USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot -88:sc= -0.0989 USER MOD Set 1.2: A 70 THR OG1 : rot -166:sc= 0.794 USER MOD Set 1.3: A 106 MET CE :methyl 142:sc= -0.169 (180deg=-0.695) USER MOD Set 2.1: A 61 THR OG1 : rot 92:sc= 0.996 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.91 K(o=-0.91,f=-5.3!) USER MOD Set 3.1: A 31 SER OG : rot 21:sc= 1.47 USER MOD Set 3.2: A 72 LYS NZ :NH3+ 169:sc= 1.2 (180deg=-0.00487) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0507 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.974 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.72) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.548 K(o=-0.55,f=-1.5!) USER MOD Single : A 39 SER OG : rot -50:sc= 0.903 USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.43!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 60 SER OG : rot 40:sc= -0.907 USER MOD Single : A 69 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.29) USER MOD Single : A 73 TYR OH : rot 30:sc= -0.843 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.23) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 0.174 (180deg=0.0938) USER MOD Single : A 92 CYS SG : rot 90:sc= 0.225 USER MOD Single : A 93 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.42) USER MOD Single : A 95 MET CE :methyl 142:sc= -0.19 (180deg=-2.57!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.2!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 62:sc= 0.912 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.6) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 27:sc= 0.535 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.992 36.842 -22.431 1.00 0.00 N ATOM 2 CA GLY A 1 -6.864 36.212 -21.130 1.00 0.00 C ATOM 3 C GLY A 1 -5.418 35.984 -20.735 1.00 0.00 C ATOM 4 O GLY A 1 -4.542 35.884 -21.594 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.351 37.811 -22.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.062 36.871 -22.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.655 36.296 -23.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.348 36.836 -20.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.390 35.257 -21.139 1.00 0.00 H new ATOM 8 N SER A 2 -5.167 35.904 -19.432 1.00 0.00 N ATOM 9 CA SER A 2 -3.816 35.693 -18.925 1.00 0.00 C ATOM 10 C SER A 2 -3.689 34.319 -18.274 1.00 0.00 C ATOM 11 O SER A 2 -4.202 34.089 -17.179 1.00 0.00 O ATOM 12 CB SER A 2 -3.451 36.784 -17.917 1.00 0.00 C ATOM 13 OG SER A 2 -3.271 38.034 -18.560 1.00 0.00 O ATOM 0 H SER A 2 -5.882 35.982 -18.708 1.00 0.00 H new ATOM 0 HA SER A 2 -3.126 35.742 -19.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.237 36.868 -17.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.537 36.507 -17.392 1.00 0.00 H new ATOM 0 HG SER A 2 -3.040 38.714 -17.894 1.00 0.00 H new ATOM 19 N SER A 3 -3.002 33.409 -18.957 1.00 0.00 N ATOM 20 CA SER A 3 -2.809 32.056 -18.448 1.00 0.00 C ATOM 21 C SER A 3 -1.331 31.677 -18.458 1.00 0.00 C ATOM 22 O SER A 3 -0.701 31.618 -19.512 1.00 0.00 O ATOM 23 CB SER A 3 -3.609 31.056 -19.284 1.00 0.00 C ATOM 24 OG SER A 3 -3.385 29.728 -18.843 1.00 0.00 O ATOM 0 H SER A 3 -2.570 33.584 -19.864 1.00 0.00 H new ATOM 0 HA SER A 3 -3.166 32.027 -17.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.672 31.290 -19.218 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.327 31.147 -20.333 1.00 0.00 H new ATOM 0 HG SER A 3 -3.909 29.108 -19.392 1.00 0.00 H new ATOM 30 N GLY A 4 -0.785 31.422 -17.273 1.00 0.00 N ATOM 31 CA GLY A 4 0.615 31.052 -17.166 1.00 0.00 C ATOM 32 C GLY A 4 1.436 32.097 -16.438 1.00 0.00 C ATOM 33 O GLY A 4 1.982 33.010 -17.057 1.00 0.00 O ATOM 0 H GLY A 4 -1.286 31.465 -16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.697 30.100 -16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.026 30.903 -18.165 1.00 0.00 H new ATOM 37 N SER A 5 1.524 31.964 -15.118 1.00 0.00 N ATOM 38 CA SER A 5 2.281 32.908 -14.303 1.00 0.00 C ATOM 39 C SER A 5 3.782 32.688 -14.471 1.00 0.00 C ATOM 40 O SER A 5 4.217 31.645 -14.958 1.00 0.00 O ATOM 41 CB SER A 5 1.895 32.766 -12.830 1.00 0.00 C ATOM 42 OG SER A 5 0.671 33.427 -12.558 1.00 0.00 O ATOM 0 H SER A 5 1.081 31.212 -14.590 1.00 0.00 H new ATOM 0 HA SER A 5 2.039 33.916 -14.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.807 31.710 -12.574 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.684 33.181 -12.202 1.00 0.00 H new ATOM 0 HG SER A 5 0.445 33.320 -11.610 1.00 0.00 H new ATOM 48 N SER A 6 4.567 33.680 -14.063 1.00 0.00 N ATOM 49 CA SER A 6 6.019 33.598 -14.171 1.00 0.00 C ATOM 50 C SER A 6 6.684 33.980 -12.852 1.00 0.00 C ATOM 51 O SER A 6 6.751 35.156 -12.495 1.00 0.00 O ATOM 52 CB SER A 6 6.521 34.511 -15.291 1.00 0.00 C ATOM 53 OG SER A 6 6.273 35.873 -14.988 1.00 0.00 O ATOM 0 H SER A 6 4.222 34.549 -13.655 1.00 0.00 H new ATOM 0 HA SER A 6 6.283 32.567 -14.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.590 34.357 -15.439 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.029 34.248 -16.227 1.00 0.00 H new ATOM 0 HG SER A 6 6.460 36.037 -14.040 1.00 0.00 H new ATOM 59 N GLY A 7 7.175 32.976 -12.131 1.00 0.00 N ATOM 60 CA GLY A 7 7.828 33.226 -10.859 1.00 0.00 C ATOM 61 C GLY A 7 8.291 31.950 -10.184 1.00 0.00 C ATOM 62 O GLY A 7 8.247 30.875 -10.781 1.00 0.00 O ATOM 0 H GLY A 7 7.132 31.994 -12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.685 33.881 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.140 33.754 -10.198 1.00 0.00 H new ATOM 66 N GLU A 8 8.736 32.070 -8.937 1.00 0.00 N ATOM 67 CA GLU A 8 9.211 30.916 -8.183 1.00 0.00 C ATOM 68 C GLU A 8 8.381 30.714 -6.918 1.00 0.00 C ATOM 69 O GLU A 8 8.780 31.095 -5.817 1.00 0.00 O ATOM 70 CB GLU A 8 10.686 31.091 -7.816 1.00 0.00 C ATOM 71 CG GLU A 8 11.629 30.944 -8.998 1.00 0.00 C ATOM 72 CD GLU A 8 13.078 31.188 -8.623 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.606 30.435 -7.777 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.684 32.130 -9.174 1.00 0.00 O ATOM 0 H GLU A 8 8.777 32.953 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 8 9.103 30.033 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.826 32.076 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.952 30.356 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.529 29.942 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.337 31.645 -9.780 1.00 0.00 H new ATOM 81 N PRO A 9 7.199 30.101 -7.078 1.00 0.00 N ATOM 82 CA PRO A 9 6.288 29.834 -5.961 1.00 0.00 C ATOM 83 C PRO A 9 6.826 28.764 -5.017 1.00 0.00 C ATOM 84 O PRO A 9 6.146 28.355 -4.076 1.00 0.00 O ATOM 85 CB PRO A 9 5.013 29.346 -6.652 1.00 0.00 C ATOM 86 CG PRO A 9 5.477 28.788 -7.953 1.00 0.00 C ATOM 87 CD PRO A 9 6.661 29.621 -8.362 1.00 0.00 C ATOM 0 HA PRO A 9 6.140 30.715 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.504 28.589 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.306 30.162 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.754 27.739 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.687 28.837 -8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.396 29.033 -8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.367 30.448 -9.009 1.00 0.00 H new ATOM 95 N ARG A 10 8.050 28.315 -5.275 1.00 0.00 N ATOM 96 CA ARG A 10 8.678 27.292 -4.448 1.00 0.00 C ATOM 97 C ARG A 10 8.983 27.831 -3.054 1.00 0.00 C ATOM 98 O ARG A 10 9.429 28.968 -2.901 1.00 0.00 O ATOM 99 CB ARG A 10 9.966 26.794 -5.107 1.00 0.00 C ATOM 100 CG ARG A 10 10.569 25.578 -4.423 1.00 0.00 C ATOM 101 CD ARG A 10 11.868 25.151 -5.089 1.00 0.00 C ATOM 102 NE ARG A 10 12.135 23.727 -4.904 1.00 0.00 N ATOM 103 CZ ARG A 10 12.537 23.198 -3.754 1.00 0.00 C ATOM 104 NH1 ARG A 10 12.717 23.971 -2.692 1.00 0.00 N ATOM 105 NH2 ARG A 10 12.760 21.893 -3.665 1.00 0.00 N ATOM 0 H ARG A 10 8.626 28.644 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 10 7.981 26.459 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.760 26.549 -6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.699 27.601 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.755 25.804 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.857 24.753 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.820 25.375 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.694 25.731 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 10 12.006 23.105 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.547 24.975 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.026 23.562 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.623 21.295 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.069 21.487 -2.781 1.00 0.00 H new ATOM 119 N ARG A 11 8.737 27.007 -2.040 1.00 0.00 N ATOM 120 CA ARG A 11 8.984 27.401 -0.658 1.00 0.00 C ATOM 121 C ARG A 11 9.578 26.244 0.140 1.00 0.00 C ATOM 122 O ARG A 11 9.250 25.077 -0.074 1.00 0.00 O ATOM 123 CB ARG A 11 7.685 27.874 -0.002 1.00 0.00 C ATOM 124 CG ARG A 11 7.092 29.115 -0.649 1.00 0.00 C ATOM 125 CD ARG A 11 7.620 30.387 -0.003 1.00 0.00 C ATOM 126 NE ARG A 11 8.948 30.741 -0.497 1.00 0.00 N ATOM 127 CZ ARG A 11 9.610 31.826 -0.111 1.00 0.00 C ATOM 128 NH1 ARG A 11 9.072 32.657 0.771 1.00 0.00 N ATOM 129 NH2 ARG A 11 10.815 32.080 -0.606 1.00 0.00 N ATOM 0 H ARG A 11 8.367 26.063 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 11 9.702 28.222 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.953 27.068 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.874 28.079 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.329 29.121 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.006 29.087 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.930 31.207 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.659 30.255 1.078 1.00 0.00 H new ATOM 0 HE ARG A 11 9.391 30.121 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.147 32.464 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.583 33.489 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.233 31.442 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.323 32.913 -0.309 1.00 0.00 H new ATOM 143 N PRO A 12 10.474 26.574 1.082 1.00 0.00 N ATOM 144 CA PRO A 12 11.133 25.577 1.931 1.00 0.00 C ATOM 145 C PRO A 12 10.172 24.939 2.928 1.00 0.00 C ATOM 146 O PRO A 12 10.426 23.848 3.439 1.00 0.00 O ATOM 147 CB PRO A 12 12.204 26.387 2.664 1.00 0.00 C ATOM 148 CG PRO A 12 11.684 27.783 2.672 1.00 0.00 C ATOM 149 CD PRO A 12 10.912 27.945 1.392 1.00 0.00 C ATOM 0 HA PRO A 12 11.532 24.746 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.357 26.016 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.165 26.326 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.045 27.956 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.500 28.503 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.065 28.619 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.534 28.358 0.597 1.00 0.00 H new ATOM 157 N ARG A 13 9.068 25.626 3.202 1.00 0.00 N ATOM 158 CA ARG A 13 8.069 25.126 4.139 1.00 0.00 C ATOM 159 C ARG A 13 7.391 23.873 3.594 1.00 0.00 C ATOM 160 O ARG A 13 6.811 23.890 2.509 1.00 0.00 O ATOM 161 CB ARG A 13 7.021 26.204 4.423 1.00 0.00 C ATOM 162 CG ARG A 13 7.598 27.469 5.036 1.00 0.00 C ATOM 163 CD ARG A 13 6.747 28.686 4.707 1.00 0.00 C ATOM 164 NE ARG A 13 7.385 29.930 5.130 1.00 0.00 N ATOM 165 CZ ARG A 13 7.106 31.115 4.600 1.00 0.00 C ATOM 166 NH1 ARG A 13 6.205 31.218 3.633 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.729 32.202 5.038 1.00 0.00 N ATOM 0 H ARG A 13 8.843 26.531 2.788 1.00 0.00 H new ATOM 0 HA ARG A 13 8.576 24.868 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.514 26.460 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.266 25.796 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.665 27.352 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.612 27.623 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.563 28.720 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.776 28.592 5.194 1.00 0.00 H new ATOM 0 HE ARG A 13 8.083 29.886 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.723 30.385 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.993 32.130 3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.423 32.127 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.514 33.112 4.630 1.00 0.00 H new ATOM 181 N ALA A 14 7.469 22.786 4.355 1.00 0.00 N ATOM 182 CA ALA A 14 6.863 21.524 3.950 1.00 0.00 C ATOM 183 C ALA A 14 5.347 21.655 3.837 1.00 0.00 C ATOM 184 O ALA A 14 4.793 22.739 4.012 1.00 0.00 O ATOM 185 CB ALA A 14 7.227 20.422 4.934 1.00 0.00 C ATOM 0 H ALA A 14 7.946 22.754 5.256 1.00 0.00 H new ATOM 0 HA ALA A 14 7.254 21.261 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.767 19.486 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.310 20.303 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.865 20.687 5.927 1.00 0.00 H new ATOM 191 N GLY A 15 4.682 20.542 3.543 1.00 0.00 N ATOM 192 CA GLY A 15 3.237 20.554 3.412 1.00 0.00 C ATOM 193 C GLY A 15 2.726 19.435 2.526 1.00 0.00 C ATOM 194 O GLY A 15 3.393 18.420 2.324 1.00 0.00 O ATOM 0 H GLY A 15 5.118 19.632 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.785 