OE1 GLU A 42 -10.198 1.689 -18.459 1.00 0.00 O ATOM 84 OE2 GLU A 42 -9.542 1.160 -20.489 1.00 0.00 O ATOM 0 H GLU A 42 -8.271 6.477 -21.104 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.407 5.857 -19.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.135 4.244 -20.287 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.615 3.956 -18.626 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.049 3.816 -19.685 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.161 3.482 -21.158 1.00 0.00 H new ATOM 91 N LYS A 43 -8.632 5.973 -17.142 1.00 0.00 N ATOM 92 CA LYS A 43 -7.872 6.517 -16.023 1.00 0.00 C ATOM 93 C LYS A 43 -6.732 5.581 -15.632 1.00 0.00 C ATOM 94 O LYS A 43 -6.582 4.500 -16.202 1.00 0.00 O ATOM 95 CB LYS A 43 -8.790 6.749 -14.821 1.00 0.00 C ATOM 96 CG LYS A 43 -9.977 7.645 -15.127 1.00 0.00 C ATOM 97 CD LYS A 43 -11.165 6.844 -15.633 1.00 0.00 C ATOM 98 CE LYS A 43 -12.083 7.693 -16.498 1.00 0.00 C ATOM 99 NZ LYS A 43 -11.516 7.916 -17.857 1.00 0.00 N ATOM 0 H LYS A 43 -9.253 5.202 -16.895 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.445 7.470 -16.336 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.155 5.787 -14.462 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.210 7.192 -14.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.262 8.192 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.692 8.386 -15.874 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.810 5.989 -16.208 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.725 6.448 -14.786 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.054 7.205 -16.585 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.252 8.654 -16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.882 8.809 -18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.479 7.964 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.790 7.130 -18.481 1.00 0.00 H new ATOM 113 N ARG A 44 -5.934 6.003 -14.657 1.00 0.00 N ATOM 114 CA ARG A 44 -4.808 5.202 -14.191 1.00 0.00 C ATOM 115 C ARG A 44 -5.283 4.082 -13.269 1.00 0.00 C ATOM 116 O ARG A 44 -6.214 4.264 -12.484 1.00 0.00 O ATOM 117 CB ARG A 44 -3.795 6.084 -13.459 1.00 0.00 C ATOM 118 CG ARG A 44 -2.363 5.588 -13.571 1.00 0.00 C ATOM 119 CD ARG A 44 -1.529 6.018 -12.374 1.00 0.00 C ATOM 120 NE ARG A 44 -0.116 5.692 -12.546 1.00 0.00 N ATOM 121 CZ ARG A 44 0.402 4.500 -12.272 1.00 0.00 C ATOM 122 NH1 ARG A 44 -0.373 3.526 -11.817 1.00 0.00 N ATOM 123 NH2 ARG A 44 1.698 4.280 -12.455 1.00 0.00 N ATOM 0 H ARG A 44 -6.046 6.895 -14.174 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.328 4.755 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.852 7.097 -13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.070 6.141 -12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.358 4.501 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.914 5.974 -14.486 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.637 7.092 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.907 5.531 -11.475 1.00 0.00 H new ATOM 0 HE ARG A 44 0.507 6.420 -12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.370 3.691 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.027 2.612 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.297 5.027 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.095 3.364 -12.244 1.00 0.00 H new ATOM 137 N ILE A 45 -4.638 2.925 -13.372 1.00 0.00 N ATOM 138 CA ILE A 45 -4.994 1.777 -12.547 1.00 0.00 C ATOM 139 C ILE A 45 -3.846 1.387 -11.622 1.00 0.00 C ATOM 140 O ILE A 45 -2.678 1.618 -11.935 1.00 0.00 O ATOM 141 CB ILE A 45 -5.378 0.561 -13.411 1.00 0.00 C ATOM 142 CG1 ILE A 45 -6.547 0.912 -14.334 1.00 0.00 C ATOM 143 CG2 ILE A 45 -5.731 -0.626 -12.528 1.00 0.00 C ATOM 144 CD1 ILE A 45 -7.803 1.311 -13.592 1.00 0.00 C ATOM 0 H ILE A 45 -3.867 2.758 -14.018 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.855 2.074 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.522 0.288 -14.028 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.248 1.728 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.767 0.055 -14.970 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.000 -1.477 -13.153 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.873 -0.887 -11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.574 -0.365 -11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.590 1.546 -14.309 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.126 0.488 -12.955 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.599 2.187 -12.977 1.00 0.00 H new ATOM 156 N ILE A 46 -4.186 0.793 -10.484 1.00 0.00 N ATOM 157 CA ILE A 46 -3.184 0.368 -9.515 1.00 0.00 C ATOM 158 C ILE A 46 -3.284 -1.129 -9.240 1.00 0.00 C ATOM 159 O ILE A 46 -4.378 -1.692 -9.208 1.00 0.00 O ATOM 160 CB ILE A 46 -3.326 1.133 -8.185 1.00 0.00 C ATOM 161 CG1 ILE A 46 -3.367 2.641 -8.441 1.00 0.00 C ATOM 162 CG2 ILE A 46 -2.183 0.780 -7.246 1.00 0.00 C ATOM 163 CD1 ILE A 46 -2.071 3.196 -8.988 1.00 0.00 C ATOM 0 H ILE A 46 -5.148 0.595 -10.210 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.210 0.591 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.263 0.838 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.172 2.861 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.608 3.153 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.298 1.328 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.197 -0.291 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.234 1.049 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.173 4.270 -9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.266 3.008 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.839 2.711 -9.936 1.00 0.00 H new ATOM 175 N ARG A 47 -2.135 -1.766 -9.042 1.00 0.00 N ATOM 176 CA ARG A 47 -2.093 -3.198 -8.770 1.00 0.00 C ATOM 177 C ARG A 47 -1.586 -3.468 -7.356 1.00 0.00 C ATOM 178 O ARG A 47 -0.419 -3.228 -7.047 1.00 0.00 O ATOM 179 CB ARG A 47 -1.197 -3.906 -9.788 1.00 0.00 C ATOM 180 CG ARG A 47 -1.935 -4.358 -11.038 1.00 0.00 C ATOM 181 CD ARG A 47 -2.964 -5.430 -10.720 1.00 0.00 C ATOM 182 NE ARG A 47 -2.369 -6.574 -10.034 1.00 0.00 N ATOM 183 CZ ARG A 47 -1.781 -7.585 -10.665 1.00 0.00 C ATOM 184 NH1 ARG A 47 -1.709 -7.592 -11.989 1.00 0.00 N ATOM 185 NH2 ARG A 47 -1.263 -8.590 -9.971 1.00 0.00 N ATOM 0 H ARG A 47 -1.221 -1.314 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.107 -3.588 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.388 -3.235 -10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.738 -4.773 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.429 -3.503 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.220 -4.743 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.751 -5.004 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.435 -5.766 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.407 -6.598 -9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.105 -6.820 -12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.257 -8.369 -12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.316 -8.587 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.812 -9.366 -10.456 1.00 0.00 H new ATOM 199 N VAL A 48 -2.472 -3.968 -6.500 1.00 0.00 N ATOM 200 CA VAL A 48 -2.116 -4.271 -5.120 1.00 0.00 C ATOM 201 C VAL A 48 -0.769 -4.981 -5.043 1.00 0.00 C ATOM 202 O VAL A 48 -0.608 -6.087 -5.561 1.00 0.00 O ATOM 203 CB VAL A 48 -3.185 -5.149 -4.443 1.00 0.00 C ATOM 204 CG1 VAL A 48 -2.777 -5.484 -3.017 1.00 0.00 C ATOM 205 CG2 VAL A 48 -4.538 -4.454 -4.470 1.00 0.00 C ATOM 0 H VAL A 48 -3.442 -4.172 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.053 -3.318 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.270 -6.083 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.545 -6.105 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.831 -6.025 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.663 -4.563 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.282 -5.088 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.470 -3.505 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.832 -4.271 -5.503 1.00 0.00 H new ATOM 215 N ASP A 49 0.196 -4.339 -4.395 1.00 0.00 N ATOM 216 CA ASP A 49 1.531 -4.909 -4.249 1.00 0.00 C ATOM 217 C ASP A 49 1.459 -6.425 -4.095 1.00 0.00 C ATOM 218 O ASP A 49 0.564 -6.967 -3.447 1.00 0.00 O ATOM 219 CB ASP A 49 2.242 -4.295 -3.043 1.00 0.00 C ATOM 220 CG ASP A 49 3.738 -4.169 -3.255 1.00 0.00 C ATOM 221 OD1 ASP A 49 4.157 -3.246 -3.985 1.00 0.00 O ATOM 222 OD2 ASP A 49 4.489 -4.993 -2.693 1.00 0.00 O ATOM 0 H ASP A 49 0.079 -3.423 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 49 2.099 -4.679 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.822 -3.310 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.053 -4.909 -2.162 1.00 0.00 H new ATOM 227 N PRO A 50 2.424 -7.129 -4.706 1.00 0.00 N ATOM 228 CA PRO A 50 2.492 -8.592 -4.653 1.00 0.00 C ATOM 229 C PRO A 50 2.863 -9.104 -3.265 1.00 0.00 C ATOM 230 O PRO A 50 2.436 -10.185 -2.856 1.00 0.00 O ATOM 231 CB PRO A 50 3.594 -8.933 -5.660 1.00 0.00 C ATOM 232 CG PRO A 50 4.449 -7.714 -5.713 1.00 0.00 C ATOM 233 CD PRO A 50 3.523 -6.549 -5.497 1.00 0.00 C ATOM 0 HA PRO A 50 1.531 -9.053 -4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.166 -9.804 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.177 -9.167 -6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.222 -7.746 -4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.957 -7.635 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.017 -5.737 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.166 -6.139 -6.442 1.00 0.00 H new ATOM 241 N THR A 51 3.659 -8.322 -2.543 1.00 0.00 N ATOM 242 CA THR A 51 4.087 -8.697 -1.201 1.00 0.00 C ATOM 243 C THR A 51 2.891 -8.893 -0.277 1.00 0.00 C ATOM 244 O THR A 51 2.884 -9.794 0.562 1.00 0.00 O ATOM 245 CB THR A 51 5.023 -7.635 -0.593 1.00 0.00 C ATOM 246 OG1 THR A 51 4.409 -6.343 -0.662 1.00 0.00 O ATOM 247 CG2 THR A 51 6.357 -7.607 -1.323 1.00 0.00 C ATOM 0 H THR A 51 4.021 -7.424 -2.865 1.00 0.00 H new ATOM 0 HA THR A 51 4.629 -9.638 -1.293 1.00 0.00 H new ATOM 0 HB THR A 51 5.203 -7.896 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.834 -5.816 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.001 -6.850 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.836 -8.583 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.192 -7.368 -2.374 1.00 0.00 H new ATOM 255 N CYS A 52 1.881 -8.045 -0.437 1.00 0.00 N ATOM 256 CA CYS A 52 0.678 -8.125 0.384 1.00 0.00 C ATOM 257 C CYS A 52 -0.108 -9.395 0.075 1.00 0.00 C ATOM 258 O CYS A 52 -0.281 -9.782 -1.081 1.00 0.00 O ATOM 259 CB CYS A 52 -0.204 -6.897 0.155 1.00 0.00 C ATOM 260 SG CYS A 52 -1.794 -6.959 1.014 1.00 0.00 S ATOM 0 H CYS A 52 1.871 -7.294 -1.128 1.00 0.00 H new ATOM 0 HA CYS A 52 0.984 -8.154 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.338 -6.008 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.385 -6.787 -0.914 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.676 -6.410 2.186 1.00 0.00 H new ATOM 266 N PRO A 53 -0.594 -10.062 1.132 1.00 0.00 N ATOM 267 CA PRO A 53 -1.368 -11.300 0.999 1.00 0.00 C ATOM 268 C PRO A 53 -2.747 -11.059 0.393 1.00 0.00 C ATOM 269 O PRO A 53 -3.145 -11.736 -0.556 1.00 0.00 O ATOM 270 CB PRO A 53 -1.498 -11.794 2.442 1.00 0.00 C ATOM 271 CG PRO A 53 -1.373 -10.566 3.276 1.00 0.00 C ATOM 272 CD PRO A 53 -0.426 -9.659 2.539 1.00 0.00 C ATOM 0 HA PRO A 53 -0.884 -12.013 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.455 -12.288 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.720 -12.518 2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.343 -10.088 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.991 -10.806 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.677 -8.609 2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.602 -9.793 2.875 1.00 0.00 H new ATOM 280 N LEU A 54 -3.470 -10.092 0.946 1.00 0.00 N ATOM 281 CA LEU A 54 -4.805 -9.762 0.459 1.00 0.00 C ATOM 282 C LEU A 54 -4.838 -9.738 -1.066 1.00 0.00 C ATOM 283 O LEU A 54 -5.835 -10.116 -1.681 1.00 0.00 O ATOM 284 CB LEU A 54 -5.249 -8.406 1.011 1.00 0.00 C ATOM 285 CG LEU A 54 -5.299 -8.285 2.534 1.00 0.00 C ATOM 286 CD1 LEU A 54 -5.516 -6.838 2.948 1.00 0.00 C ATOM 287 CD2 LEU A 54 -6.395 -9.175 3.104 1.00 0.00 C ATOM 0 H LEU A 54 -3.155 -9.523 1.732 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.493 -10.533 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.573 -7.641 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.240 -8.182 0.616 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.342 -8.617 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.549 -6.772 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.697 -6.225 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.458 -6.478 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.416 -9.076 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.359 -8.874 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.196 -10.213 2.838 1.00 0.00 H new ATOM 299 N SER A 55 -3.740 -9.295 -1.670 1.00 0.00 N ATOM 300 CA SER A 55 -3.644 -9.221 -3.123 1.00 0.00 C ATOM 301 C SER A 55 -4.273 -10.450 -3.772 1.00 0.00 C ATOM 302 O SER A 55 -5.073 -10.334 -4.701 1.00 0.00 O ATOM 303 CB SER A 55 -2.181 -9.096 -3.553 1.00 0.00 C ATOM 304 OG SER A 55 -1.498 -10.329 -3.404 1.00 0.00 O ATOM 0 H SER A 55 -2.905 -8.982 -1.176 1.00 0.00 H new ATOM 0 HA SER A 55 -4.189 -8.337 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.131 -8.772 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.688 -8.329 -2.956 1.00 0.00 H new ATOM 0 HG SER A 55 -0.801 -10.236 -2.721 1.00 0.00 H new ATOM 310 N SER A 56 -3.905 -11.627 -3.277 1.00 0.00 N ATOM 311 CA SER A 56 -4.429 -12.879 -3.810 1.00 0.00 C ATOM 312 C SER A 56 -5.949 -12.925 -3.692 1.00 0.00 C ATOM 313 O SER A 56 -6.645 -13.298 -4.636 1.00 0.00 O ATOM 314 CB SER A 56 -3.813 -14.069 -3.073 1.00 0.00 C ATOM 315 OG SER A 56 -2.481 -14.300 -3.500 1.00 0.00 O ATOM 0 H SER A 56 -3.246 -11.740 -2.507 1.00 0.00 H new ATOM 0 HA SER A 56 -4.162 -12.936 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.827 -13.882 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.414 -14.961 -3.249 1.00 0.00 H new ATOM 0 HG SER A 56 -2.109 -15.065 -3.013 1.00 0.00 H new ATOM 321 N ASN A 57 -6.458 -12.543 -2.526 1.00 0.00 N ATOM 322 CA ASN A 57 -7.896 -12.540 -2.283 1.00 0.00 C ATOM 323 C ASN A 57 -8.624 -11.707 -3.333 1.00 0.00 C ATOM 324 O ASN A 57 -8.283 -10.553 -3.591 1.00 0.00 O ATOM 325 CB ASN A 57 -8.197 -11.996 -0.885 1.00 0.00 C ATOM 326 CG ASN A 57 -8.080 -13.061 0.188 1.00 0.00 C ATOM 327 OD1 ASN A 57 -8.177 -14.255 -0.094 1.00 0.00 O ATOM 328 ND2 ASN A 57 -7.869 -12.631 1.427 1.00 0.00 N ATOM 0 H ASN A 57 -5.896 -12.231 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.252 -13.568 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.510 -11.180 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.204 -11.578 -0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.781 -13.301 2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.795 -11.631 1.614 1.00 0.00 H new ATOM 335 N PRO A 58 -9.652 -12.304 -3.954 1.00 0.00 N ATOM 336 CA PRO A 58 -10.451 -11.635 -4.985 1.00 0.00 C ATOM 337 C PRO A 58 -11.317 -10.518 -4.414 1.00 0.00 C ATOM 338 O PRO A 58 -11.972 -10.691 -3.387 1.00 0.00 O ATOM 339 CB PRO A 58 -11.327 -12.761 -5.541 1.00 0.00 C ATOM 340 CG PRO A 58 -11.425 -13.748 -4.430 1.00 0.00 C ATOM 341 CD PRO A 58 -10.114 -13.678 -3.696 1.00 0.00 C ATOM 0 HA PRO A 58 -9.826 -11.153 -5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.311 -12.391 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.881 -13.208 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.256 -13.508 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.604 -14.752 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.240 -13.866 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.405 -14.417 -4.069 1.00 0.00 H new ATOM 349 N GLY A 59 -11.317 -9.372 -5.087 1.00 0.00 N ATOM 350 CA GLY A 59 -12.107 -8.243 -4.631 1.00 0.00 C ATOM 351 C GLY A 59 -11.259 -7.162 -3.991 1.00 0.00 C ATOM 352 O GLY A 59 -11.565 -5.974 -4.103 1.00 0.00 O ATOM 0 H GLY A 59 -10.784 -9.205 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.652 -7.821 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.850 -8.590 -3.913 1.00 0.00 H new ATOM 356 N THR A 60 -10.190 -7.573 -3.316 1.00 0.00 N ATOM 357 CA THR A 60 -9.297 -6.631 -2.653 1.00 0.00 C ATOM 358 C THR A 60 -8.561 -5.764 -3.668 1.00 0.00 C ATOM 359 O THR A 60 -7.510 -6.149 -4.179 1.00 0.00 O ATOM 360 CB THR A 60 -8.264 -7.361 -1.773 1.00 0.00 C ATOM 361 OG1 THR A 60 -8.933 -8.123 -0.762 1.00 0.00 O ATOM 362 CG2 THR A 60 -7.312 -6.369 -1.122 1.00 0.00 C ATOM 0 H THR A 60 -9.922 -8.552 -3.214 1.00 0.00 H new ATOM 0 HA THR A 60 -9.919 -5.997 -2.021 1.00 0.00 H new ATOM 0 HB THR A 60 -7.686 -8.032 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.270 -8.585 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.592 -6.907 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.783 -5.811 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.878 -5.677 -0.498 1.00 0.00 H new ATOM 370 N GLN A 61 -9.120 -4.592 -3.954 1.00 0.00 N ATOM 371 CA GLN A 61 -8.515 -3.671 -4.908 1.00 0.00 C ATOM 372 C GLN A 61 -7.946 -2.447 -4.198 1.00 0.00 C ATOM 373 O GLN A 61 -8.057 -2.317 -2.979 1.00 0.00 O ATOM 374 CB GLN A 61 -9.545 -3.236 -5.952 1.00 0.00 C ATOM 375 CG GLN A 61 -10.723 -2.475 -5.365 1.00 0.00 C ATOM 376 CD GLN A 61 -11.854 -2.293 -6.358 1.00 0.00 C ATOM 377 OE1 GLN A 61 -11.681 -2.506 -7.559 1.00 0.00 O ATOM 378 NE2 GLN A 61 -13.020 -1.896 -5.862 1.00 0.00 N ATOM 0 H GLN A 61 -9.990 -4.259 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.698 -4.191 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.053 -2.610 -6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.917 -4.118 -6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.095 -3.008 -4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.385 -1.497 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.119 -1.731 -4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.817 -1.756 -6.483 1.00 0.00 H new ATOM 387 N VAL A 62 -7.336 -1.552 -4.968 1.00 0.00 N ATOM 388 CA VAL A 62 -6.750 -0.338 -4.413 1.00 0.00 C ATOM 389 C VAL A 62 -7.719 0.836 -4.514 1.00 0.00 C ATOM 390 O VAL A 62 -7.978 1.348 -5.603 1.00 0.00 O ATOM 391 CB VAL A 62 -5.438 0.031 -5.130 1.00 0.00 C ATOM 392 CG1 VAL A 62 -5.014 1.448 -4.774 1.00 0.00 C ATOM 393 CG2 VAL A 62 -4.343 -0.966 -4.781 1.00 0.00 C ATOM 0 H VAL A 62 -7.235 -1.645 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.537 -0.541 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.608 -0.011 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.085 1.690 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.792 2.148 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.861 1.522 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.423 -0.691 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.173 -0.958 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.648 -1.965 -5.092 1.00 0.00 H new ATOM 403 N TYR A 63 -8.250 1.257 -3.372 1.00 0.00 N ATOM 404 CA TYR A 63 -9.192 2.369 -3.331 1.00 0.00 C ATOM 405 C TYR A 63 -8.608 3.602 -4.014 1.00 0.00 C ATOM 406 O TYR A 63 -7.819 4.338 -3.421 1.00 0.00 O ATOM 407 CB TYR A 63 -9.560 2.700 -1.884 1.00 0.00 C ATOM 408 CG TYR A 63 -10.205 4.058 -1.719 1.00 0.00 C ATOM 409 CD1 TYR A 63 -11.570 4.229 -1.915 1.00 0.00 C ATOM 410 CD2 TYR A 63 -9.449 5.170 -1.368 1.00 0.00 C ATOM 411 CE1 TYR A 63 -12.163 5.468 -1.766 1.00 0.00 C ATOM 412 CE2 TYR A 63 -10.034 6.412 -1.215 1.00 0.00 C ATOM 413 CZ TYR A 63 -11.391 6.556 -1.415 1.00 0.00 C ATOM 414 OH TYR A 63 -11.977 7.792 -1.265 1.00 0.00 O ATOM 0 H TYR A 63 -8.044 0.845 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.092 2.070 -3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.240 1.936 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.660 2.657 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.178 3.379 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.386 5.061 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -13.225 5.584 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.432 7.266 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.904 7.681 -0.968 1.00 0.00 H new ATOM 424 N GLU A 64 -9.002 3.821 -5.264 1.00 0.00 N ATOM 425 CA GLU A 64 -8.518 4.965 -6.028 1.00 0.00 C ATOM 426 C GLU A 64 -7.061 4.770 -6.436 1.00 0.00 C ATOM 427 O GLU A 64 -6.628 3.652 -6.718 1.00 0.00 O ATOM 428 CB GLU A 64 -8.663 6.251 -5.211 1.00 0.00 C ATOM 429 CG GLU A 64 -10.008 6.382 -4.517 1.00 0.00 C ATOM 430 CD GLU A 64 -10.456 7.824 -4.379 1.00 0.00 C ATOM 431 OE1 GLU A 64 -9.849 8.559 -3.572 1.00 0.00 O ATOM 432 OE2 GLU A 64 -11.413 8.218 -5.078 1.00 0.00 O ATOM 0 H GLU A 64 -9.655 3.222 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.122 5.047 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.872 6.287 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.518 7.108 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.758 5.825 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.948 5.928 -3.528 1.00 0.00 H new ATOM 439 N ASP A 65 -6.309 5.865 -6.464 1.00 0.00 N ATOM 440 CA ASP A 65 -4.900 5.815 -6.836 1.00 0.00 C ATOM 441 C ASP A 65 -4.011 6.164 -5.646 1.00 0.00 C ATOM 442 O ASP A 65 -3.010 6.867 -5.791 1.00 0.00 O ATOM 443 CB ASP A 65 -4.622 6.775 -7.995 1.00 0.00 C ATOM 444 CG ASP A 65 -3.309 6.476 -8.691 1.00 0.00 C ATOM 445 OD1 ASP A 65 -2.247 6.804 -8.121 1.00 0.00 O ATOM 446 OD2 ASP A 65 -3.343 5.914 -9.805 1.00 0.00 O ATOM 0 H ASP A 65 -6.652 6.798 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.669 4.798 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.436 6.713 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.606 7.798 -7.620 1.00 0.00 H new ATOM 451 N TYR A 66 -4.384 5.671 -4.471 1.00 0.00 N ATOM 452 CA TYR A 66 -3.623 5.933 -3.255 1.00 0.00 C ATOM 453 C TYR A 66 -2.411 5.012 -3.162 1.00 0.00 C ATOM 454 O TYR A 66 -2.404 4.052 -2.392 1.00 0.00 O ATOM 455 CB TYR A 66 -4.512 5.752 -2.023 1.00 0.00 C ATOM 456 CG TYR A 66 -5.268 7.001 -1.632 1.00 0.00 C ATOM 457 CD1 TYR A 66 -4.672 7.979 -0.844 1.00 0.00 C ATOM 458 CD2 TYR A 66 -6.577 7.204 -2.050 1.00 0.00 C ATOM 459 CE1 TYR A 66 -5.359 9.122 -0.484 1.00 0.00 C ATOM 460 CE2 TYR A 66 -7.271 8.345 -1.696 1.00 0.00 C ATOM 461 CZ TYR A 66 -6.658 9.301 -0.912 1.00 0.00 C ATOM 462 OH TYR A 66 -7.347 10.438 -0.556 1.00 0.00 O ATOM 0 H TYR A 66 -5.209 5.087 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.271 6.964 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.226 4.951 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.894 5.434 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.655 7.843 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.061 6.457 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.881 9.872 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.288 8.488 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.248 10.408 -0.940 1.00 0.00 H new ATOM 472 N ASN A 67 -1.385 5.313 -3.952 1.00 0.00 N ATOM 473 CA ASN A 67 -0.166 4.513 -3.959 1.00 0.00 C ATOM 474 C ASN A 67 1.059 5.391 -4.199 1.00 0.00 C ATOM 475 O ASN A 67 1.276 5.882 -5.308 1.00 0.00 O ATOM 476 CB ASN A 67 -0.249 3.429 -5.035 1.00 0.00 C ATOM 477 CG ASN A 67 1.114 3.055 -5.586 1.00 0.00 C ATOM 478 OD1 ASN A 67 2.130 3.191 -4.904 1.00 0.00 O ATOM 479 ND2 ASN A 67 1.141 2.581 -6.826 1.00 0.00 N ATOM 0 H ASN A 67 -1.374 6.105 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.066 4.039 -2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.725 2.542 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.884 3.777 -5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.029 2.313 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.274 2.485 -7.354 1.00 0.00 H new ATOM 486 N CYS A 68 1.857 5.582 -3.154 1.00 0.00 N ATOM 487 CA CYS A 68 3.060 6.401 -3.251 1.00 0.00 C ATOM 488 C CYS A 68 4.260 5.676 -2.651 1.00 0.00 C ATOM 489 O CYS A 68 4.154 5.036 -1.604 1.00 0.00 O ATOM 490 CB CYS A 68 2.850 7.739 -2.541 1.00 0.00 C ATOM 491 SG CYS A 68 2.335 7.586 -0.815 1.00 0.00 S ATOM 0 H CYS A 68 1.693 5.181 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 68 3.260 6.586 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 68 3.778 8.310 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.098 8.312 -3.084 1.00 0.00 H new ATOM 0 HG CYS A 68 2.709 8.642 -0.155 1.00 0.00 H new ATOM 497 N THR A 69 5.404 5.779 -3.322 1.00 0.00 N ATOM 498 CA THR A 69 6.623 5.131 -2.857 1.00 0.00 C ATOM 499 C THR A 69 7.521 6.115 -2.116 1.00 0.00 C ATOM 500 O THR A 69 7.761 7.228 -2.587 1.00 0.00 O ATOM 501 CB THR A 69 7.413 4.515 -4.027 1.00 0.00 C ATOM 502 OG1 THR A 69 6.614 3.531 -4.693 1.00 0.00 O ATOM 503 CG2 THR A 69 8.703 3.878 -3.533 1.00 0.00 C ATOM 0 H THR A 69 5.511 6.305 -4.189 1.00 0.00 H new ATOM 0 HA THR A 69 6.318 4.337 -2.175 1.00 0.00 H new ATOM 0 HB THR A 69 7.665 5.312 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.123 3.145 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.244 3.450 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.322 4.635 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.469 3.092 -2.815 1.00 0.00 H new ATOM 511 N LEU A 70 8.015 5.700 -0.955 1.00 0.00 N ATOM 512 CA LEU A 70 8.888 6.546 -0.148 1.00 0.00 C ATOM 513 C LEU A 70 10.267 5.913 0.009 1.00 0.00 C ATOM 514 O LEU A 70 10.385 4.723 0.295 1.00 0.00 O ATOM 515 CB LEU A 70 8.266 6.788 1.228 1.00 0.00 C ATOM 516 CG LEU A 70 6.793 7.199 1.237 1.00 0.00 C ATOM 517 CD1 LEU A 70 6.318 7.455 2.658 1.00 0.00 C ATOM 518 CD2 LEU A 70 6.578 8.432 0.370 1.00 0.00 C ATOM 0 H LEU A 70 7.826 4.783 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 70 9.003 7.501 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.372 5.877 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.842 7.563 1.733 1.00 0.00 H new ATOM 0 HG LEU A 70 6.205 6.380 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.268 7.746 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.435 6.547 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.910 8.256 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.524 8.710 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.178 9.257 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.878 8.213 -0.655 1.00 0.00 H new ATOM 530 N ASN A 71 11.307 6.719 -0.180 1.00 0.00 N ATOM 531 CA ASN A 71 12.678 6.238 -0.058 1.00 0.00 C ATOM 532 C ASN A 71 13.372 6.872 1.143 1.00 0.00 C ATOM 533 O ASN A 71 12.991 7.952 1.593 1.00 0.00 O ATOM 534 CB ASN A 71 13.463 6.543 -1.335 1.00 0.00 C ATOM 535 CG ASN A 71 13.391 5.412 -2.342 1.00 0.00 C ATOM 536 OD1 ASN A 71 12.760 5.539 -3.391 1.00 0.00 O ATOM 537 ND2 ASN A 71 14.039 4.296 -2.026 1.00 0.00 N ATOM 0 H ASN A 71 11.226 7.708 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 71 12.646 5.159 0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.074 7.455 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.506 6.733 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.026 3.501 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.550 4.235 -1.145 1.00 0.00 H new ATOM 544 N GLN A 72 14.393 6.194 1.657 1.00 0.00 N ATOM 545 CA GLN A 72 15.140 6.691 2.806 1.00 0.00 C ATOM 546 C GLN A 72 16.586 6.206 2.767 1.00 0.00 C ATOM 547 O GLN A 72 16.865 5.031 3.011 1.00 0.00 O ATOM 548 CB GLN A 72 14.474 6.243 4.107 1.00 0.00 C ATOM 549 CG GLN A 72 15.017 6.945 5.342 1.00 0.00 C ATOM 550 CD GLN A 72 14.458 8.344 5.511 1.00 0.00 C ATOM 551 OE1 GLN A 72 14.193 9.041 4.532 1.00 0.00 O ATOM 552 NE2 GLN A 72 14.277 8.762 6.758 1.00 0.00 N ATOM 0 H GLN A 72 14.722 5.299 1.296 1.00 0.00 H new ATOM 0 HA GLN A 72 15.140 7.780 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.402 6.425 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.608 5.167 4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.779 6.353 6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.104 6.997 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.511 8.150 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.904 9.695 6.934 1.00 0.00 H new ATOM 561 N THR A 73 17.503 7.117 2.458 1.00 0.00 N ATOM 562 CA THR A 73 18.920 6.782 2.386 1.00 0.00 C ATOM 563 C THR A 73 19.692 7.404 3.544 