20.466 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.920 21.512 3.001 1.00 0.00 H new ATOM 198 N PRO A 16 1.513 19.613 1.982 1.00 0.00 N ATOM 199 CA PRO A 16 0.885 18.620 1.105 1.00 0.00 C ATOM 200 C PRO A 16 1.584 18.514 -0.246 1.00 0.00 C ATOM 201 O PRO A 16 1.159 17.756 -1.116 1.00 0.00 O ATOM 202 CB PRO A 16 -0.540 19.151 0.931 1.00 0.00 C ATOM 203 CG PRO A 16 -0.427 20.619 1.157 1.00 0.00 C ATOM 204 CD PRO A 16 0.661 20.798 2.180 1.00 0.00 C ATOM 0 HA PRO A 16 0.932 17.616 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.925 18.932 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.224 18.692 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.181 21.139 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.370 21.033 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.215 21.723 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.258 20.839 3.192 1.00 0.00 H new ATOM 212 N GLU A 17 2.658 19.280 -0.413 1.00 0.00 N ATOM 213 CA GLU A 17 3.415 19.272 -1.659 1.00 0.00 C ATOM 214 C GLU A 17 4.596 18.309 -1.572 1.00 0.00 C ATOM 215 O GLU A 17 4.771 17.448 -2.433 1.00 0.00 O ATOM 216 CB GLU A 17 3.914 20.681 -1.987 1.00 0.00 C ATOM 217 CG GLU A 17 4.364 20.846 -3.429 1.00 0.00 C ATOM 218 CD GLU A 17 4.800 22.264 -3.745 1.00 0.00 C ATOM 219 OE1 GLU A 17 5.980 22.589 -3.498 1.00 0.00 O ATOM 220 OE2 GLU A 17 3.962 23.046 -4.239 1.00 0.00 O ATOM 0 H GLU A 17 3.023 19.913 0.298 1.00 0.00 H new ATOM 0 HA GLU A 17 2.752 18.935 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.119 21.397 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.745 20.927 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.190 20.163 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.549 20.564 -4.095 1.00 0.00 H new ATOM 227 N GLU A 18 5.402 18.464 -0.526 1.00 0.00 N ATOM 228 CA GLU A 18 6.567 17.610 -0.328 1.00 0.00 C ATOM 229 C GLU A 18 6.161 16.139 -0.281 1.00 0.00 C ATOM 230 O GLU A 18 6.909 15.263 -0.717 1.00 0.00 O ATOM 231 CB GLU A 18 7.293 17.991 0.964 1.00 0.00 C ATOM 232 CG GLU A 18 8.265 19.147 0.797 1.00 0.00 C ATOM 233 CD GLU A 18 9.082 19.408 2.047 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.365 18.441 2.785 1.00 0.00 O ATOM 235 OE2 GLU A 18 9.439 20.580 2.288 1.00 0.00 O ATOM 0 H GLU A 18 5.270 19.172 0.196 1.00 0.00 H new ATOM 0 HA GLU A 18 7.241 17.757 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.555 18.254 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.835 17.122 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.937 18.934 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.710 20.048 0.535 1.00 0.00 H new ATOM 242 N LEU A 19 4.974 15.876 0.253 1.00 0.00 N ATOM 243 CA LEU A 19 4.467 14.512 0.358 1.00 0.00 C ATOM 244 C LEU A 19 3.981 14.006 -0.996 1.00 0.00 C ATOM 245 O LEU A 19 4.250 12.867 -1.377 1.00 0.00 O ATOM 246 CB LEU A 19 3.330 14.447 1.379 1.00 0.00 C ATOM 247 CG LEU A 19 3.745 14.226 2.834 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.504 12.916 2.979 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.588 15.391 3.331 1.00 0.00 C ATOM 0 H LEU A 19 4.344 16.589 0.620 1.00 0.00 H new ATOM 0 HA LEU A 19 5.283 13.872 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.763 15.376 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.654 13.643 1.089 1.00 0.00 H new ATOM 0 HG LEU A 19 2.844 14.170 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.791 12.775 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.867 12.090 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.398 12.943 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.874 15.217 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.484 15.479 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.010 16.313 3.264 1.00 0.00 H new ATOM 261 N GLY A 20 3.265 14.861 -1.719 1.00 0.00 N ATOM 262 CA GLY A 20 2.754 14.482 -3.024 1.00 0.00 C ATOM 263 C GLY A 20 3.858 14.103 -3.991 1.00 0.00 C ATOM 264 O GLY A 20 3.617 13.412 -4.981 1.00 0.00 O ATOM 0 H GLY A 20 3.029 15.809 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.069 13.642 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.179 15.309 -3.440 1.00 0.00 H new ATOM 268 N LYS A 21 5.074 14.557 -3.706 1.00 0.00 N ATOM 269 CA LYS A 21 6.220 14.262 -4.557 1.00 0.00 C ATOM 270 C LYS A 21 6.823 12.905 -4.208 1.00 0.00 C ATOM 271 O LYS A 21 7.811 12.481 -4.809 1.00 0.00 O ATOM 272 CB LYS A 21 7.282 15.355 -4.414 1.00 0.00 C ATOM 273 CG LYS A 21 6.855 16.696 -4.985 1.00 0.00 C ATOM 274 CD LYS A 21 8.046 17.493 -5.490 1.00 0.00 C ATOM 275 CE LYS A 21 8.861 18.065 -4.340 1.00 0.00 C ATOM 276 NZ LYS A 21 8.352 19.396 -3.907 1.00 0.00 N ATOM 0 H LYS A 21 5.291 15.131 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 21 5.875 14.231 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.524 15.479 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.195 15.031 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.150 16.537 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.332 17.268 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.680 16.853 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.698 18.304 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.834 17.374 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.904 18.156 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.934 19.752 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.401 20.062 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.365 19.305 -3.592 1.00 0.00 H new ATOM 290 N ILE A 22 6.221 12.228 -3.236 1.00 0.00 N ATOM 291 CA ILE A 22 6.697 10.918 -2.810 1.00 0.00 C ATOM 292 C ILE A 22 6.054 9.805 -3.631 1.00 0.00 C ATOM 293 O ILE A 22 6.746 9.007 -4.264 1.00 0.00 O ATOM 294 CB ILE A 22 6.408 10.672 -1.317 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.063 11.759 -0.462 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.902 9.294 -0.902 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.827 11.585 1.022 1.00 0.00 C ATOM 0 H ILE A 22 5.403 12.565 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 22 7.775 10.907 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 22 5.330 10.713 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.136 11.763 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.681 12.732 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.691 9.135 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.393 8.532 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.977 9.226 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.320 12.391 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.757 11.611 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.234 10.627 1.345 1.00 0.00 H new ATOM 309 N LEU A 23 4.727 9.760 -3.618 1.00 0.00 N ATOM 310 CA LEU A 23 3.989 8.746 -4.363 1.00 0.00 C ATOM 311 C LEU A 23 3.230 9.372 -5.529 1.00 0.00 C ATOM 312 O LEU A 23 2.074 9.034 -5.781 1.00 0.00 O ATOM 313 CB LEU A 23 3.014 8.014 -3.439 1.00 0.00 C ATOM 314 CG LEU A 23 3.644 7.115 -2.375 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.567 6.426 -1.552 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.563 6.089 -3.021 1.00 0.00 C ATOM 0 H LEU A 23 4.140 10.414 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 23 4.707 8.030 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.393 8.756 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.350 7.406 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 23 4.239 7.737 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.035 5.790 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.949 7.177 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.944 5.816 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.003 5.458 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.990 5.471 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.356 6.602 -3.565 1.00 0.00 H new ATOM 328 N GLN A 24 3.889 10.284 -6.236 1.00 0.00 N ATOM 329 CA GLN A 24 3.276 10.956 -7.376 1.00 0.00 C ATOM 330 C GLN A 24 2.955 9.960 -8.486 1.00 0.00 C ATOM 331 O GLN A 24 3.849 9.319 -9.037 1.00 0.00 O ATOM 332 CB GLN A 24 4.203 12.050 -7.909 1.00 0.00 C ATOM 333 CG GLN A 24 3.663 12.758 -9.141 1.00 0.00 C ATOM 334 CD GLN A 24 2.195 13.114 -9.012 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.749 13.591 -7.968 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.434 12.885 -10.076 1.00 0.00 N ATOM 0 H GLN A 24 4.847 10.575 -6.040 1.00 0.00 H new ATOM 0 HA GLN A 24 2.344 11.411 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.373 12.786 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.171 11.610 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.239 13.667 -9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.803 12.119 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.845 12.488 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.439 13.106 -10.048 1.00 0.00 H new ATOM 345 N GLY A 25 1.671 9.836 -8.809 1.00 0.00 N ATOM 346 CA GLY A 25 1.254 8.916 -9.851 1.00 0.00 C ATOM 347 C GLY A 25 1.071 7.502 -9.338 1.00 0.00 C ATOM 348 O GLY A 25 1.343 6.535 -10.049 1.00 0.00 O ATOM 0 H GLY A 25 0.913 10.356 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.318 9.265 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.996 8.916 -10.649 1.00 0.00 H new ATOM 352 N VAL A 26 0.611 7.379 -8.097 1.00 0.00 N ATOM 353 CA VAL A 26 0.393 6.073 -7.488 1.00 0.00 C ATOM 354 C VAL A 26 -1.047 5.923 -7.009 1.00 0.00 C ATOM 355 O VAL A 26 -1.678 6.895 -6.592 1.00 0.00 O ATOM 356 CB VAL A 26 1.344 5.842 -6.299 1.00 0.00 C ATOM 357 CG1 VAL A 26 0.953 4.584 -5.538 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.785 5.758 -6.779 1.00 0.00 C ATOM 0 H VAL A 26 0.382 8.169 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 26 0.597 5.328 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 26 1.260 6.690 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.636 4.438 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.065 4.688 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.007 3.724 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.444 5.595 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.887 4.930 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.058 6.689 -7.275 1.00 0.00 H new ATOM 368 N VAL A 27 -1.561 4.699 -7.071 1.00 0.00 N ATOM 369 CA VAL A 27 -2.927 4.421 -6.642 1.00 0.00 C ATOM 370 C VAL A 27 -2.958 3.321 -5.587 1.00 0.00 C ATOM 371 O VAL A 27 -2.546 2.189 -5.842 1.00 0.00 O ATOM 372 CB VAL A 27 -3.814 4.004 -7.830 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.251 3.795 -7.376 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.743 5.043 -8.939 1.00 0.00 C ATOM 0 H VAL A 27 -1.052 3.884 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.318 5.343 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.441 3.059 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.863 3.501 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.283 3.012 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.638 4.723 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.376 4.732 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.089 6.004 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.713 5.138 -9.283 1.00 0.00 H new ATOM 384 N VAL A 28 -3.452 3.660 -4.401 1.00 0.00 N ATOM 385 CA VAL A 28 -3.539 2.700 -3.306 1.00 0.00 C ATOM 386 C VAL A 28 -4.986 2.301 -3.039 1.00 0.00 C ATOM 387 O VAL A 28 -5.889 3.137 -3.075 1.00 0.00 O ATOM 388 CB VAL A 28 -2.928 3.268 -2.012 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.408 3.245 -2.083 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.436 4.679 -1.757 1.00 0.00 C ATOM 0 H VAL A 28 -3.798 4.592 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.973 1.820 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.239 2.638 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.994 3.650 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.065 2.219 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.074 3.850 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.994 5.064 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.158 5.322 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.521 4.663 -1.658 1.00 0.00 H new ATOM 400 N VAL A 29 -5.200 1.017 -2.771 1.00 0.00 N ATOM 401 CA VAL A 29 -6.538 0.506 -2.496 1.00 0.00 C ATOM 402 C VAL A 29 -6.639 -0.030 -1.073 1.00 0.00 C ATOM 403 O VAL A 29 -5.879 -0.914 -0.674 1.00 0.00 O ATOM 404 CB VAL A 29 -6.925 -0.611 -3.483 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.212 -1.292 -3.040 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.065 -0.053 -4.891 1.00 0.00 C ATOM 0 H VAL A 29 -4.464 0.311 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.228 1.341 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.131 -1.357 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.470 -2.078 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.071 -1.727 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.017 -0.559 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.339 -0.856 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.840 0.714 