1.00 0.00 C ATOM 564 O THR A 73 19.264 8.402 4.123 1.00 0.00 O ATOM 565 CB THR A 73 19.541 7.254 1.058 1.00 0.00 C ATOM 566 OG1 THR A 73 19.106 8.584 0.758 1.00 0.00 O ATOM 567 CG2 THR A 73 19.158 6.320 -0.080 1.00 0.00 C ATOM 0 H THR A 73 17.290 8.093 2.253 1.00 0.00 H new ATOM 0 HA THR A 73 18.992 5.696 2.447 1.00 0.00 H new ATOM 0 HB THR A 73 20.626 7.244 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.507 8.877 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.608 6.673 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.518 5.314 0.138 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.073 6.302 -0.187 1.00 0.00 H new ATOM 575 N ASN A 74 20.832 6.807 3.877 1.00 0.00 N ATOM 576 CA ASN A 74 21.664 7.303 4.968 1.00 0.00 C ATOM 577 C ASN A 74 23.143 7.090 4.663 1.00 0.00 C ATOM 578 O ASN A 74 23.520 6.110 4.019 1.00 0.00 O ATOM 579 CB ASN A 74 21.295 6.604 6.277 1.00 0.00 C ATOM 580 CG ASN A 74 20.212 7.340 7.041 1.00 0.00 C ATOM 581 OD1 ASN A 74 19.870 8.477 6.715 1.00 0.00 O ATOM 582 ND2 ASN A 74 19.666 6.693 8.064 1.00 0.00 N ATOM 0 H ASN A 74 21.201 5.980 3.408 1.00 0.00 H new ATOM 0 HA ASN A 74 21.483 8.373 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 74 20.958 5.590 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 74 22.183 6.519 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 74 18.932 7.138 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 74 19.981 5.751 8.298 1.00 0.00 H new ATOM 589 N ILE A 75 23.977 8.014 5.130 1.00 0.00 N ATOM 590 CA ILE A 75 25.415 7.926 4.909 1.00 0.00 C ATOM 591 C ILE A 75 26.048 6.878 5.818 1.00 0.00 C ATOM 592 O ILE A 75 27.014 7.159 6.526 1.00 0.00 O ATOM 593 CB ILE A 75 26.105 9.281 5.148 1.00 0.00 C ATOM 594 CG1 ILE A 75 27.527 9.262 4.582 1.00 0.00 C ATOM 595 CG2 ILE A 75 26.126 9.610 6.634 1.00 0.00 C ATOM 596 CD1 ILE A 75 27.576 9.321 3.071 1.00 0.00 C ATOM 0 H ILE A 75 23.681 8.832 5.663 1.00 0.00 H new ATOM 0 HA ILE A 75 25.557 7.634 3.868 1.00 0.00 H new ATOM 0 HB ILE A 75 25.539 10.056 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 75 28.083 10.107 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 75 28.032 8.356 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 75 26.617 10.571 6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 75 25.104 9.661 7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 75 26.672 8.834 7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 75 28.614 9.304 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 75 27.048 8.462 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 75 27.101 10.240 2.727 1.00 0.00 H new ATOM 608 N GLU A 76 25.497 5.668 5.791 1.00 0.00 N ATOM 609 CA GLU A 76 26.009 4.578 6.613 1.00 0.00 C ATOM 610 C GLU A 76 26.109 3.288 5.804 1.00 0.00 C ATOM 611 O GLU A 76 25.097 2.683 5.453 1.00 0.00 O ATOM 612 CB GLU A 76 25.108 4.361 7.830 1.00 0.00 C ATOM 613 CG GLU A 76 25.317 5.385 8.933 1.00 0.00 C ATOM 614 CD GLU A 76 24.387 5.171 10.112 1.00 0.00 C ATOM 615 OE1 GLU A 76 24.681 4.292 10.948 1.00 0.00 O ATOM 616 OE2 GLU A 76 23.365 5.884 10.198 1.00 0.00 O ATOM 0 H GLU A 76 24.697 5.418 5.209 1.00 0.00 H new ATOM 0 HA GLU A 76 27.008 4.852 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.066 4.391 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.289 3.364 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 76 26.350 5.337 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 25.161 6.385 8.529 1.00 0.00 H new ATOM 623 N ASN A 77 27.338 2.874 5.512 1.00 0.00 N ATOM 624 CA ASN A 77 27.572 1.656 4.744 1.00 0.00 C ATOM 625 C ASN A 77 26.594 1.553 3.578 1.00 0.00 C ATOM 626 O ASN A 77 26.080 0.476 3.279 1.00 0.00 O ATOM 627 CB ASN A 77 27.441 0.427 5.645 1.00 0.00 C ATOM 628 CG ASN A 77 28.459 0.421 6.768 1.00 0.00 C ATOM 629 OD1 ASN A 77 29.565 -0.099 6.616 1.00 0.00 O ATOM 630 ND2 ASN A 77 28.091 1.002 7.904 1.00 0.00 N ATOM 0 H ASN A 77 28.187 3.364 5.795 1.00 0.00 H new ATOM 0 HA ASN A 77 28.585 1.697 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 77 26.437 0.396 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 77 27.562 -0.475 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 77 28.735 1.030 8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 77 27.164 1.421 7.986 1.00 0.00 H new ATOM 637 N ASN A 78 26.343 2.681 2.921 1.00 0.00 N ATOM 638 CA ASN A 78 25.426 2.718 1.787 1.00 0.00 C ATOM 639 C ASN A 78 24.141 1.958 2.102 1.00 0.00 C ATOM 640 O ASN A 78 23.750 1.051 1.369 1.00 0.00 O ATOM 641 CB ASN A 78 26.094 2.122 0.546 1.00 0.00 C ATOM 642 CG ASN A 78 27.423 2.781 0.232 1.00 0.00 C ATOM 643 OD1 ASN A 78 28.471 2.350 0.712 1.00 0.00 O ATOM 644 ND2 ASN A 78 27.384 3.833 -0.578 1.00 0.00 N ATOM 0 H ASN A 78 26.762 3.581 3.154 1.00 0.00 H new ATOM 0 HA ASN A 78 25.172 3.759 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.248 1.054 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.427 2.230 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.246 4.318 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.492 4.155 -0.953 1.00 0.00 H new ATOM 651 N ASN A 79 23.489 2.337 3.196 1.00 0.00 N ATOM 652 CA ASN A 79 22.247 1.692 3.608 1.00 0.00 C ATOM 653 C ASN A 79 21.036 2.462 3.091 1.00 0.00 C ATOM 654 O ASN A 79 20.837 3.627 3.433 1.00 0.00 O ATOM 655 CB ASN A 79 22.185 1.585 5.133 1.00 0.00 C ATOM 656 CG ASN A 79 22.815 0.305 5.649 1.00 0.00 C ATOM 657 OD1 ASN A 79 23.217 -0.560 4.870 1.00 0.00 O ATOM 658 ND2 ASN A 79 22.903 0.180 6.968 1.00 0.00 N ATOM 0 H ASN A 79 23.800 3.087 3.813 1.00 0.00 H new ATOM 0 HA ASN A 79 22.228 0.690 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 79 22.694 2.441 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 79 21.145 1.631 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 79 23.317 -0.659 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 79 22.556 0.923 7.575 1.00 0.00 H new ATOM 665 N ASN A 80 20.231 1.803 2.265 1.00 0.00 N ATOM 666 CA ASN A 80 19.039 2.426 1.701 1.00 0.00 C ATOM 667 C ASN A 80 17.790 1.616 2.038 1.00 0.00 C ATOM 668 O ASN A 80 17.795 0.387 1.968 1.00 0.00 O ATOM 669 CB ASN A 80 19.178 2.560 0.183 1.00 0.00 C ATOM 670 CG ASN A 80 20.446 3.288 -0.220 1.00 0.00 C ATOM 671 OD1 ASN A 80 21.145 3.852 0.623 1.00 0.00 O ATOM 672 ND2 ASN A 80 20.748 3.279 -1.513 1.00 0.00 N ATOM 0 H ASN A 80 20.382 0.838 1.971 1.00 0.00 H new ATOM 0 HA ASN A 80 18.937 3.419 2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.173 1.568 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 80 18.314 3.095 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 80 21.589 3.752 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 80 20.139 2.799 -2.176 1.00 0.00 H new ATOM 679 N LYS A 81 16.721 2.314 2.405 1.00 0.00 N ATOM 680 CA LYS A 81 15.463 1.663 2.753 1.00 0.00 C ATOM 681 C LYS A 81 14.308 2.243 1.943 1.00 0.00 C ATOM 682 O LYS A 81 14.471 3.236 1.234 1.00 0.00 O ATOM 683 CB LYS A 81 15.181 1.819 4.249 1.00 0.00 C ATOM 684 CG LYS A 81 16.282 1.266 5.136 1.00 0.00 C ATOM 685 CD LYS A 81 16.057 1.627 6.595 1.00 0.00 C ATOM 686 CE LYS A 81 17.356 1.592 7.385 1.00 0.00 C ATOM 687 NZ LYS A 81 17.113 1.623 8.854 1.00 0.00 N ATOM 0 H LYS A 81 16.700 3.332 2.469 1.00 0.00 H new ATOM 0 HA LYS A 81 15.553 0.603 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.040 2.876 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.245 1.314 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 81 16.325 0.182 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.245 1.657 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.617 2.622 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.343 0.932 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.913 0.691 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.976 2.442 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.023 1.598 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.604 2.495 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.542 0.798 9.129 1.00 0.00 H new ATOM 701 N PHE A 82 13.141 1.619 2.055 1.00 0.00 N ATOM 702 CA PHE A 82 11.958 2.074 1.334 1.00 0.00 C ATOM 703 C PHE A 82 10.710 1.951 2.203 1.00 0.00 C ATOM 704 O PHE A 82 10.751 1.371 3.289 1.00 0.00 O ATOM 705 CB PHE A 82 11.778 1.267 0.046 1.00 0.00 C ATOM 706 CG PHE A 82 11.442 -0.177 0.286 1.00 0.00 C ATOM 707 CD1 PHE A 82 12.393 -1.049 0.791 1.00 0.00 C ATOM 708 CD2 PHE A 82 10.175 -0.663 0.005 1.00 0.00 C ATOM 709 CE1 PHE A 82 12.087 -2.378 1.013 1.00 0.00 C ATOM 710 CE2 PHE A 82 9.863 -1.992 0.226 1.00 0.00 C ATOM 711 CZ PHE A 82 10.821 -2.850 0.729 1.00 0.00 C ATOM 0 H PHE A 82 12.989 0.796 2.638 1.00 0.00 H new ATOM 0 HA PHE A 82 12.100 3.124 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.987 1.722 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.694 1.326 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.385 -0.686 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.423 0.003 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.837 -3.047 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.871 -2.358 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.580 -3.889 0.900 1.00 0.00 H new ATOM 721 N TYR A 83 9.602 2.501 1.719 1.00 0.00 N ATOM 722 CA TYR A 83 8.343 2.456 2.452 1.00 0.00 C ATOM 723 C TYR A 83 7.161 2.704 1.520 1.00 0.00 C ATOM 724 O TYR A 83 7.044 3.771 0.917 1.00 0.00 O ATOM 725 CB TYR A 83 8.346 3.494 3.576 1.00 0.00 C ATOM 726 CG TYR A 83 7.439 3.136 4.732 1.00 0.00 C ATOM 727 CD1 TYR A 83 6.098 2.841 4.524 1.00 0.00 C ATOM 728 CD2 TYR A 83 7.925 3.092 6.033 1.00 0.00 C ATOM 729 CE1 TYR A 83 5.266 2.515 5.578 1.00 0.00 C ATOM 730 CE2 TYR A 83 7.101 2.765 7.093 1.00 0.00 C ATOM 731 CZ TYR A 83 5.773 2.478 6.860 1.00 0.00 C ATOM 732 OH TYR A 83 4.948 2.151 7.912 1.00 0.00 O ATOM 0 H TYR A 83 9.550 2.983 0.822 1.00 0.00 H new ATOM 0 HA TYR A 83 8.239 1.461 2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.364 3.613 3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.040 4.458 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.698 2.867 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.965 3.317 6.219 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.225 2.291 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.495 2.734 8.098 1.00 0.00 H new ATOM 0 HH TYR A 83 5.138 1.235 8.204 1.00 0.00 H new ATOM 742 N ILE A 84 6.287 1.709 1.407 1.00 0.00 N ATOM 743 CA ILE A 84 5.112 1.819 0.550 1.00 0.00 C ATOM 744 C ILE A 84 3.829 1.806 1.373 1.00 0.00 C ATOM 745 O ILE A 84 3.701 1.044 2.331 1.00 0.00 O ATOM 746 CB ILE A 84 5.060 0.676 -0.481 1.00 0.00 C ATOM 747 CG1 ILE A 84 6.321 0.683 -1.348 1.00 0.00 C ATOM 748 CG2 ILE A 84 3.815 0.800 -1.347 1.00 0.00 C ATOM 749 CD1 ILE A 84 6.663 -0.672 -1.927 1.00 0.00 C ATOM 0 H ILE A 84 6.370 0.819 1.897 1.00 0.00 H new ATOM 0 HA ILE A 84 5.192 2.770 0.023 1.00 0.00 H new ATOM 0 HB ILE A 84 5.015 -0.273 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.188 1.394 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.161 1.036 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.793 -0.015 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.927 0.750 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.832 1.754 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.568 -0.592 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.828 -1.383 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.840 -1.019 -2.552 1.00 0.00 H new ATOM 761 N ILE A 85 2.879 2.653 0.990 1.00 0.00 N ATOM 762 CA ILE A 85 1.604 2.737 1.691 1.00 0.00 C ATOM 763 C ILE A 85 0.443 2.851 0.708 1.00 0.00 C ATOM 764 O ILE A 85 0.271 3.879 0.053 1.00 0.00 O ATOM 765 CB ILE A 85 1.567 3.940 2.652 1.00 0.00 C ATOM 766 CG1 ILE A 85 2.723 3.857 3.651 1.00 0.00 C ATOM 767 CG2 ILE A 85 0.233 3.996 3.381 1.00 0.00 C ATOM 768 CD1 ILE A 85 3.056 5.181 4.302 1.00 0.00 C ATOM 0 H ILE A 85 2.968 3.290 0.199 1.00 0.00 H new ATOM 0 HA ILE A 85 1.501 1.818 2.268 1.00 0.00 H new ATOM 0 HB ILE A 85 1.679 4.855 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.471 3.133 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.608 3.480 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.223 4.852 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.574 4.097 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.093 3.080 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.884 5.046 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.339 5.902 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.184 5.550 4.843 1.00 0.00 H new ATOM 780 N GLN A 86 -0.350 1.789 0.612 1.00 0.00 N ATOM 781 CA GLN A 86 -1.496 1.771 -0.290 1.00 0.00 C ATOM 782 C GLN A 86 -2.797 1.591 0.486 1.00 0.00 C ATOM 783 O GLN A 86 -2.820 0.958 1.542 1.00 0.00 O ATOM 784 CB GLN A 86 -1.343 0.650 -1.319 1.00 0.00 C ATOM 785 CG GLN A 86 -0.450 1.019 -2.493 1.00 0.00 C ATOM 786 CD GLN A 86 -0.889 0.365 -3.788 1.00 0.00 C ATOM 787 OE1 GLN A 86 -1.912 0.732 -4.367 1.00 0.00 O ATOM 788 NE2 GLN A 86 -0.115 -0.610 -4.251 1.00 0.00 N ATOM 0 H GLN A 86 -0.220 0.930 1.147 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.534 2.729 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.934 -0.232 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.329 0.376 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -0.451 2.102 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.576 0.724 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.724 -0.882 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.360 -1.087 -5.119 1.00 0.00 H new ATOM 797 N LEU A 87 -3.878 2.152 -0.045 1.00 0.00 N ATOM 798 CA LEU A 87 -5.184 2.055 0.598 1.00 0.00 C ATOM 799 C LEU A 87 -6.063 1.028 -0.109 1.00 0.00 C ATOM 800 O LEU A 87 -6.539 1.263 -1.221 1.00 0.00 O ATOM 801 CB LEU A 87 -5.876 3.419 0.602 1.00 0.00 C ATOM 802 CG LEU A 87 -6.967 3.615 1.655 1.00 0.00 C ATOM 803 CD1 LEU A 87 -7.051 5.075 2.071 1.00 0.00 C ATOM 804 CD2 LEU A 87 -8.310 3.131 1.129 1.00 0.00 C ATOM 0 H LEU A 87 -3.876 2.678 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.032 1.730 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.117 4.188 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.315 3.584 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.708 3.022 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.833 5.195 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.095 5.390 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.285 5.688 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.074 3.278 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.576 3.696 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.244 2.071 0.882 1.00 0.00 H new ATOM 816 N LEU A 88 -6.277 -0.109 0.543 1.00 0.00 N ATOM 817 CA LEU A 88 -7.101 -1.172 -0.022 1.00 0.00 C ATOM 818 C LEU A 88 -8.537 -1.073 0.483 1.00 0.00 C ATOM 819 O LEU A 88 -8.781 -0.633 1.606 1.00 0.00 O ATOM 820 CB LEU A 88 -6.517 -2.541 0.333 1.00 0.00 C ATOM 821 CG LEU A 88 -5.012 -2.705 0.117 1.00 0.00 C ATOM 822 CD1 LEU A 88 -4.526 -4.013 0.720 1.00 0.00 C ATOM 823 CD2 LEU A 88 -4.676 -2.641 -1.366 1.00 0.00 C ATOM 0 H LEU A 88 -5.891 -0.319 1.464 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.107 -1.057 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.738 -2.748 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.033 -3.298 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.500 -1.885 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.453 -4.112 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.732 -4.019 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.044 -4.847 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.601 -2.759 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.198 -3.440 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.988 -1.677 -1.769 1.00 0.00 H new ATOM 835 N GLN A 89 -9.483 -1.488 -0.355 1.00 0.00 N ATOM 836 CA GLN A 89 -10.895 -1.447 0.008 1.00 0.00 C ATOM 837 C GLN A 89 -11.575 -2.777 -0.301 1.00 0.00 C ATOM 838 O GLN A 89 -11.673 -3.181 -1.460 1.00 0.00 O ATOM 839 CB GLN A 89 -11.602 -0.314 -0.738 1.00 0.00 C ATOM 840 CG GLN A 89 -13.115 -0.339 -0.591 1.00 0.00 C ATOM 841 CD GLN A 89 -13.826 0.314 -1.759 1.00 0.00 C ATOM 842 OE1 GLN A 89 -13.471 0.097 -2.917 1.00 0.00 O ATOM 843 NE2 GLN A 89 -14.838 1.121 -1.460 1.00 0.00 N ATOM 0 H GLN A 89 -9.297 -1.856 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.964 -1.265 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.226 0.641 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.347 -0.373 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.450 -1.372 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.395 0.171 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.099 1.273 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.354 1.589 -2.205 1.00 0.00 H new ATOM 852 N ASP A 90 -12.041 -3.453 0.743 1.00 0.00 N ATOM 853 CA ASP A 90 -12.713 -4.737 0.584 1.00 0.00 C ATOM 854 C ASP A 90 -14.172 -4.542 0.185 1.00 0.00 C ATOM 855 O ASP A 90 -14.699 -3.431 0.244 1.00 0.00 O ATOM 856 CB ASP A 90 -12.629 -5.545 1.879 1.00 0.00 C ATOM 857 CG ASP A 90 -12.709 -7.040 1.636 1.00 0.00 C ATOM 858 OD1 ASP A 90 -11.810 -7.580 0.957 1.00 0.00 O ATOM 859 OD2 ASP A 90 -13.669 -7.669 2.126 1.00 0.00 O ATOM 0 H ASP A 90 -11.966 -3.133 1.709 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.209 -5.286 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.694 -5.312 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.438 -5.244 2.544 1.00 0.00 H new ATOM 864 N SER A 91 -14.820 -5.629 -0.221 1.00 0.00 N ATOM 865 CA SER A 91 -16.218 -5.576 -0.634 1.00 0.00 C ATOM 866 C SER A 91 -17.138 -5.463 0.577 1.00 0.00 C ATOM 867 O SER A 91 -18.292 -5.054 0.457 1.00 0.00 O ATOM 868 CB SER A 91 -16.578 -6.821 -1.448 1.00 0.00 C ATOM 869 OG SER A 91 -17.899 -6.733 -1.956 1.00 0.00 O ATOM 0 H SER A 91 -14.400 -6.557 -0.273 1.00 0.00 H new ATOM 0 HA SER A 91 -16.355 -4.691 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.875 -6.936 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.484 -7.708 -0.822 1.00 0.00 H new ATOM 0 HG SER A 91 -18.105 -7.539 -2.474 1.00 0.00 H new ATOM 875 N ASN A 92 -16.618 -5.829 1.744 1.00 0.00 N ATOM 876 CA ASN A 92 -17.392 -5.769 2.979 1.00 0.00 C ATOM 877 C ASN A 92 -17.208 -4.423 3.672 1.00 0.00 C ATOM 878 O ASN A 92 -17.027 -4.359 4.888 1.00 0.00 O ATOM 879 CB ASN A 92 -16.977 -6.901 3.921 1.00 0.00 C ATOM 880 CG ASN A 92 -17.794 -8.161 3.706 1.00 0.00 C ATOM 881 OD1 ASN A 92 -18.897 -8.113 3.161 1.00 0.00 O ATOM 882 ND2 ASN A 92 -17.255 -9.296 4.134 1.00 0.00 N ATOM 0 H ASN A 92 -15.664 -6.170 1.861 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.445 -5.885 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.921 -7.126 3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.089 -6.570 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.758 -10.176 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.338 -9.289 4.580 1.00 0.00 H new ATOM 889 N ARG A 93 -17.256 -3.349 2.890 1.00 0.00 N ATOM 890 CA ARG A 93 -17.094 -2.004 3.428 1.00 0.00 C ATOM 891 C ARG A 93 -15.971 -1.963 4.461 1.00 0.00 C ATOM 892 O ARG A 93 -16.091 -1.310 5.497 1.00 0.00 O ATOM 893 CB ARG A 93 -18.401 -1.524 4.061 1.00 0.00 C ATOM 894 CG ARG A 93 -19.612 -1.688 3.156 1.00 0.00 C ATOM 895 CD ARG A 93 -20.882 -1.914 3.961 1.00 0.00 C ATOM 896 NE ARG A 93 -22.016 -2.260 3.108 1.00 0.00 N ATOM 897 CZ ARG A 93 -22.218 -3.475 2.611 1.00 0.00 C ATOM 898 NH1 ARG A 93 -21.367 -4.456 2.882 1.00 0.00 N ATOM 899 NH2 ARG A 93 -23.274 -3.712 1.843 1.00 0.00 N ATOM 0 H ARG A 93 -17.406 -3.385 1.882 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.832 -1.340 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -18.571 -2.076 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -18.300 -0.473 4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -19.727 -0.799 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -19.453 -2.530 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -20.716 -2.712 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -21.117 -1.013 4.529 1.00 0.00 H new ATOM 0 HE ARG A 93 -22.690 -1.528 2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -20.555 -4.278 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -21.525 -5.388 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -23.931 -2.961 1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -23.428 -4.645 1.462 1.00 0.00 H new ATOM 913 N PHE A 94 -14.881 -2.666 4.171 1.00 0.00 N ATOM 914 CA PHE A 94 -13.738 -2.712 5.075 1.00 0.00 C ATOM 915 C PHE A 94 -12.437 -2.458 4.319 1.00 0.00 C ATOM 916 O PHE A 94 -12.050 -3.237 3.447 1.00 0.00 O ATOM 917 CB PHE A 94 -13.674 -4.067 5.782 1.00 0.00 C ATOM 918 CG PHE A 94 -14.917 -4.397 6.558 1.00 0.00 C ATOM 919 CD1 PHE A 94 -15.606 -3.408 7.242 1.00 0.00 C ATOM 920 CD2 PHE A 94 -15.396 -5.696 6.605 1.00 0.00 C ATOM 921 CE1 PHE A 94 -16.751 -3.708 7.956 1.00 0.00 C ATOM 922 CE2 PHE A 94 -16.540 -6.002 7.317 1.00 0.00 C ATOM 923 CZ PHE A 94 -17.218 -5.007 7.995 1.00 0.00 C ATOM 0 H PHE A 94 -14.765 -3.212 3.317 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.864 -1.927 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.500 -4.847 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -12.820 -4.075 6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -15.244 -2.391 7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.869 -6.479 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -17.280 -2.927 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -16.904 -7.018 7.344 1.00 0.00 H new ATOM 0 HZ PHE A 94 -18.111 -5.245 8.554 1.00 0.00 H new ATOM 933 N PHE A 95 -11.766 -1.363 4.659 1.00 0.00 N ATOM 934 CA PHE A 95 -10.508 -1.005 4.013 1.00 0.00 C ATOM 935 C PHE A 95 -9.319 -1.567 4.786 1.00 0.00 C ATOM 936 O PHE A 95 -9.462 -2.027 5.920 1.00 0.00 O ATOM 937 CB PHE A 95 -10.384 0.516 3.899 1.00 0.00 C ATOM 938 CG PHE A 95 -11.515 1.155 3.145 1.00 0.00 C ATOM 939 CD1 PHE A 95 -12.783 1.225 3.700 1.00 0.00 C ATOM 940 CD2 PHE A 95 -11.311 1.686 1.882 1.00 0.00 C ATOM 941 CE1 PHE A 95 -13.826 1.813 3.010 1.00 0.00 C ATOM 942 CE2 PHE A 95 -12.350 2.275 1.187 1.00 0.00 C ATOM 943 CZ PHE A 95 -13.609 2.338 1.751 1.00 0.00 C ATOM 0 H PHE A 95 -12.072 -0.708 5.378 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.506 -1.439 3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.337 0.945 4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.444 0.760 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.958 0.815 4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.329 1.639 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.809 1.862 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -12.178 2.686 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 95 -14.422 2.797 1.209 1.00 0.00 H new ATOM 953 N THR A 96 -8.145 -1.528 4.165 1.00 0.00 N ATOM 954 CA THR A 96 -6.931 -2.035 4.792 1.00 0.00 C ATOM 955 C THR A 96 -5.710 -1.237 4.351 1.00 0.00 C ATOM 956 O THR A 96 -5.413 -1.147 3.159 1.00 0.00 O ATOM 957 CB THR A 96 -6.706 -3.522 4.460 1.00 0.00 C ATOM 958 OG1 THR A 96 -7.848 -4.291 4.855 1.00 0.00 O ATOM 959 CG2 THR A 96 -5.464 -4.051 5.163 1.00 0.00 C ATOM 0 H THR A 96 -8.009 -1.150 3.227 1.00 0.00 H new ATOM 0 HA THR A 96 -7.063 -1.927 5.869 1.00 0.00 H new ATOM 0 HB THR A 96 -6.562 -3.614 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.697 -5.235 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.325 -5.103 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.592 -3.483 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.584 -3.946 6.241 1.00 0.00 H new ATOM 967 N CYS A 97 -5.005 -0.660 5.317 1.00 0.00 N ATOM 968 CA CYS A 97 -3.814 0.131 5.028 1.00 0.00 C ATOM 969 C CYS A 97 -2.569 -0.749 5.002 1.00 0.00 C ATOM 970 O CYS A 97 -2.091 -1.195 6.045 1.00 0.00 O ATOM 971 CB CYS A 97 -3.648 1.240 6.068 1.00 0.00 C ATOM 972 SG CYS A 97 -4.777 2.635 5.846 1.00 0.00 S ATOM 0 H CYS A 97 -5.237 -0.725 6.308 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.938 0.582 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.800 0.818 7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.622 1.607 6.031 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.556 2.732 6.882 1.00 0.00 H new ATOM 978 N TRP A 98 -2.051 -0.996 3.805 1.00 0.00 N ATOM 979 CA TRP A 98 -0.862 -1.826 3.643 1.00 0.00 C ATOM 980 C TRP A 98 0.407 -0.992 3.788 1.00 0.00 C ATOM 981 O TRP A 98 0.624 -0.041 3.039 1.00 0.00 O ATOM 982 CB TRP A 98 -0.879 -2.518 2.279 1.00 0.00 C ATOM 983 CG TRP A 98 0.446 -3.104 1.894 1.00 0.00 C ATOM 984 CD1 TRP A 98 1.322 -2.612 0.969 1.00 0.00 C ATOM 985 CD2 TRP A 98 1.043 -4.293 2.423 1.00 0.00 C ATOM 986 NE1 TRP A 98 2.427 -3.424 0.890 1.00 0.00 N ATOM 987 CE2 TRP A 98 2.281 -4.461 1.772 1.00 0.00 C ATOM 988 CE3 TRP A 98 0.654 -5.230 3.383 1.00 0.00 C ATOM 989 CZ2 TRP A 98 3.130 -5.529 2.053 1.00 0.00 C ATOM 990 CZ3 TRP A 98 1.497 -6.290 3.660 1.00 0.00 C ATOM 991 CH2 TRP A 98 2.723 -6.432 2.997 1.00 0.00 C ATOM 0 H TRP A 98 -2.435 -0.634 2.932 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.869 -2.584 4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -1.629 -3.309 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -1.185 -1.799 1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.168 -1.716 0.385 1.00 0.00 H new ATOM 0 HE1 TRP A 98 3.227 -3.278 0.274 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.289 -5.128 3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 4.076 -5.640 1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 1.206 -7.021 4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.360 -7.271 3.236 1.00 0.00 H new ATOM 1002 N ASN A 99 1.241 -1.356 4.757 1.00 0.00 N ATOM 1003 CA ASN A 99 2.489 -0.641 5.000 1.00 0.00 C ATOM 1004 C ASN A 99 3.683 -1.587 4.917 1.00 0.00 C ATOM 1005 O ASN A 99 3.887 -2.424 5.797 1.00 0.00 O ATOM 1006 CB ASN A 99 2.454 0.036 6.371 1.00 0.00 C ATOM 1007 CG ASN A 99 1.849 1.426 6.315 1.00 0.00 C ATOM 1008 OD1 ASN A 99 0.642 1.523 5.769 1.00 0.00 O flip ATOM 1009 ND2 ASN A 99 2.459 2.399 6.756 1.00 0.00 N flip ATOM 0 H ASN A 99 1.075 -2.141 5.386 1.00 0.00 H new ATOM 0 HA ASN A 99 2.598 0.121 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.879 -0.580 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.467 0.100 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.385 2.277 7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.039 3.328 6.711 1.00 0.00 H new ATOM 1016 N ARG A 100 4.470 -1.447 3.855 1.00 0.00 N ATOM 1017 CA ARG A 100 5.643 -2.289 3.658 1.00 0.00 C ATOM 1018 C ARG A 100 6.921 -1.455 3.681 1.00 0.00 C ATOM 1019 O ARG A 100 7.032 -0.452 2.976 1.00 0.00 O ATOM 1020 CB ARG A 100 5.539 -3.043 2.331 1.00 0.00 C ATOM 1021 CG ARG A 100 6.773 -3.866 1.999 1.00 0.00 C ATOM 1022 CD ARG A 100 6.745 -4.355 0.559 1.00 0.00 C ATOM 1023 NE ARG A 100 8.088 -4.505 0.006 1.00 0.00 N ATOM 1024 CZ ARG A 100 8.349 -4.519 -1.297 1.00 0.00 C ATOM 1025 NH1 ARG A 100 7.364 -4.392 -2.175 1.00 0.00 N ATOM 1026 NH2 ARG A 100 9.598 -4.658 -1.723 1.00 0.00 N ATOM 0 H ARG A 100 4.316 -0.759 3.118 1.00 0.00 H new ATOM 0 HA ARG A 100 5.684 -3.009 4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.671 -3.702 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.364 -2.326 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.668 -3.265 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.834 -4.720 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.224 -5.311 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.178 -3.652 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 100 8.868 -4.604 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.403 -4.283 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.567 -4.403 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.359 -4.754 -1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.797 -4.669 -2.723 1.00 0.00 H new ATOM 1040 N TRP A 101 7.881 -1.876 4.496 1.00 0.00 N ATOM 1041 CA TRP A 101 9.150 -1.167 4.612 1.00 0.00 C ATOM 1042 C TRP A 101 10.303 -2.145 4.816 1.00 0.00 C ATOM 1043 O TRP A 101 10.091 -3.349 4.955 1.00 0.00 O ATOM 1044 CB TRP A 101 9.099 -0.172 5.772 1.00 0.00 C ATOM 1045 CG TRP A 101 9.023 -0.830 7.117 1.00 0.00 C ATOM 1046 CD1 TRP A 101 10.055 -1.390 7.814 1.00 0.00 C ATOM 1047 CD2 TRP A 101 7.853 -0.998 7.924 1.00 0.00 C ATOM 1048 NE1 TRP A 101 9.597 -1.896 9.007 1.00 0.00 N ATOM 1049 CE2 TRP A 101 8.250 -1.667 9.099 1.00 0.00 C ATOM 1050 CE3 TRP A 101 6.509 -0.646 7.771 1.00 0.00 C ATOM 1051 CZ2 TRP A 101 7.350 -1.992 10.110 1.00 0.00 C ATOM 1052 CZ3 TRP A 101 5.617 -0.968 8.776 1.00 0.00 C ATOM 1053 CH2 TRP A 101 6.040 -1.635 9.934 1.00 0.00 C ATOM 0 H TRP A 101 7.805 -2.704 5.086 1.00 0.00 H new ATOM 0 HA TRP A 101 9.319 -0.622 3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 101 9.984 0.463 5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.234 0.479 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.080 -1.430 7.477 1.00 0.00 H new ATOM 0 HE1 TRP A 101 10.168 -2.366 9.710 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.174 -0.131 6.