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.117 0.384 -5.205 1.00 0.00 H new ATOM 416 N LEU A 30 -7.583 0.509 -0.309 1.00 0.00 N ATOM 417 CA LEU A 30 -7.785 0.085 1.072 1.00 0.00 C ATOM 418 C LEU A 30 -8.653 -1.168 1.135 1.00 0.00 C ATOM 419 O LEU A 30 -9.726 -1.223 0.535 1.00 0.00 O ATOM 420 CB LEU A 30 -8.434 1.209 1.882 1.00 0.00 C ATOM 421 CG LEU A 30 -7.575 2.453 2.111 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.348 3.498 2.900 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.286 2.085 2.832 1.00 0.00 C ATOM 0 H LEU A 30 -8.221 1.241 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.810 -0.148 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.350 1.513 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.725 0.809 2.853 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.318 2.877 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.720 4.376 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.243 3.783 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.636 3.085 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.687 2.982 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.524 1.637 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.723 1.372 2.230 1.00 0.00 H new ATOM 435 N SER A 31 -8.181 -2.172 1.867 1.00 0.00 N ATOM 436 CA SER A 31 -8.912 -3.426 2.007 1.00 0.00 C ATOM 437 C SER A 31 -8.554 -4.120 3.318 1.00 0.00 C ATOM 438 O SER A 31 -7.471 -4.687 3.457 1.00 0.00 O ATOM 439 CB SER A 31 -8.611 -4.352 0.827 1.00 0.00 C ATOM 440 OG SER A 31 -9.408 -4.021 -0.297 1.00 0.00 O ATOM 0 H SER A 31 -7.296 -2.141 2.372 1.00 0.00 H new ATOM 0 HA SER A 31 -9.978 -3.197 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.556 -4.279 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.796 -5.387 1.116 1.00 0.00 H new ATOM 0 HG SER A 31 -9.729 -3.099 -0.210 1.00 0.00 H new ATOM 446 N GLY A 32 -9.474 -4.070 4.277 1.00 0.00 N ATOM 447 CA GLY A 32 -9.237 -4.698 5.564 1.00 0.00 C ATOM 448 C GLY A 32 -8.961 -3.687 6.660 1.00 0.00 C ATOM 449 O GLY A 32 -8.188 -3.954 7.580 1.00 0.00 O ATOM 0 H GLY A 32 -10.378 -3.606 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.105 -5.298 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.391 -5.380 5.482 1.00 0.00 H new ATOM 453 N PHE A 33 -9.593 -2.522 6.561 1.00 0.00 N ATOM 454 CA PHE A 33 -9.409 -1.466 7.550 1.00 0.00 C ATOM 455 C PHE A 33 -10.745 -1.059 8.165 1.00 0.00 C ATOM 456 O PHE A 33 -11.798 -1.224 7.550 1.00 0.00 O ATOM 457 CB PHE A 33 -8.738 -0.250 6.910 1.00 0.00 C ATOM 458 CG PHE A 33 -7.317 -0.501 6.491 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.320 -0.663 7.439 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.979 -0.574 5.149 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.012 -0.894 7.057 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.673 -0.806 4.762 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.688 -0.965 5.716 1.00 0.00 C ATOM 0 H PHE A 33 -10.237 -2.285 5.806 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.767 -1.852 8.342 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.316 0.058 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.759 0.580 7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.568 -0.608 8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.745 -0.448 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.244 -1.019 7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.423 -0.863 3.713 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.667 -1.144 5.415 1.00 0.00 H new ATOM 473 N GLN A 34 -10.692 -0.527 9.382 1.00 0.00 N ATOM 474 CA GLN A 34 -11.897 -0.097 10.081 1.00 0.00 C ATOM 475 C GLN A 34 -11.682 1.251 10.759 1.00 0.00 C ATOM 476 O GLN A 34 -10.797 1.399 11.602 1.00 0.00 O ATOM 477 CB GLN A 34 -12.311 -1.143 11.118 1.00 0.00 C ATOM 478 CG GLN A 34 -12.637 -2.501 10.516 1.00 0.00 C ATOM 479 CD GLN A 34 -12.834 -3.573 11.569 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.849 -3.597 12.266 1.00 0.00 O ATOM 481 NE2 GLN A 34 -11.861 -4.469 11.691 1.00 0.00 N ATOM 0 H GLN A 34 -9.828 -0.384 9.904 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.694 0.011 9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.507 -1.260 11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.182 -0.778 11.663 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.541 -2.419 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.832 -2.800 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.037 -4.412 11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.938 -5.214 12.383 1.00 0.00 H new ATOM 490 N ASN A 35 -12.496 2.233 10.386 1.00 0.00 N ATOM 491 CA ASN A 35 -12.393 3.571 10.958 1.00 0.00 C ATOM 492 C ASN A 35 -12.376 3.510 12.482 1.00 0.00 C ATOM 493 O ASN A 35 -12.892 2.577 13.097 1.00 0.00 O ATOM 494 CB ASN A 35 -13.558 4.442 10.483 1.00 0.00 C ATOM 495 CG ASN A 35 -14.750 4.373 11.419 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.112 3.300 11.903 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.365 5.521 11.678 1.00 0.00 N ATOM 0 H ASN A 35 -13.234 2.128 9.690 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.456 4.014 10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.224 5.476 10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.863 4.124 9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.173 5.538 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.030 6.386 11.254 1.00 0.00 H new ATOM 504 N PRO A 36 -11.770 4.530 13.108 1.00 0.00 N ATOM 505 CA PRO A 36 -11.152 5.647 12.386 1.00 0.00 C ATOM 506 C PRO A 36 -9.891 5.227 11.639 1.00 0.00 C ATOM 507 O PRO A 36 -9.508 5.850 10.649 1.00 0.00 O ATOM 508 CB PRO A 36 -10.809 6.641 13.498 1.00 0.00 C ATOM 509 CG PRO A 36 -10.664 5.805 14.723 1.00 0.00 C ATOM 510 CD PRO A 36 -11.640 4.671 14.568 1.00 0.00 C ATOM 0 HA PRO A 36 -11.813 6.054 11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.888 7.181 13.276 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.595 7.387 13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.645 5.432 14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.880 6.386 15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.269 3.756 15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.598 4.898 15.037 1.00 0.00 H new ATOM 518 N PHE A 37 -9.249 4.167 12.119 1.00 0.00 N ATOM 519 CA PHE A 37 -8.030 3.664 11.496 1.00 0.00 C ATOM 520 C PHE A 37 -8.114 3.767 9.976 1.00 0.00 C ATOM 521 O PHE A 37 -7.233 4.338 9.333 1.00 0.00 O ATOM 522 CB PHE A 37 -7.784 2.211 11.907 1.00 0.00 C ATOM 523 CG PHE