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.674 -2.508 11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 4.576 -0.701 8.667 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.319 -1.872 10.702 1.00 0.00 H new ATOM 1064 N GLY A 102 11.524 -1.619 4.833 1.00 0.00 N ATOM 1065 CA GLY A 102 12.691 -2.460 5.020 1.00 0.00 C ATOM 1066 C GLY A 102 13.866 -2.020 4.169 1.00 0.00 C ATOM 1067 O GLY A 102 13.977 -0.848 3.811 1.00 0.00 O ATOM 0 H GLY A 102 11.725 -0.625 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.981 -2.445 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.435 -3.491 4.775 1.00 0.00 H new ATOM 1071 N ARG A 103 14.745 -2.962 3.845 1.00 0.00 N ATOM 1072 CA ARG A 103 15.919 -2.665 3.032 1.00 0.00 C ATOM 1073 C ARG A 103 15.568 -2.673 1.547 1.00 0.00 C ATOM 1074 O ARG A 103 14.970 -3.624 1.045 1.00 0.00 O ATOM 1075 CB ARG A 103 17.029 -3.681 3.311 1.00 0.00 C ATOM 1076 CG ARG A 103 17.970 -3.263 4.428 1.00 0.00 C ATOM 1077 CD ARG A 103 19.365 -3.832 4.223 1.00 0.00 C ATOM 1078 NE ARG A 103 20.082 -3.992 5.486 1.00 0.00 N ATOM 1079 CZ ARG A 103 19.900 -5.018 6.309 1.00 0.00 C ATOM 1080 NH1 ARG A 103 19.028 -5.970 6.005 1.00 0.00 N ATOM 1081 NH2 ARG A 103 20.590 -5.094 7.440 1.00 0.00 N ATOM 0 H ARG A 103 14.667 -3.937 4.133 1.00 0.00 H new ATOM 0 HA ARG A 103 16.272 -1.669 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 103 16.577 -4.639 3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.606 -3.835 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.023 -2.175 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.574 -3.603 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.293 -4.798 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 103 19.932 -3.173 3.565 1.00 0.00 H new ATOM 0 HE ARG A 103 20.759 -3.276 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 103 18.495 -5.915 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.890 -6.757 6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 103 21.261 -4.364 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 103 20.449 -5.883 8.071 1.00 0.00 H new ATOM 1095 N VAL A 104 15.944 -1.605 0.850 1.00 0.00 N ATOM 1096 CA VAL A 104 15.670 -1.489 -0.577 1.00 0.00 C ATOM 1097 C VAL A 104 16.095 -2.748 -1.323 1.00 0.00 C ATOM 1098 O VAL A 104 17.249 -3.168 -1.246 1.00 0.00 O ATOM 1099 CB VAL A 104 16.392 -0.274 -1.190 1.00 0.00 C ATOM 1100 CG1 VAL A 104 16.148 -0.208 -2.690 1.00 0.00 C ATOM 1101 CG2 VAL A 104 15.941 1.011 -0.512 1.00 0.00 C ATOM 0 H VAL A 104 16.439 -0.808 1.251 1.00 0.00 H new ATOM 0 HA VAL A 104 14.593 -1.354 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 104 17.463 -0.389 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 104 16.666 0.657 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 104 16.524 -1.117 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.079 -0.117 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 104 16.461 1.859 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 104 14.866 1.134 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 104 16.172 0.962 0.552 1.00 0.00 H new ATOM 1111 N GLY A 105 15.154 -3.348 -2.046 1.00 0.00 N ATOM 1112 CA GLY A 105 15.451 -4.554 -2.796 1.00 0.00 C ATOM 1113 C GLY A 105 14.817 -5.788 -2.185 1.00 0.00 C ATOM 1114 O GLY A 105 14.301 -6.646 -2.900 1.00 0.00 O ATOM 0 H GLY A 105 14.191 -3.020 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.098 -4.437 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.531 -4.691 -2.845 1.00 0.00 H new ATOM 1118 N GLU A 106 14.857 -5.877 -0.859 1.00 0.00 N ATOM 1119 CA GLU A 106 14.283 -7.016 -0.153 1.00 0.00 C ATOM 1120 C GLU A 106 12.929 -6.656 0.452 1.00 0.00 C ATOM 1121 O GLU A 106 12.723 -5.534 0.915 1.00 0.00 O ATOM 1122 CB GLU A 106 15.234 -7.495 0.945 1.00 0.00 C ATOM 1123 CG GLU A 106 15.223 -6.618 2.185 1.00 0.00 C ATOM 1124 CD GLU A 106 15.747 -7.337 3.413 1.00 0.00 C ATOM 1125 OE1 GLU A 106 15.729 -8.585 3.424 1.00 0.00 O ATOM 1126 OE2 GLU A 106 16.176 -6.650 4.364 1.00 0.00 O ATOM 0 H GLU A 106 15.281 -5.174 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 106 14.136 -7.821 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.966 -8.513 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.247 -7.532 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.828 -5.730 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.205 -6.277 2.375 1.00 0.00 H new ATOM 1133 N VAL A 107 12.010 -7.616 0.445 1.00 0.00 N ATOM 1134 CA VAL A 107 10.676 -7.402 0.994 1.00 0.00 C ATOM 1135 C VAL A 107 10.743 -6.665 2.327 1.00 0.00 C ATOM 1136 O VAL A 107 9.997 -5.714 2.560 1.00 0.00 O ATOM 1137 CB VAL A 107 9.931 -8.735 1.193 1.00 0.00 C ATOM 1138 CG1 VAL A 107 8.563 -8.494 1.815 1.00 0.00 C ATOM 1139 CG2 VAL A 107 9.802 -9.476 -0.129 1.00 0.00 C ATOM 0 H VAL A 107 12.165 -8.550 0.065 1.00 0.00 H new ATOM 0 HA VAL A 107 10.130 -6.794 0.273 1.00 0.00 H new ATOM 0 HB VAL A 107 10.510 -9.357 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.051 -9.447 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.684 -8.009 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.973 -7.854 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.273 -10.416 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.246 -8.862 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.795 -9.682 -0.529 1.00 0.00 H new ATOM 1149 N GLY A 108 11.642 -7.110 3.199 1.00 0.00 N ATOM 1150 CA GLY A 108 11.789 -6.480 4.498 1.00 0.00 C ATOM 1151 C GLY A 108 10.653 -6.824 5.441 1.00 0.00 C ATOM 1152 O GLY A 108 10.139 -7.942 5.422 1.00 0.00 O ATOM 0 H GLY A 108 12.271 -7.895 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.734 -6.790 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.837 -5.399 4.371 1.00 0.00 H new ATOM 1156 N GLN A 109 10.262 -5.861 6.270 1.00 0.00 N ATOM 1157 CA GLN A 109 9.181 -6.069 7.226 1.00 0.00 C ATOM 1158 C GLN A 109 7.823 -5.840 6.571 1.00 0.00 C ATOM 1159 O GLN A 109 7.716 -5.124 5.576 1.00 0.00 O ATOM 1160 CB GLN A 109 9.346 -5.134 8.426 1.00 0.00 C ATOM 1161 CG GLN A 109 10.531 -5.484 9.311 1.00 0.00 C ATOM 1162 CD GLN A 109 11.862 -5.167 8.657 1.00 0.00 C ATOM 1163 OE1 GLN A 109 12.581 -6.066 8.220 1.00 0.00 O ATOM 1164 NE2 GLN A 109 12.197 -3.885 8.587 1.00 0.00 N ATOM 0 H GLN A 109 10.677 -4.930 6.299 1.00 0.00 H new ATOM 0 HA GLN A 109 9.228 -7.102 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.461 -4.112 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 109 8.436 -5.161 9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.452 -4.936 10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.495 -6.545 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.570 -3.173 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.081 -3.612 8.158 1.00 0.00 H new ATOM 1173 N SER A 110 6.788 -6.454 7.136 1.00 0.00 N ATOM 1174 CA SER A 110 5.437 -6.320 6.604 1.00 0.00 C ATOM 1175 C SER A 110 4.467 -5.868 7.691 1.00 0.00 C ATOM 1176 O SER A 110 4.437 -6.430 8.786 1.00 0.00 O ATOM 1177 CB SER A 110 4.968 -7.648 6.006 1.00 0.00 C ATOM 1178 OG SER A 110 5.008 -8.685 6.972 1.00 0.00 O ATOM 0 H SER A 110 6.859 -7.049 7.962 1.00 0.00 H new ATOM 0 HA SER A 110 5.455 -5.563 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.952 -7.540 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.600 -7.912 5.158 1.00 0.00 H new ATOM 0 HG SER A 110 4.702 -9.523 6.566 1.00 0.00 H new ATOM 1184 N LYS A 111 3.676 -4.847 7.381 1.00 0.00 N ATOM 1185 CA LYS A 111 2.703 -4.317 8.329 1.00 0.00 C ATOM 1186 C LYS A 111 1.371 -4.034 7.641 1.00 0.00 C ATOM 1187 O LYS A 111 1.308 -3.260 6.686 1.00 0.00 O ATOM 1188 CB LYS A 111 3.236 -3.038 8.978 1.00 0.00 C ATOM 1189 CG LYS A 111 2.574 -2.706 10.304 1.00 0.00 C ATOM 1190 CD LYS A 111 2.903 -3.742 11.366 1.00 0.00 C ATOM 1191 CE LYS A 111 2.728 -3.178 12.768 1.00 0.00 C ATOM 1192 NZ LYS A 111 3.341 -4.059 13.800 1.00 0.00 N ATOM 0 H LYS A 111 3.690 -4.369 6.480 1.00 0.00 H new ATOM 0 HA LYS A 111 2.540 -5.068 9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.310 -3.140 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.091 -2.204 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.903 -1.722 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.494 -2.652 10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.258 -4.612 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.930 -4.085 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.181 -2.188 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.666 -3.055 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.201 -3.640 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.892 -4.996 13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.359 -4.156 13.613 1.00 0.00 H new ATOM 1206 N ILE A 112 0.310 -4.664 8.134 1.00 0.00 N ATOM 1207 CA ILE A 112 -1.020 -4.476 7.568 1.00 0.00 C ATOM 1208 C ILE A 112 -2.020 -4.057 8.640 1.00 0.00 C ATOM 1209 O ILE A 112 -2.042 -4.618 9.736 1.00 0.00 O ATOM 1210 CB ILE A 112 -1.526 -5.760 6.883 1.00 0.00 C ATOM 1211 CG1 ILE A 112 -2.683 -5.436 5.936 1.00 0.00 C ATOM 1212 CG2 ILE A 112 -1.957 -6.781 7.925 1.00 0.00 C ATOM 1213 CD1 ILE A 112 -3.025 -6.566 4.991 1.00 0.00 C ATOM 0 H ILE A 112 0.346 -5.309 8.924 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.937 -3.684 6.823 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.712 -6.188 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.565 -5.187 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.428 -4.551 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.312 -7.683 7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.109 -7.030 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.759 -6.363 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.854 -6.266 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.157 -6.801 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.312 -7.447 5.566 1.00 0.00 H new ATOM 1225 N ASN A 113 -2.848 -3.070 8.316 1.00 0.00 N ATOM 1226 CA ASN A 113 -3.852 -2.576 9.252 1.00 0.00 C ATOM 1227 C ASN A 113 -5.250 -2.665 8.646 1.00 0.00 C ATOM 1228 O ASN A 113 -5.442 -2.394 7.460 1.00 0.00 O ATOM 1229 CB ASN A 113 -3.546 -1.130 9.645 1.00 0.00 C ATOM 1230 CG ASN A 113 -2.303 -1.016 10.507 1.00 0.00 C ATOM 1231 OD1 ASN A 113 -1.188 -0.906 9.996 1.00 0.00 O ATOM 1232 ND2 ASN A 113 -2.490 -1.043 11.821 1.00 0.00 N ATOM 0 H ASN A 113 -2.844 -2.596 7.413 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.820 -3.202 10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.416 -0.531 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -4.398 -0.715 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.691 -0.971 12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.432 -1.136 12.200 1.00 0.00 H new ATOM 1239 N HIS A 114 -6.222 -3.045 9.469 1.00 0.00 N ATOM 1240 CA HIS A 114 -7.603 -3.168 9.015 1.00 0.00 C ATOM 1241 C HIS A 114 -8.474 -2.071 9.620 1.00 0.00 C ATOM 1242 O HIS A 114 -8.414 -1.808 10.821 1.00 0.00 O ATOM 1243 CB HIS A 114 -8.163 -4.542 9.384 1.00 0.00 C ATOM 1244 CG HIS A 114 -7.251 -5.675 9.030 1.00 0.00 C ATOM 1245 ND1 HIS A 114 -7.285 -6.315 7.809 1.00 0.00 N ATOM 1246 CD2 HIS A 114 -6.274 -6.282 9.744 1.00 0.00 C ATOM 1247 CE1 HIS A 114 -6.370 -7.268 7.788 1.00 0.00 C ATOM 1248 NE2 HIS A 114 -5.742 -7.268 8.950 1.00 0.00 N ATOM 0 H HIS A 114 -6.079 -3.273 10.453 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.614 -3.059 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.362 -4.568 10.455 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.118 -4.684 8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.970 -6.036 10.751 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.170 -7.934 6.961 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -4.985 -7.898 9.215 1.00 0.00 H new ATOM 1256 N PHE A 115 -9.282 -1.432 8.780 1.00 0.00 N ATOM 1257 CA PHE A 115 -10.164 -0.362 9.232 1.00 0.00 C ATOM 1258 C PHE A 115 -11.586 -0.578 8.722 1.00 0.00 C ATOM 1259 O PHE A 115 -11.811 -0.736 7.522 1.00 0.00 O ATOM 1260 CB PHE A 115 -9.640 0.994 8.757 1.00 0.00 C ATOM 1261 CG PHE A 115 -8.296 1.351 9.326 1.00 0.00 C ATOM 1262 CD1 PHE A 115 -8.162 1.687 10.663 1.00 0.00 C ATOM 1263 CD2 PHE A 115 -7.166 1.348 8.523 1.00 0.00 C ATOM 1264 CE1 PHE A 115 -6.927 2.016 11.188 1.00 0.00 C ATOM 1265 CE2 PHE A 115 -5.928 1.676 9.043 1.00 0.00 C ATOM 1266 CZ PHE A 115 -5.809 2.009 10.378 1.00 0.00 C ATOM 0 H PHE A 115 -9.344 -1.637 7.783 1.00 0.00 H new ATOM 0 HA PHE A 115 -10.182 -0.375 10.322 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -9.575 0.988 7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -10.358 1.768 9.029 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.032 1.692 11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.254 1.086 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.836 2.279 12.232 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.055 1.672 8.407 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.843 2.264 10.788 1.00 0.00 H new ATOM 1276 N THR A 116 -12.544 -0.584 9.644 1.00 0.00 N ATOM 1277 CA THR A 116 -13.944 -0.782 9.290 1.00 0.00 C ATOM 1278 C THR A 116 -14.482 0.402 8.495 1.00 0.00 C ATOM 1279 O THR A 116 -15.243 0.228 7.543 1.00 0.00 O ATOM 1280 CB THR A 116 -14.817 -0.984 10.543 1.00 0.00 C ATOM 1281 OG1 THR A 116 -14.710 0.155 11.404 1.00 0.00 O ATOM 1282 CG2 THR A 116 -14.399 -2.237 11.297 1.00 0.00 C ATOM 0 H THR A 116 -12.376 -0.454 10.642 1.00 0.00 H new ATOM 0 HA THR A 116 -13.991 -1.681 8.675 1.00 0.00 H new ATOM 0 HB THR A 116 -15.852 -1.100 10.222 1.00 0.00 