A 37 -6.420 1.705 11.536 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.281 2.385 11.940 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.275 0.551 10.783 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.024 1.922 11.599 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.020 0.084 10.439 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.894 0.770 10.849 1.00 0.00 C ATOM 0 H PHE A 37 -9.553 3.640 12.938 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.197 4.277 11.839 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.916 2.120 12.985 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.537 1.577 11.439 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.377 3.286 12.527 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.153 0.010 10.461 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.144 2.461 11.919 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.920 -0.816 9.850 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.913 0.406 10.583 1.00 0.00 H new ATOM 538 N ARG A 38 -9.179 3.209 9.409 1.00 0.00 N ATOM 539 CA ARG A 38 -9.377 3.236 7.965 1.00 0.00 C ATOM 540 C ARG A 38 -9.210 4.651 7.419 1.00 0.00 C ATOM 541 O ARG A 38 -8.329 4.911 6.599 1.00 0.00 O ATOM 542 CB ARG A 38 -10.766 2.703 7.610 1.00 0.00 C ATOM 543 CG ARG A 38 -11.108 2.827 6.134 1.00 0.00 C ATOM 544 CD ARG A 38 -12.610 2.915 5.914 1.00 0.00 C ATOM 545 NE ARG A 38 -12.999 2.428 4.594 1.00 0.00 N ATOM 546 CZ ARG A 38 -12.953 1.149 4.238 1.00 0.00 C ATOM 547 NH1 ARG A 38 -12.536 0.233 5.101 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.324 0.785 3.018 1.00 0.00 N ATOM 0 H ARG A 38 -9.917 2.733 9.927 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.621 2.597 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.829 1.655 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.513 3.242 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.627 3.714 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.710 1.968 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.123 2.334 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.933 3.950 6.028 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.324 3.108 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.250 0.510 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.501 -0.749 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.645 1.487 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.288 -0.197 2.746 1.00 0.00 H new ATOM 562 N SER A 39 -10.061 5.563 7.880 1.00 0.00 N ATOM 563 CA SER A 39 -10.009 6.950 7.435 1.00 0.00 C ATOM 564 C SER A 39 -8.614 7.534 7.636 1.00 0.00 C ATOM 565 O SER A 39 -7.989 8.013 6.690 1.00 0.00 O ATOM 566 CB SER A 39 -11.039 7.790 8.194 1.00 0.00 C ATOM 567 OG SER A 39 -10.726 7.856 9.574 1.00 0.00 O ATOM 0 H SER A 39 -10.794 5.366 8.561 1.00 0.00 H new ATOM 0 HA SER A 39 -10.244 6.973 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.071 8.796 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.032 7.359 8.063 1.00 0.00 H new ATOM 0 HG SER A 39 -10.572 6.951 9.918 1.00 0.00 H new ATOM 573 N GLU A 40 -8.133 7.490 8.874 1.00 0.00 N ATOM 574 CA GLU A 40 -6.812 8.015 9.200 1.00 0.00 C ATOM 575 C GLU A 40 -5.771 7.530 8.195 1.00 0.00 C ATOM 576 O GLU A 40 -4.871 8.275 7.808 1.00 0.00 O ATOM 577 CB GLU A 40 -6.406 7.595 10.614 1.00 0.00 C ATOM 578 CG GLU A 40 -4.991 8.002 10.987 1.00 0.00 C ATOM 579 CD GLU A 40 -4.811 8.186 12.481 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.287 7.323 13.247 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.194 9.194 12.884 1.00 0.00 O ATOM 0 H GLU A 40 -8.638 7.096 9.668 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.860 9.103 9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.102 8.035 11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.499 6.513 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.293 7.244 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.738 8.932 10.477 1.00 0.00 H new ATOM 588 N LEU A 41 -5.901 6.275 7.776 1.00 0.00 N ATOM 589 CA LEU A 41 -4.972 5.689 6.817 1.00 0.00 C ATOM 590 C LEU A 41 -5.097 6.365 5.455 1.00 0.00 C ATOM 591 O LEU A 41 -4.094 6.697 4.822 1.00 0.00 O ATOM 592 CB LEU A 41 -5.231 4.188 6.678 1.00 0.00 C ATOM 593 CG LEU A 41 -4.237 3.412 5.814 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.819 3.601 6.332 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.601 1.934 5.778 1.00 0.00 C ATOM 0 H LEU A 41 -6.641 5.645 8.086 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.959 5.844 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.237 3.747 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.229 4.049 6.262 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.286 3.802 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.125 3.041 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.560 4.659 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.755 3.238 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.883 1.397 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.581 1.530 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.601 1.816 5.360 1.00 0.00 H new ATOM 607 N ARG A 42 -6.333 6.569 5.012 1.00 0.00 N ATOM 608 CA ARG A 42 -6.588 7.206 3.726 1.00 0.00 C ATOM 609 C ARG A 42 -5.853 8.540 3.625 1.00 0.00 C ATOM 610 O ARG A 42 -5.006 8.728 2.752 1.00 0.00 O ATOM 611 CB ARG A 42 -8.090 7.424 3.530 1.00 0.00 C ATOM 612 CG ARG A 42 -8.445 8.040 2.186 1.00 0.00 C ATOM 613 CD ARG A 42 -9.825 8.680 2.215 1.00 0.00 C ATOM 614 NE ARG A 42 -9.805 9.995 2.850 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.900 10.694 3.125 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.095 10.207 2.823 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.800 11.884 3.705 1.00 0.00 N ATOM 0 H ARG A 42 -7.173 6.302 5.525 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.218 6.546 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.603 6.468 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.462 8.069 4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.700 8.790 1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.415 7.272 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.202 8.775 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.515 8.029 2.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.901 10.398 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.176 9.293 2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.934 10.746 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.882 12.262 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.641 12.421 3.916 1.00 0.00 H new ATOM 631 N ASP A 43 -6.183 9.461 4.524 1.00 0.00 N ATOM 632 CA ASP A 43 -5.554 10.776 4.537 1.00 0.00 C ATOM 633 C ASP A 43 -4.057 10.666 4.265 1.00 0.00 C ATOM 634 O ASP A 43 -3.541 11.259 3.318 1.00 0.00 O ATOM 635 CB ASP A 43 -5.792 11.466 5.881 1.00 0.00 C ATOM 636 CG ASP A 43 -5.768 12.977 5.769 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.742 13.548 5.236 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.774 13.590 6.213 1.00 0.00 O ATOM 0 H ASP A 43 -6.882 9.321 5.253 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.005 11.375 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.755 11.150 6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.029 11.145 6.591 1.00 0.00 H new ATOM 643 N LYS A 44 -3.364 9.903 5.104 1.00 0.00 N ATOM 644 CA LYS A 44 -1.926 9.713 4.955 1.00 0.00 C ATOM 645 C LYS A 44 -1.574 9.315 3.525 1.00 0.00 C ATOM 646 O LYS A 44 -0.648 9.863 2.929 1.00 0.00 O ATOM 647 CB LYS A 44 -1.428 8.644 5.931 1.00 0.00 C ATOM 648 CG LYS A 44 -1.046 9.194 7.294 1.00 0.00 C ATOM 649 CD LYS A 44 -1.188 8.141 8.380 1.00 0.00 C ATOM 650 CE LYS A 44 -1.124 8.760 9.768 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.585 7.812 10.820 1.00 0.00 N ATOM 0 H LYS A 44 -3.775 9.406 5.894 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.435 10.660 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.205 7.890 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.564 8.142 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.017 9.554 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.677 10.050 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.135 7.616 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.397 7.399 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.101 9.069 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.740 9.659 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.169 8.321 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.148 7.055 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.760 7.397 11.299 1.00 0.00 H new ATOM 665 N ALA A 45 -2.320 8.359 2.982 1.00 0.00 N ATOM 666 CA ALA A 45 -2.089 7.891 1.621 1.00 0.00 C ATOM 667 C ALA A 45 -2.249 9.026 0.615 1.00 0.00 C ATOM 668 O ALA A 45 -1.565 9.063 -0.409 1.00 0.00 O ATOM 669 CB ALA A 45 -3.038 6.749 1.287 1.00 0.00 C ATOM 0 H ALA A 45 -3.089 7.893 3.464 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.064 7.527 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.854 6.410 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.872 5.924 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.068 7.095 1.374 1.00 0.00 H new ATOM 675 N LEU A 46 -3.157 9.949 0.912 1.00 0.00 N ATOM 676 CA LEU A 46 -3.408 11.086 0.033 1.00 0.00 C ATOM 677 C LEU A 46 -2.218 12.040 0.024 1.00 0.00 C ATOM 678 O LEU A 46 -1.786 12.499 -1.033 1.00 0.00 O ATOM 679 CB LEU A 46 -4.669 11.829 0.475 1.00 0.00 C ATOM 680 CG LEU A 46 -5.958 11.007 0.503 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.050 11.751 1.256 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.412 10.679 -0.911 1.00 0.00 C ATOM 0 H LEU A 46 -3.732 9.933 1.755 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.554 10.707 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.498 12.233 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.818 12.679 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.758 10.071 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.960 11.150 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.726 11.934 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.249 12.702 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.331 10.094 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.594 11.604 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.637 10.104 -1.418 1.00 0.00 H new ATOM 694 N GLU A 47 -1.691 12.333 1.209 1.00 0.00 N ATOM 695 CA GLU A 47 -0.550 13.232 1.336 1.00 0.00 C ATOM 696 C GLU A 47 0.576 12.818 0.393 1.00 0.00 C ATOM 697 O GLU A 47 1.063 13.624 -0.401 1.00 0.00 O ATOM 698 CB GLU A 47 -0.042 13.245 2.780 1.00 0.00 C ATOM 699 CG GLU A 47 -0.709 14.296 3.650 1.00 0.00 C ATOM 700 CD GLU A 47 -0.015 15.642 3.575 1.00 0.00 C ATOM 701 OE1 GLU A 47 1.104 15.762 4.116 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.591 16.575 2.978 1.00 0.00 O ATOM 0 H GLU A 47 -2.036 11.961 2.094 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.878 14.235 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.205 12.262 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.034 13.418 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.749 14.410 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.718 13.953 4.685 1.00 0.00 H new ATOM 709 N LEU A 48 0.985 11.558 0.486 1.00 0.00 N ATOM 710 CA LEU A 48 2.054 11.036 -0.358 1.00 0.00 C ATOM 711 C LEU A 48 1.755 11.287 -1.833 1.00 0.00 C ATOM 712 O LEU A 48 2.651 11.241 -2.675 1.00 0.00 O ATOM 713 CB LEU A 48 2.241 9.538 -0.111 1.00 0.00 C ATOM 714 CG LEU A 48 2.375 9.110 1.351 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.330 7.595 1.470 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.663 9.656 1.950 1.00 0.00 C ATOM 0 H LEU A 48 0.593 10.878 1.138 1.00 0.00 H new ATOM 0 HA LEU A 48 2.975 11.558 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.393 9.010 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.131 9.210 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 48 1.534 9.522 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.427 7.309 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.381 7.227 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.150 7.161 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.742 9.342 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.516 9.273 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.655 10.745 1.899 1.00 0.00 H new ATOM 728 N GLY A 49 0.489 11.555 -2.137 1.00 0.00 N ATOM 729 CA GLY A 49 0.095 11.811 -3.510 1.00 0.00 C ATOM 730 C GLY A 49 -0.504 10.590 -4.179 1.00 0.00 C ATOM 731 O GLY A 49 -0.561 10.511 -5.406 1.00 0.00 O ATOM 0 H GLY A 49 -0.270 11.599 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.630 12.625 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.964 12.143 -4.078 1.00 0.00 H new ATOM 735 N ALA A 50 -0.950 9.633 -3.371 1.00 0.00 N ATOM 736 CA ALA A 50 -1.548 8.410 -3.892 1.00 0.00 C ATOM 737 C ALA A 50 -3.068 8.518 -3.938 1.00 0.00 C ATOM 738 O ALA A 50 -3.686 9.113 -3.055 1.00 0.00 O ATOM 739 CB ALA A 50 -1.126 7.216 -3.049 1.00 0.00 C ATOM 0 