H new ATOM 0 HG1 THR A 116 -15.269 0.019 12.197 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.029 -2.359 12.178 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.510 -3.106 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.358 -2.145 11.606 1.00 0.00 H new ATOM 1290 N ARG A 117 -14.083 1.606 8.892 1.00 0.00 N ATOM 1291 CA ARG A 117 -14.527 2.820 8.217 1.00 0.00 C ATOM 1292 C ARG A 117 -13.564 3.201 7.097 1.00 0.00 C ATOM 1293 O ARG A 117 -12.481 2.628 6.972 1.00 0.00 O ATOM 1294 CB ARG A 117 -14.645 3.971 9.217 1.00 0.00 C ATOM 1295 CG ARG A 117 -16.018 4.080 9.860 1.00 0.00 C ATOM 1296 CD ARG A 117 -16.178 5.392 10.613 1.00 0.00 C ATOM 1297 NE ARG A 117 -16.640 6.470 9.743 1.00 0.00 N ATOM 1298 CZ ARG A 117 -17.917 6.678 9.446 1.00 0.00 C ATOM 1299 NH1 ARG A 117 -18.855 5.886 9.946 1.00 0.00 N ATOM 1300 NH2 ARG A 117 -18.259 7.680 8.646 1.00 0.00 N ATOM 0 H ARG A 117 -13.453 1.767 9.678 1.00 0.00 H new ATOM 0 HA ARG A 117 -15.507 2.626 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -13.896 3.841 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -14.416 4.908 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -16.788 4.004 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -16.167 3.245 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -16.887 5.257 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -15.224 5.671 11.061 1.00 0.00 H new ATOM 0 HE ARG A 117 -15.943 7.098 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -18.596 5.114 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -19.835 6.048 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -17.540 8.291 8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -19.241 7.839 8.419 1.00 0.00 H new ATOM 1314 N LEU A 118 -13.965 4.172 6.284 1.00 0.00 N ATOM 1315 CA LEU A 118 -13.138 4.631 5.173 1.00 0.00 C ATOM 1316 C LEU A 118 -12.302 5.841 5.579 1.00 0.00 C ATOM 1317 O LEU A 118 -11.093 5.874 5.357 1.00 0.00 O ATOM 1318 CB LEU A 118 -14.015 4.983 3.970 1.00 0.00 C ATOM 1319 CG LEU A 118 -13.333 5.769 2.850 1.00 0.00 C ATOM 1320 CD1 LEU A 118 -12.127 5.008 2.321 1.00 0.00 C ATOM 1321 CD2 LEU A 118 -14.317 6.059 1.726 1.00 0.00 C ATOM 0 H LEU A 118 -14.858 4.657 6.373 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.462 3.822 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.409 4.058 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.869 5.561 4.325 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.987 6.719 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.655 5.583 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.412 4.852 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.449 4.043 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.814 6.619 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.693 5.120 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.150 6.646 2.114 1.00 0.00 H new ATOM 1333 N GLU A 119 -12.957 6.831 6.178 1.00 0.00 N ATOM 1334 CA GLU A 119 -12.273 8.042 6.616 1.00 0.00 C ATOM 1335 C GLU A 119 -11.087 7.702 7.515 1.00 0.00 C ATOM 1336 O GLU A 119 -9.943 8.033 7.203 1.00 0.00 O ATOM 1337 CB GLU A 119 -13.243 8.961 7.361 1.00 0.00 C ATOM 1338 CG GLU A 119 -14.432 9.399 6.521 1.00 0.00 C ATOM 1339 CD GLU A 119 -15.218 10.524 7.166 1.00 0.00 C ATOM 1340 OE1 GLU A 119 -15.270 10.574 8.412 1.00 0.00 O ATOM 1341 OE2 GLU A 119 -15.783 11.354 6.423 1.00 0.00 O ATOM 0 H GLU A 119 -13.959 6.818 6.371 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.901 8.558 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.607 8.447 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.704 9.845 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.081 9.721 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.091 8.546 6.359 1.00 0.00 H new ATOM 1348 N ASP A 120 -11.369 7.040 8.631 1.00 0.00 N ATOM 1349 CA ASP A 120 -10.327 6.654 9.576 1.00 0.00 C ATOM 1350 C ASP A 120 -9.091 6.142 8.842 1.00 0.00 C ATOM 1351 O ASP A 120 -7.966 6.527 9.157 1.00 0.00 O ATOM 1352 CB ASP A 120 -10.848 5.581 10.533 1.00 0.00 C ATOM 1353 CG ASP A 120 -10.015 5.478 11.796 1.00 0.00 C ATOM 1354 OD1 ASP A 120 -10.207 6.316 12.703 1.00 0.00 O ATOM 1355 OD2 ASP A 120 -9.173 4.560 11.878 1.00 0.00 O ATOM 0 H ASP A 120 -12.311 6.759 8.904 1.00 0.00 H new ATOM 0 HA ASP A 120 -10.047 7.537 10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -11.881 5.806 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -10.853 4.617 10.025 1.00 0.00 H new ATOM 1360 N ALA A 121 -9.310 5.271 7.862 1.00 0.00 N ATOM 1361 CA ALA A 121 -8.214 4.707 7.083 1.00 0.00 C ATOM 1362 C ALA A 121 -7.430 5.801 6.366 1.00 0.00 C ATOM 1363 O ALA A 121 -6.200 5.822 6.402 1.00 0.00 O ATOM 1364 CB ALA A 121 -8.747 3.693 6.081 1.00 0.00 C ATOM 0 H ALA A 121 -10.236 4.941 7.589 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.535 4.201 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.918 3.280 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.256 2.889 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -9.448 4.183 5.406 1.00 0.00 H new ATOM 1370 N LYS A 122 -8.150 6.708 5.715 1.00 0.00 N ATOM 1371 CA LYS A 122 -7.522 7.806 4.990 1.00 0.00 C ATOM 1372 C LYS A 122 -6.678 8.664 5.926 1.00 0.00 C ATOM 1373 O LYS A 122 -5.551 9.036 5.598 1.00 0.00 O ATOM 1374 CB LYS A 122 -8.587 8.670 4.310 1.00 0.00 C ATOM 1375 CG LYS A 122 -9.521 7.885 3.405 1.00 0.00 C ATOM 1376 CD LYS A 122 -10.723 8.716 2.989 1.00 0.00 C ATOM 1377 CE LYS A 122 -10.461 9.464 1.691 1.00 0.00 C ATOM 1378 NZ LYS A 122 -11.213 10.748 1.630 1.00 0.00 N ATOM 0 H LYS A 122 -9.169 6.704 5.675 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.868 7.379 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.176 9.175 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.094 9.446 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.979 7.558 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.860 6.987 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.591 8.067 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.965 9.428 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.394 9.663 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.745 8.836 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.008 11.228 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.233 10.556 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.924 11.358 2.421 1.00 0.00 H new ATOM 1392 N LYS A 123 -7.229 8.975 7.094 1.00 0.00 N ATOM 1393 CA LYS A 123 -6.526 9.788 8.080 1.00 0.00 C ATOM 1394 C LYS A 123 -5.180 9.165 8.438 1.00 0.00 C ATOM 1395 O LYS A 123 -4.173 9.865 8.554 1.00 0.00 O ATOM 1396 CB LYS A 123 -7.377 9.946 9.342 1.00 0.00 C ATOM 1397 CG LYS A 123 -8.710 10.631 9.094 1.00 0.00 C ATOM 1398 CD LYS A 123 -9.701 10.344 10.210 1.00 0.00 C ATOM 1399 CE LYS A 123 -11.133 10.338 9.696 1.00 0.00 C ATOM 1400 NZ LYS A 123 -12.121 10.358 10.809 1.00 0.00 N ATOM 0 H LYS A 123 -8.161 8.676 7.381 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.348 10.771 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.558 8.962 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.815 10.519 10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.557 11.707 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -9.123 10.292 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -9.472 9.379 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.597 11.096 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.292 11.204 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.295 9.452 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.085 10.353 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.986 9.519 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.983 11.216 11.380 1.00 0.00 H new ATOM 1414 N ASP A 124 -5.169 7.848 8.609 1.00 0.00 N ATOM 1415 CA ASP A 124 -3.946 7.131 8.951 1.00 0.00 C ATOM 1416 C ASP A 124 -3.009 7.052 7.749 1.00 0.00 C ATOM 1417 O ASP A 124 -1.818 7.345 7.857 1.00 0.00 O ATOM 1418 CB ASP A 124 -4.276 5.724 9.449 1.00 0.00 C ATOM 1419 CG ASP A 124 -4.420 5.662 10.957 1.00 0.00 C ATOM 1420 OD1 ASP A 124 -5.160 6.498 11.517 1.00 0.00 O ATOM 1421 OD2 ASP A 124 -3.794 4.777 11.577 1.00 0.00 O ATOM 0 H ASP A 124 -5.994 7.255 8.516 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.443 7.680 9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -5.202 5.385 8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.491 5.037 9.133 1.00 0.00 H new ATOM 1426 N PHE A 125 -3.555 6.653 6.605 1.00 0.00 N ATOM 1427 CA PHE A 125 -2.767 6.534 5.383 1.00 0.00 C ATOM 1428 C PHE A 125 -2.042 7.840 5.074 1.00 0.00 C ATOM 1429 O PHE A 125 -0.843 7.845 4.798 1.00 0.00 O ATOM 1430 CB PHE A 125 -3.667 6.145 4.208 1.00 0.00 C ATOM 1431 CG PHE A 125 -2.987 6.253 2.873 1.00 0.00 C ATOM 1432 CD1 PHE A 125 -2.626 7.489 2.362 1.00 0.00 C ATOM 1433 CD2 PHE A 125 -2.710 5.118 2.128 1.00 0.00 C ATOM 1434 CE1 PHE A 125 -2.002 7.591 1.133 1.00 0.00 C ATOM 1435 CE2 PHE A 125 -2.086 5.213 0.899 1.00 0.00 C ATOM 1436 CZ PHE A 125 -1.730 6.451 0.401 1.00 0.00 C ATOM 0 H PHE A 125 -4.539 6.407 6.498 1.00 0.00 H new ATOM 0 HA PHE A 125 -2.021 5.753 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.013 5.121 4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.550 6.784 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.835 8.383 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.985 4.147 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.727 8.561 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.877 4.320 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.240 6.528 -0.558 1.00 0.00 H new ATOM 1446 N GLU A 126 -2.779 8.945 5.121 1.00 0.00 N ATOM 1447 CA GLU A 126 -2.206 10.257 4.843 1.00 0.00 C ATOM 1448 C GLU A 126 -1.262 10.686 5.963 1.00 0.00 C ATOM 1449 O GLU A 126 -0.084 10.957 5.728 1.00 0.00 O ATOM 1450 CB GLU A 126 -3.316 11.296 4.671 1.00 0.00 C ATOM 1451 CG GLU A 126 -3.810 11.428 3.240 1.00 0.00 C ATOM 1452 CD GLU A 126 -4.818 12.548 3.071 1.00 0.00 C ATOM 1453 OE1 GLU A 126 -6.025 12.294 3.266 1.00 0.00 O ATOM 1454 OE2 GLU A 126 -4.400 13.678 2.744 1.00 0.00 O ATOM 0 H GLU A 126 -3.773 8.958 5.349 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.636 10.188 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -4.155 11.028 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -2.951 12.265 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -2.960 11.607 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.263 10.487 2.928 1.00 0.00 H new ATOM 1461 N LYS A 127 -1.788 10.746 7.182 1.00 0.00 N ATOM 1462 CA LYS A 127 -0.994 11.141 8.339 1.00 0.00 C ATOM 1463 C LYS A 127 0.409 10.547 8.265 1.00 0.00 C ATOM 1464 O LYS A 127 1.404 11.270 8.326 1.00 0.00 O ATOM 1465 CB LYS A 127 -1.681 10.693 9.631 1.00 0.00 C ATOM 1466 CG LYS A 127 -0.900 11.040 10.887 1.00 0.00 C ATOM 1467 CD LYS A 127 0.057 9.926 11.274 1.00 0.00 C ATOM 1468 CE LYS A 127 -0.666 8.791 11.984 1.00 0.00 C ATOM 1469 NZ LYS A 127 0.285 7.862 12.656 1.00 0.00 N ATOM 0 H LYS A 127 -2.761 10.526 7.394 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.910 12.228 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.667 11.154 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -1.835 9.615 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.341 11.962 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.593 11.227 11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.550 9.542 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.837 10.324 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.353 9.204 12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.267 8.237 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.246 7.103 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.925 7.448 11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.841 8.385 13.362 1.00 0.00 H new ATOM 1483 N LYS A 128 0.482 9.227 8.131 1.00 0.00 N ATOM 1484 CA LYS A 128 1.762 8.536 8.045 1.00 0.00 C ATOM 1485 C LYS A 128 2.643 9.154 6.964 1.00 0.00 C ATOM 1486 O LYS A 128 3.835 9.379 7.174 1.00 0.00 O ATOM 1487 CB LYS A 128 1.544 7.050 7.753 1.00 0.00 C ATOM 1488 CG LYS A 128 2.835 6.271 7.567 1.00 0.00 C ATOM 1489 CD LYS A 128 3.598 6.135 8.874 1.00 0.00 C ATOM 1490 CE LYS A 128 2.935 5.130 9.804 1.00 0.00 C ATOM 1491 NZ LYS A 128 3.917 4.495 10.726 1.00 0.00 N ATOM 0 H LYS A 128 -0.332 8.614 8.080 1.00 0.00 H new ATOM 0 HA LYS A 128 2.268 8.641 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.977 6.607 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.936 6.950 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 128 2.610 5.281 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 128 3.461 6.774 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.622 5.822 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 128 3.655 7.106 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.161 5.630 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 128 2.441 4.359 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.426 3.817 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.642 3.996 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 4.370 5.228 11.309 1.00 0.00 H new ATOM 1505 N PHE A 129 2.048 9.427 5.807 1.00 0.00 N ATOM 1506 CA PHE A 129 2.779 10.019 4.693 1.00 0.00 C ATOM 1507 C PHE A 129 3.178 11.458 5.008 1.00 0.00 C ATOM 1508 O PHE A 129 4.363 11.784 5.074 1.00 0.00 O ATOM 1509 CB PHE A 129 1.930 9.981 3.421 1.00 0.00 C ATOM 1510 CG PHE A 129 2.381 10.954 2.369 1.00 0.00 C ATOM 1511 CD1 PHE A 129 1.887 12.248 2.347 1.00 0.00 C ATOM 1512 CD2 PHE A 129 3.298 10.574 1.403 1.00 0.00 C ATOM 1513 CE1 PHE A 129 2.300 13.147 1.381 1.00 0.00 C ATOM 1514 CE2 PHE A 129 3.715 11.469 0.435 1.00 0.00 C ATOM 1515 CZ PHE A 129 3.214 12.756 0.424 1.00 0.00 C ATOM 0 H PHE A 129 1.062 9.248 5.617 1.00 0.00 H new ATOM 0 HA PHE A 129 3.686 9.435 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 129 1.955 8.973 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 129 0.893 10.193 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 129 1.171 12.558 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.691 9.568 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 129 1.908 14.153 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.432 11.162 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.537 13.456 -0.333 1.00 0.00 H new ATOM 1525 N ARG A 130 2.180 12.314 5.201 1.00 0.00 N ATOM 1526 CA ARG A 130 2.426 13.718 5.508 1.00 0.00 C ATOM 1527 C ARG A 130 3.441 13.858 6.638 1.00 0.00 C ATOM 1528 O ARG A 130 4.116 14.880 6.755 1.00 0.00 O ATOM 1529 CB ARG A 130 1.119 14.414 5.892 1.00 0.00 C ATOM 1530 CG ARG A 130 1.324 15.732 6.622 1.00 0.00 C ATOM 1531 CD ARG A 130 0.053 16.567 6.630 1.00 0.00 C ATOM 1532 NE ARG A 130 -0.989 15.970 7.460 1.00 0.00 N ATOM 1533 CZ ARG A 130 -0.960 15.969 8.788 1.00 0.00 C ATOM 1534 NH1 ARG A 130 0.053 16.530 9.433 1.00 0.00 N ATOM 1535 NH2 ARG A 130 -1.946 15.405 9.474 1.00 0.00 N ATOM 0 H ARG A 130 1.193 12.060 5.150 1.00 0.00 H new ATOM 0 HA ARG A 130 2.834 14.193 4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.535 14.595 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 130 0.533 13.746 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.639 15.536 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.127 16.293 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 130 0.279 17.568 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.315 16.677 5.610 1.00 0.00 H new ATOM 0 HE ARG A 130 -1.783 15.530 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 130 0.813 16.964 8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 130 0.072 16.528 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -2.727 14.972 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -1.923 15.405 10.494 1.00 0.00 H new ATOM 1549 N GLU A 131 3.543 12.824 7.467 1.00 0.00 N ATOM 1550 CA GLU A 131 4.475 12.833 8.588 1.00 0.00 C ATOM 1551 C GLU A 131 5.863 12.379 8.146 1.00 0.00 C ATOM 1552 O GLU A 131 6.877 12.858 8.654 1.00 0.00 O ATOM 1553 CB GLU A 131 3.965 11.928 9.712 1.00 0.00 C ATOM 1554 CG GLU A 131 3.079 12.646 10.717 1.00 0.00 C ATOM 1555 CD GLU A 131 3.652 13.982 11.149 1.00 0.00 C ATOM 1556 OE1 GLU A 131 4.885 14.068 11.330 1.00 0.00 O ATOM 1557 OE2 GLU A 131 2.868 14.941 11.307 1.00 0.00 O ATOM 0 H GLU A 131 2.992 11.970 7.383 1.00 0.00 H new ATOM 0 HA GLU A 131 4.547 13.856 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 131 3.407 11.100 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 131 4.818 11.497 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.093 12.802 10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 131 2.943 12.013 11.594 1.00 0.00 H new ATOM 1564 N LYS A 132 5.901 11.452 7.195 1.00 0.00 N ATOM 1565 CA LYS A 132 7.163 10.932 6.682 1.00 0.00 C ATOM 1566 C LYS A 132 7.724 11.843 5.595 1.00 0.00 C ATOM 1567 O LYS A 132 8.913 11.790 5.278 1.00 0.00 O ATOM 1568 CB LYS A 132 6.969 9.519 6.129 1.00 0.00 C ATOM 1569 CG LYS A 132 6.547 8.506 7.180 1.00 0.00 C ATOM 1570 CD LYS A 132 7.746 7.947 7.928 1.00 0.00 C ATOM 1571 CE LYS A 132 7.315 7.079 9.100 1.00 0.00 C ATOM 1572 NZ LYS A 132 6.635 7.875 10.159 1.00 0.00 N ATOM 0 H LYS A 132 5.071 11.045 6.763 1.00 0.00 H new ATOM 0 HA LYS A 132 7.875 10.898 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.217 9.547 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 132 7.900 9.187 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 132 5.863 8.977 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.002 7.691 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.361 7.360 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.366 8.768 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.643 6.297 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.187 6.581 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.600 7.323 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.163 8.756 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 5.667 8.103 9.854 1.00 0.00 H new ATOM 1586 N THR A 133 6.861 12.679 5.026 1.00 0.00 N ATOM 1587 CA THR A 133 7.271 13.602 3.974 1.00 0.00 C ATOM 1588 C THR A 133 7.126 15.050 4.427 1.00 0.00 C ATOM 1589 O THR A 133 7.648 15.966 3.790 1.00 0.00 O ATOM 1590 CB THR A 133 6.446 13.392 2.690 1.00 0.00 C ATOM 1591 OG1 THR A 133 5.071 13.709 2.934 1.00 0.00 O ATOM 1592 CG2 THR A 133 6.562 11.956 2.202 1.00 0.00 C ATOM 0 H THR A 133 5.874 12.736 5.276 1.00 0.00 H new ATOM 0 HA THR A 133 8.320 13.394 3.761 1.00 0.00 H new ATOM 0 HB THR A 133 6.839 14.054 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 133 4.525 13.395 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 133 5.971 11.831 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.606 11.727 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.192 11.279 2.972 1.00 0.00 H new ATOM 1600 N LYS A 134 6.414 15.252 5.530 1.00 0.00 N ATOM 1601 CA LYS A 134 6.202 16.590 6.070 1.00 0.00 C ATOM 1602 C LYS A 134 5.477 17.475 5.061 1.00 0.00 C ATOM 1603 O LYS A 134 5.800 18.652 4.910 1.00 0.00 O ATOM 1604 CB LYS A 134 7.540 17.226 6.454 1.00 0.00 C ATOM 1605 CG LYS A 134 8.074 16.755 7.796 1.00 0.00 C ATOM 1606 CD LYS A 134 9.465 17.302 8.065 1.00 0.00 C ATOM 1607 CE LYS A 134 9.407 18.684 8.698 1.00 0.00 C ATOM 1608 NZ LYS A 134 9.108 18.615 10.155 1.00 0.00 N ATOM 0 H LYS A 134 5.974 14.506 6.068 1.00 0.00 H new ATOM 0 HA LYS A 134 5.581 16.501 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.275 17.001 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.424 18.310 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.397 17.072 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.100 15.666 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.004 16.621 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.025 17.352 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.359 19.193 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 134 8.644 19.280 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 9.077 19.577 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 8.188 18.152 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 9.850 18.068 10.636 1.00 0.00 H new ATOM 1622 N ASN A 135 4.496 16.900 4.373 1.00 0.00 N ATOM 1623 CA ASN A 135 3.725 17.638 3.379 1.00 0.00 C ATOM 1624 C ASN A 135 2.341 17.023 3.197 1.00 0.00 C ATOM 1625 O ASN A 135 2.175 15.807 3.285 1.00 0.00 O ATOM 1626 CB ASN A 135 4.467 17.658 2.041 1.00 0.00 C ATOM 1627 CG ASN A 135 5.610 18.654 2.028 1.00 0.00 C ATOM 1628 OD1 ASN A 135 5.445 19.800 1.609 1.00 0.00 O ATOM 1629 ND2 ASN A 135 6.778 18.221 2.489 1.00 0.00 N ATOM 0 H ASN A 135 4.216 15.926 4.485 1.00 0.00 H new ATOM 0 HA ASN A 135 3.604 18.661 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.855 16.662 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 135 3.766 17.904 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 135 7.583 18.847 2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 135 6.870 17.263 2.827 1.00 0.00 H new ATOM 1636 N ASN A 136 1.351 17.872 2.942 1.00 0.00 N ATOM 1637 CA ASN A 136 -0.019 17.411 2.748 1.00 0.00 C ATOM 1638 C ASN A 136 -0.167 16.694 1.409 1.00 0.00 C ATOM 1639 O ASN A 136 0.325 17.165 0.384 1.00 0.00 O ATOM 1640 CB ASN A 136 -0.990 18.592 2.817 1.00 0.00 C ATOM 1641 CG ASN A 136 -1.126 19.148 4.221 1.00 0.00 C ATOM 1642 OD1 ASN A 136 -0.155 19.627 4.807 1.00 0.00 O ATOM 1643 ND2 ASN A 136 -2.334 19.085 4.768 1.00 0.00 N ATOM 0 H ASN A 136 1.472 18.882 2.865 1.00 0.00 H new ATOM 0 HA ASN A 136 -0.256 16.707 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.646 19.381 2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.969 18.275 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -2.486 19.442 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -3.110 18.679 4.245 1.00 0.00 H new ATOM 1650 N TRP A 137 -0.849 15.555 1.427 1.00 0.00 N ATOM 1651 CA TRP A 137 -1.063 14.773 0.215 1.00 0.00 C ATOM 1652 C TRP A 137 -1.715 15.620 -0.872 1.00 0.00 C ATOM 1653 O TRP A 137 -1.383 15.497 -2.051 1.00 0.00 O ATOM 1654 CB TRP A 137 -1.933 13.552 0.517 1.00 0.00 C ATOM 1655 CG TRP A 137 -2.211 12.707 -0.689 1.00 0.00 C ATOM 1656 CD1 TRP A 137 -3.385 12.633 -1.384 1.00 0.00 C ATOM 1657 CD2 TRP A 137 -1.300 11.816 -1.340 1.00 0.00 C ATOM 1658 NE1 TRP A 137 -3.257 11.749 -2.428 1.00 0.00 N ATOM 1659 CE2 TRP A 137 -1.987 11.235 -2.424 1.00 0.00 C ATOM 1660 CE3 TRP A 137 0.031 11.454 -1.115 1.00 0.00 C ATOM 1661 CZ2 TRP A 137 -1.388 10.312 -3.276 1.00 0.00 C ATOM 1662 CZ3 TRP A 137 0.625 10.537 -1.962 1.00 0.00 C ATOM 1663 CH2 TRP A 137 -0.084 9.975 -3.032 1.00 0.00 C ATOM 0 H TRP A 137 -1.263 15.152 2.267 1.00 0.00 H new ATOM 0 HA TRP A 137 -0.091 14.437 -0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 137 -1.440 12.942 1.273 1.00 0.00 H new ATOM 0 HB3 TRP A 137 -2.879 13.886 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 137 -4.281 13.187 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 137 -3.989 11.513 -3.098 1.00 0.00 H new ATOM 0 HE3 TRP A 137 0.586 11.883 -0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 -1.933 9.877 -4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 1.653 10.249 -1.796 1.00 0.00 H new ATOM 0 HH2 TRP A 137 0.408 9.262 -3.677 1.00 0.00 H new ATOM 1674 N ALA A 138 -2.643 16.481 -0.468 1.00 0.00 N ATOM 1675 CA ALA A 138 -3.340 17.351 -1.408 1.00 0.00 C ATOM 1676 C ALA A 138 -2.398 18.404 -1.982 1.00 0.00 C ATOM 1677 O ALA A 138 -2.445 18.707 -3.173 1.00 0.00 O ATOM 1678 CB ALA A 138 -4.529 18.016 -0.730 1.00 0.00 C ATOM 0 H ALA A 138 -2.930 16.595 0.504 1.00 0.00 H new ATOM 0 HA ALA A 138 -3.703 16.738 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -5.040 18.663 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -5.219 17.251 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -4.180 18.611 0.114 1.00 0.00 H new ATOM 1684 N GLU A 139 -1.545 18.958 -1.126 1.00 0.00 N ATOM 1685 CA GLU A 139 -0.594 19.979 -1.550 1.00 0.00 C ATOM 1686 C GLU A 139 0.709 19.345 -2.026 1.00 0.00 C ATOM 1687 O GLU A 139 1.793 19.883 -1.800 1.00 0.00 O ATOM 1688 CB GLU A 139 -0.311 20.952 -0.403 1.00 0.00 C ATOM 1689 CG GLU A 139 -1.564 21.572 0.193 1.00 0.00 C ATOM 1690 CD GLU A 139 -1.309 22.940 0.794 1.00 0.00 C ATOM 1691 OE1 GLU A 139 -1.367 23.937 0.043 1.00 0.00 O ATOM 1692 OE2 GLU A 139 -1.051 23.015 2.013 1.00 0.00 O ATOM 0 H GLU A 139 -1.493 18.717 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.036 20.527 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.233 20.427 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.341 21.747 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.327 21.656 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.962 20.910 0.962 1.00 0.00 H new ATOM 1699 N ARG A 140 0.595 18.197 -2.687 1.00 0.00 N ATOM 1700 CA ARG A 140 1.763 17.488 -3.194 1.00 0.00 C ATOM 1701 C ARG A 140 2.533 18.350 -4.190 1.00 0.00 C ATOM 1702 O ARG A 140 3.726 18.144 -4.413 1.00 0.00 O ATOM 1703 CB ARG A 140 1.341 16.176 -3.858 1.00 0.00 C ATOM 1704 CG ARG A 140 0.565 16.369 -5.150 1.00 0.00 C ATOM 1705 CD ARG A 140 0.459 15.071 -5.936 1.00 0.00 C ATOM 1706 NE ARG A 140 1.768 14.569 -6.342 1.00 0.00 N ATOM 1707 CZ ARG A 140 1.954 13.748 -7.370 1.00 0.00 C ATOM 1708 NH1 ARG A 140 0.919 13.340 -8.092 1.00 0.00 N ATOM 1709 NH2 ARG A 140 3.176 13.334 -7.678 1.00 0.00 N ATOM 0 H ARG A 140 -0.295 17.739 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 140 2.417 17.267 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.230 15.580 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 140 0.730 15.605 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -0.434 16.741 -4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 140 1.056 17.126 -5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -0.045 14.319 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -0.158 15.232 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 140 2.585 14.865 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -0.022 13.657 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 140 1.064 12.710 -8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 140 3.975 13.646 -7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 140 3.317 12.704 -8.467 1.00 0.00 H new ATOM 1723 N ASP A 141 1.842 19.315 -4.786 1.00 0.00 N ATOM 1724 CA ASP A 141 2.460 20.209 -5.759 1.00 0.00 C ATOM 1725 C ASP A 141 3.753 20.802 -5.207 1.00 0.00 C ATOM 1726 O ASP A 141 4.801 20.737 -5.849 1.00 0.00 O ATOM 1727 CB ASP A 141 1.492 21.331 -6.139 1.00 0.00 C ATOM 1728 CG ASP A 141 1.873 22.006 -7.442 1.00 0.00 C ATOM 1729 OD1 ASP A 141 2.714 22.928 -7.408 1.00 0.00 O ATOM 1730 OD2 ASP A 141 1.328 21.614 -8.496 1.00 0.00 O ATOM 0 H ASP A 141 0.854 19.499 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 141 2.699 19.628 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.484 20.924 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.469 22.073 -5.341 1.00 0.00 H new ATOM 1735 N HIS A 142 3.671 21.380 -4.013 1.00 0.00 N ATOM 1736 CA HIS A 142 4.834 21.985 -3.375 1.00 0.00 C ATOM 1737 C HIS A 142 5.563 20.970 -2.500 1.00 0.00 C ATOM 1738 O HIS A 142 6.081 21.310 -1.436 1.00 0.00 O ATOM 1739 CB HIS A 142 4.412 23.190 -2.534 1.00 0.00 C ATOM 1740 CG HIS A 142 3.525 22.835 -1.381 1.00 0.00 C ATOM 1741 ND1 HIS A 142 3.308 21.651 -0.763 1.00 0.00 N flip ATOM 1742 CD2 HIS A 142 2.732 23.757 -0.730 1.00 0.00 C flip ATOM 1743 CE1 HIS A 142 2.397 21.875 0.240 1.00 0.00 C flip ATOM 1744 NE2 HIS A 142 2.066 23.154 0.239 1.00 0.00 N flip ATOM 0 H HIS A 142 2.811 21.442 -3.468 1.00 0.00 H new ATOM 0 HA HIS A 142 5.514 22.319 -4.158 1.00 0.00 H new ATOM 0 HB2 HIS A 142 5.304 23.689 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 142 3.894 23.905 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 142 2.666 24.807 -0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 142 2.014 21.128 0.919 1.00 0.00 H new ATOM 0 HE2 HIS A 142 1.408 23.600 0.878 1.00 0.00 H new ATOM 1752 N PHE A 143 5.599 19.722 -2.955 1.00 0.00 N ATOM 1753 CA PHE A 143 6.263 18.656 -2.213 1.00 0.00 C ATOM 1754 C PHE A 143 7.754 18.943 -2.066 1.00 0.00 C ATOM 1755 O PHE A 143 8.513 18.851 -3.031 1.00 0.00 O ATOM 1756 CB PHE A 143 6.057 17.312 -2.914 1.00 0.00 C ATOM 1757 CG PHE A 143 6.735 16.165 -2.222 1.00 0.00 C ATOM 1758 CD1 PHE A 143 8.060 15.861 -2.493 1.00 0.00 C ATOM 1759 CD2 PHE A 143 6.048 15.389 -1.302 1.00 0.00 C ATOM 1760 CE1 PHE A 143 8.687 14.806 -1.858 1.00 0.00 C ATOM 1761 CE2 PHE A 143 6.671 14.333 -0.664 1.00 0.00 C ATOM 1762 CZ PHE A 143 7.992 14.040 -0.943 1.00 0.00 C ATOM 0 H PHE A 143 5.176 19.424 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 143 5.820 18.610 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.989 17.106 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 143 6.432 17.383 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 143 8.609 16.455 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.015 15.612 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 143 9.720 14.581 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 143 6.125 13.737 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 143 8.480 13.214 -0.447 1.00 0.00 H new ATOM 1772 N VAL A 144 8.167 19.292 -0.852 1.00 0.00 N ATOM 1773 CA VAL A 144 9.568 19.592 -0.578 1.00 0.00 C ATOM 1774 C VAL A 144 10.287 18.378 -0.001 1.00 0.00 C ATOM 1775 O VAL A 144 9.832 17.779 0.974 1.00 0.00 O ATOM 1776 CB VAL A 144 9.707 20.771 0.403 1.00 0.00 C ATOM 1777 CG1 VAL A 144 8.911 20.508 1.672 1.00 0.00 C ATOM 1778 CG2 VAL A 144 11.172 21.025 0.725 1.00 0.00 C ATOM 0 H VAL A 144 7.552 19.374 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 144 10.026 19.864 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 144 9.302 21.665 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 144 9.022 21.352 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 144 7.858 20.380 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 144 9.282 19.603 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 144 11.252 21.861 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 144 11.605 20.134 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 144 11.710 21.262 -0.193 1.00 0.00 H new ATOM 1788 N SER A 145 11.413 18.020 -0.609 1.00 0.00 N ATOM 1789 CA SER A 145 12.195 16.875 -0.158 1.00 0.00 C ATOM 1790 C SER A 145 13.285 17.311 0.817 1.00 0.00 C ATOM 1791 O SER A 145 14.342 17.792 0.409 1.00 0.00 O ATOM 1792 CB SER A 145 12.823 16.156 -1.354 1.00 0.00 C ATOM 1793 OG SER A 145 13.628 17.040 -2.115 1.00 0.00 O ATOM 0 H SER A 145 11.804 18.506 -1.416 1.00 0.00 H new ATOM 0 HA SER A 145 11.523 16.189 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.427 15.320 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.038 15.739 -1.985 1.00 0.00 H new ATOM 0 HG SER A 145 14.152 17.607 -1.511 1.00 0.00 H new ATOM 1799 N HIS A 146 13.018 17.139 2.108 1.00 0.00 N ATOM 1800 CA HIS A 146 13.976 17.514 3.142 1.00 0.00 C ATOM 1801 C HIS A 146 15.043 16.436 3.312 1.00 0.00 C ATOM 1802 O HIS A 146 14.780 15.241 3.171 1.00 0.00 O ATOM 1803 CB HIS A 146 13.257 17.749 4.471 1.00 0.00 C ATOM 1804 CG HIS A 146 12.179 18.786 4.394 1.00 0.00 C ATOM 1805 ND1 HIS A 146 12.379 20.106 4.739 1.00 0.00 N ATOM 1806 CD2 HIS A 146 10.886 18.692 4.006 1.00 0.00 C ATOM 1807 CE1 HIS A 146 11.255 20.779 4.568 1.00 0.00 C ATOM 1808 NE2 HIS A 146 10.333 19.944 4.124 1.00 0.00 N ATOM 0 H HIS A 146 12.147 16.743 2.463 1.00 0.00 H new ATOM 0 HA HIS A 146 14.464 18.438 2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 146 12.822 16.809 4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 146 13.988 18.051 5.221 1.00 0.00 H new ATOM 0 HD1 HIS A 146 13.258 20.501 5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 146 10.382 17.799 3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 146 11.114 21.833 4.759 1.00 0.00 H new ATOM 1816 N PRO A 147 16.275 16.866 3.619 1.00 0.00 N ATOM 1817 CA PRO A 147 17.406 15.954 3.814 1.00 0.00 C ATOM 1818 C PRO A 147 17.271 15.126 5.087 1.00 0.00 C ATOM 1819 O PRO A 147 17.292 15.663 6.194 1.00 0.00 O ATOM 1820 CB PRO A 147 18.609 16.896 3.914 1.00 0.00 C ATOM 1821 CG PRO A 147 18.040 18.187 4.393 1.00 0.00 C ATOM 1822 CD PRO A 147 16.660 18.276 3.802 1.00 0.00 C ATOM 0 HA PRO A 147 17.484 15.225 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 147 19.357 16.511 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 147 19.101 17.014 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 147 18.001 18.216 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 147 18.656 19.027 4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 147 15.971 18.798 4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 147 16.662 18.818 2.856 1.00 0.00 H new ATOM 1830 N GLY A 148 17.132 13.814 4.923 1.00 0.00 N ATOM 1831 CA GLY A 148 16.995 12.933 6.068 1.00 0.00 C ATOM 1832 C GLY A 148 15.644 12.247 6.114 1.00 0.00 C ATOM 1833 O GLY A 148 15.547 11.074 6.475 1.00 0.00 O ATOM 0 H GLY A 148 17.112 13.345 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 148 17.781 12.179 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 148 17.139 13.507 6.983 1.00 0.00 H new ATOM 1837 N LYS A 149 14.598 12.980 5.749 1.00 0.00 N ATOM 1838 CA LYS A 149 13.245 12.436 5.750 1.00 0.00 C ATOM 1839 C LYS A 149 12.990 11.609 4.494 1.00 0.00 C ATOM 1840 O LYS A 149 13.860 11.488 3.632 1.00 0.00 O ATOM 1841 CB LYS A 149 12.218 13.568 5.845 1.00 0.00 C ATOM 1842 CG LYS A 149 12.343 14.397 7.112 1.00 0.00 C ATOM 1843 CD LYS A 149 11.839 13.638 8.327 1.00 0.00 C ATOM 1844 CE LYS A 149 10.331 13.766 8.478 1.00 0.00 C ATOM 1845 NZ LYS A 149 9.607 12.683 7.756 1.00 0.00 N ATOM 0 H LYS A 149 14.661 13.953 5.449 1.00 0.00 H new ATOM 0 HA LYS A 149 13.142 11.786 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 149 12.329 14.222 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 149 11.215 13.143 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 149 13.386 14.677 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 149 11.778 15.322 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 149 12.109 12.586 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 149 12.329 14.018 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 149 10.068 13.736 9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 149 10.009 14.735 8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 8.601 12.703 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 9.700 12.827 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 10.014 11.761 8.014 1.00 0.00 H new ATOM 1859 N TYR A 150 11.792 11.042 4.398 1.00 0.00 N ATOM 1860 CA TYR A 150 11.423 10.225 3.248 1.00 0.00 C ATOM 1861 C TYR A 150 11.139 11.098 2.029 1.00 0.00 C ATOM 1862 O TYR A 150 10.693 12.238 2.157 1.00 0.00 O ATOM 1863 CB TYR A 150 10.198 9.370 3.575 1.00 0.00 C ATOM 1864 CG TYR A 150 10.531 8.088 4.302 1.00 0.00 C ATOM 1865 CD1 TYR A 150 10.653 8.063 5.686 1.00 0.00 C ATOM 1866 CD2 TYR A 150 10.724 6.901 3.606 1.00 0.00 C ATOM 1867 CE1 TYR A 150 10.958 6.893 6.355 1.00 0.00 C ATOM 1868 CE2 TYR A 150 11.028 5.726 4.267 1.00 0.00 C ATOM 1869 CZ TYR A 150 11.144 5.728 5.641 1.00 0.00 C ATOM 1870 OH TYR A 150 11.448 4.560 6.303 1.00 0.00 O ATOM 0 H TYR A 150 11.060 11.133 5.103 1.00 0.00 H new ATOM 0 HA TYR A 150 12.262 9.570 3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 150 9.509 9.955 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 150 9.677 9.128 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 150 10.507 8.973 6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 150 10.635 6.897 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 150 11.050 6.891 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 150 11.174 4.812 3.711 1.00 0.00 H new ATOM 0 HH TYR A 150 11.546 3.832 5.654 1.00 0.00 H new ATOM 1880 N THR A 151 11.399 10.552 0.845 1.00 0.00 N ATOM 1881 CA THR A 151 11.172 11.278 -0.398 1.00 0.00 C ATOM 1882 C THR A 151 9.969 10.720 -1.149 1.00 0.00 C ATOM 1883 O THR A 151 9.497 9.621 -0.857 1.00 0.00 O ATOM 1884 CB THR A 151 12.408 11.221 -1.316 1.00 0.00 C ATOM 1885 OG1 THR A 151 12.926 9.887 -1.357 1.00 0.00 O ATOM 1886 CG2 THR A 151 13.488 12.175 -0.829 1.00 0.00 C ATOM 0 H THR A 151 11.767 9.609 0.721 1.00 0.00 H new ATOM 0 HA THR A 151 10.978 12.316 -0.127 1.00 0.00 H new ATOM 0 HB THR A 151 12.104 11.523 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.710 9.859 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 151 14.351 12.117 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.100 13.193 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 151 13.789 11.899 0.182 1.00 0.00 H new ATOM 1894 N LEU A 152 9.476 11.483 -2.119 1.00 0.00 N ATOM 1895 CA LEU A 152 8.327 11.064 -2.913 1.00 0.00 C ATOM 1896 C LEU A 152 8.756 10.660 -4.320 1.00 0.00 C ATOM 1897 O LEU A 152 9.125 11.507 -5.134 1.00 0.00 O ATOM 1898 CB LEU A 152 7.295 12.190 -2.986 1.00 0.00 C ATOM 1899 CG LEU A 152 6.166 12.002 -4.001 1.00 0.00 C ATOM 1900 CD1 LEU A 152 5.343 10.769 -3.661 1.00 0.00 C ATOM 1901 CD2 LEU A 152 5.282 13.239 -4.051 1.00 0.00 C ATOM 0 H LEU A 152 9.855 12.395 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 152 7.877 10.198 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 152 6.851 12.314 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 152 7.816 13.118 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 152 6.609 11.857 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.545 10.651 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 152 5.984 9.888 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 152 4.910 10.883 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 152 4.484 13.087 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.847 13.415 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.880 14.102 -4.343 1.00 0.00 H new ATOM 1913 N ILE A 153 8.704 9.362 -4.600 1.00 0.00 N ATOM 1914 CA ILE A 153 9.084 8.847 -5.909 1.00 0.00 C ATOM 1915 C ILE A 153 7.887 8.233 -6.627 1.00 0.00 C ATOM 1916 O ILE A 153 6.811 8.087 -6.047 1.00 0.00 O ATOM 1917 CB ILE A 153 10.198 7.790 -5.796 1.00 0.00 C ATOM 1918 CG1 ILE A 153 10.020 6.962 -4.522 1.00 0.00 C ATOM 1919 CG2 ILE A 153 11.565 8.458 -5.813 1.00 0.00 C ATOM 1920 CD1 ILE A 153 10.547 7.645 -3.279 1.00 0.00 C ATOM 0 H ILE A 153 8.402 8.648 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 153 9.455 9.694 -6.486 1.00 0.00 H new ATOM 0 HB ILE A 153 10.131 7.120 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.961 6.743 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 153 10.529 6.006 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 153 12.342 7.698 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 153 11.690 9.007 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 153 11.643 9.148 -4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 153 10.387 7.001 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 153 11.613 7.839 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 153 10.020 8.588 -3.131 1.00 0.00 H new ATOM 1932 N GLU A 154 8.083 7.873 -7.891 1.00 0.00 N ATOM 1933 CA GLU A 154 7.019 7.272 -8.687 1.00 0.00 C ATOM 1934 C GLU A 154 7.435 5.898 -9.204 1.00 0.00 C ATOM 1935 O GLU A 154 6.800 5.341 -10.099 1.00 0.00 O ATOM 1936 CB GLU A 154 6.656 8.183 -9.863 1.00 0.00 C ATOM 1937 CG GLU A 154 7.842 8.547 -10.739 1.00 0.00 C ATOM 1938 CD GLU A 154 7.464 9.480 -11.874 1.00 0.00 C ATOM 1939 OE1 GLU A 154 6.301 9.424 -12.324 1.00 0.00 O ATOM 1940 OE2 GLU A 154 8.331 10.265 -12.311 1.00 0.00 O ATOM 0 H GLU A 154 8.968 7.987 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 154 6.145 7.150 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 154 5.901 7.689 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 154 6.205 9.098 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 154 8.610 9.019 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 154 8.277 7.637 -11.151 1.00 0.00 H new ATOM 1947 N VAL A 155 8.507 5.357 -8.633 1.00 0.00 N ATOM 1948 CA VAL A 155 9.008 4.049 -9.034 1.00 0.00 C ATOM 1949 C VAL A 155 9.172 3.963 -10.548 1.00 0.00 C ATOM 1950 O VAL A 155 8.771 4.870 -11.277 1.00 0.00 O ATOM 1951 CB VAL A 155 8.070 2.920 -8.566 1.00 0.00 C ATOM 1952 CG1 VAL A 155 6.811 2.884 -9.419 1.00 0.00 C ATOM 1953 CG2 VAL A 155 8.789 1.580 -8.604 1.00 0.00 C ATOM 0 H VAL A 155 9.045 5.805 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 155 9.981 3.924 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 155 7.776 3.119 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 155 6.160 2.080 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 155 6.287 3.836 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 155 7.082 2.710 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 155 8.112 0.794 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 155 9.114 1.370 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 155 9.657 1.614 -7.946 1.00 0.00 H new ATOM 1963 N GLN A 156 9.763 2.867 -11.012 1.00 0.00 N ATOM 1964 CA GLN A 156 9.980 2.664 -12.440 1.00 0.00 C ATOM 1965 C GLN A 156 9.594 1.247 -12.853 1.00 0.00 C ATOM 1966 O GLN A 156 10.322 0.292 -12.585 1.00 0.00 O ATOM 1967 CB GLN A 156 11.443 2.931 -12.798 1.00 0.00 C ATOM 1968 CG GLN A 156 11.888 4.357 -12.515 1.00 0.00 C ATOM 1969 CD GLN A 156 13.378 4.554 -12.715 1.00 0.00 C ATOM 1970 OE1 GLN A 156 14.072 3.667 -13.213 1.00 0.00 O ATOM 1971 NE2 GLN A 156 13.878 5.721 -12.328 1.00 0.00 N ATOM 0 H GLN A 156 10.100 2.107 -10.421 1.00 0.00 H new ATOM 0 HA GLN A 156 9.347 3.366 -12.982 1.00 0.00 H new ATOM 0 HB2 GLN A 156 12.077 2.243 -12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 156 11.595 2.715 -13.855 1.00 0.00 H new ATOM 0 HG2 GLN A 156 11.344 5.040 -13.168 1.00 0.00 H new ATOM 0 HG3 GLN A 156 11.625 4.619 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 156 13.266 6.428 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 156 14.874 5.911 -12.439 1.00 0.00 H new ATOM 1980 N ALA A 157 8.443 1.119 -13.505 1.00 0.00 N ATOM 1981 CA ALA A 157 7.961 -0.180 -13.956 1.00 0.00 C ATOM 1982 C ALA A 157 8.432 -0.478 -15.376 1.00 0.00 C ATOM 1983 O ALA A 157 8.343 -1.614 -15.844 1.00 0.00 O ATOM 1984 CB ALA A 157 6.442 -0.235 -13.879 1.00 0.00 C ATOM 0 H ALA A 157 7.827 1.900 -13.733 1.00 0.00 H new ATOM 0 HA ALA A 157 8.375 -0.943 -13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 157 6.096 -1.211 -14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 157 6.124 -0.076 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 157 6.017 0.542 -14.514 1.00 0.00 H new TER 1990 ALA A 157