H ALA A 50 -0.908 9.682 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.190 8.265 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.580 6.309 -3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.041 7.119 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.455 7.363 -2.020 1.00 0.00 H new ATOM 745 N LYS A 51 -3.667 7.939 -4.973 1.00 0.00 N ATOM 746 CA LYS A 51 -5.116 7.969 -5.135 1.00 0.00 C ATOM 747 C LYS A 51 -5.772 6.824 -4.369 1.00 0.00 C ATOM 748 O LYS A 51 -5.333 5.677 -4.452 1.00 0.00 O ATOM 749 CB LYS A 51 -5.486 7.884 -6.617 1.00 0.00 C ATOM 750 CG LYS A 51 -5.316 9.196 -7.363 1.00 0.00 C ATOM 751 CD LYS A 51 -3.877 9.405 -7.804 1.00 0.00 C ATOM 752 CE LYS A 51 -3.613 8.771 -9.161 1.00 0.00 C ATOM 753 NZ LYS A 51 -3.888 9.717 -10.278 1.00 0.00 N ATOM 0 H LYS A 51 -3.171 7.443 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.483 8.912 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.869 7.122 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.522 7.557 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.970 9.207 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.625 10.022 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.661 10.472 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.202 8.976 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.575 8.441 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.236 7.884 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.696 9.247 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.884 10.013 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.276 10.552 -10.184 1.00 0.00 H new ATOM 767 N TYR A 52 -6.826 7.143 -3.627 1.00 0.00 N ATOM 768 CA TYR A 52 -7.542 6.142 -2.846 1.00 0.00 C ATOM 769 C TYR A 52 -8.804 5.685 -3.572 1.00 0.00 C ATOM 770 O TYR A 52 -9.727 6.470 -3.791 1.00 0.00 O ATOM 771 CB TYR A 52 -7.907 6.702 -1.470 1.00 0.00 C ATOM 772 CG TYR A 52 -9.142 6.071 -0.867 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.141 4.741 -0.466 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.309 6.805 -0.698 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.267 4.160 0.084 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.439 6.233 -0.147 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.413 4.910 0.242 1.00 0.00 C ATOM 778 OH TYR A 52 -12.537 4.336 0.791 1.00 0.00 O ATOM 0 H TYR A 52 -7.204 8.087 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.886 5.281 -2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.066 6.554 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.063 7.777 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.244 4.151 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.333 7.841 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.250 3.124 0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.338 6.818 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.256 5.000 0.833 1.00 0.00 H new ATOM 788 N ARG A 53 -8.836 4.409 -3.943 1.00 0.00 N ATOM 789 CA ARG A 53 -9.983 3.846 -4.645 1.00 0.00 C ATOM 790 C ARG A 53 -10.768 2.905 -3.737 1.00 0.00 C ATOM 791 O ARG A 53 -10.205 2.186 -2.911 1.00 0.00 O ATOM 792 CB ARG A 53 -9.524 3.097 -5.898 1.00 0.00 C ATOM 793 CG ARG A 53 -9.042 4.012 -7.012 1.00 0.00 C ATOM 794 CD ARG A 53 -10.189 4.452 -7.907 1.00 0.00 C ATOM 795 NE ARG A 53 -10.952 5.550 -7.320 1.00 0.00 N ATOM 796 CZ ARG A 53 -12.065 6.041 -7.854 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.542 5.533 -8.982 1.00 0.00 N ATOM 798 NH2 ARG A 53 -12.702 7.042 -7.260 1.00 0.00 N ATOM 0 H ARG A 53 -8.081 3.746 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.636 4.668 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.720 2.413 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.349 2.489 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.559 4.889 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.291 3.495 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.795 4.761 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.852 3.606 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.612 5.963 -6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.054 4.764 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.397 5.911 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.337 7.435 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.556 7.418 -7.671 1.00 0.00 H new ATOM 812 N PRO A 54 -12.101 2.909 -3.890 1.00 0.00 N ATOM 813 CA PRO A 54 -12.992 2.062 -3.092 1.00 0.00 C ATOM 814 C PRO A 54 -12.858 0.585 -3.446 1.00 0.00 C ATOM 815 O PRO A 54 -13.191 -0.288 -2.644 1.00 0.00 O ATOM 816 CB PRO A 54 -14.388 2.574 -3.456 1.00 0.00 C ATOM 817 CG PRO A 54 -14.231 3.172 -4.811 1.00 0.00 C ATOM 818 CD PRO A 54 -12.840 3.741 -4.854 1.00 0.00 C ATOM 0 HA PRO A 54 -12.765 2.121 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.117 1.764 -3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.739 3.313 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.369 2.420 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.976 3.949 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.410 3.676 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.827 4.793 -4.569 1.00 0.00 H new ATOM 826 N ASP A 55 -12.368 0.312 -4.650 1.00 0.00 N ATOM 827 CA ASP A 55 -12.188 -1.060 -5.109 1.00 0.00 C ATOM 828 C ASP A 55 -11.076 -1.144 -6.150 1.00 0.00 C ATOM 829 O ASP A 55 -10.727 -0.146 -6.781 1.00 0.00 O ATOM 830 CB ASP A 55 -13.494 -1.600 -5.696 1.00 0.00 C ATOM 831 CG ASP A 55 -14.699 -1.250 -4.845 1.00 0.00 C ATOM 832 OD1 ASP A 55 -15.029 -0.050 -4.748 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.311 -2.177 -4.274 1.00 0.00 O ATOM 0 H ASP A 55 -12.088 1.023 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.905 -1.669 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.632 -1.197 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.424 -2.683 -5.794 1.00 0.00 H new ATOM 838 N TRP A 56 -10.523 -2.339 -6.322 1.00 0.00 N ATOM 839 CA TRP A 56 -9.449 -2.552 -7.285 1.00 0.00 C ATOM 840 C TRP A 56 -9.909 -2.211 -8.698 1.00 0.00 C ATOM 841 O TRP A 56 -10.972 -2.649 -9.139 1.00 0.00 O ATOM 842 CB TRP A 56 -8.965 -4.002 -7.229 1.00 0.00 C ATOM 843 CG TRP A 56 -7.692 -4.234 -7.985 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.558 -4.858 -9.192 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.374 -3.846 -7.583 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.235 -4.881 -9.565 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.489 -4.266 -8.595 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.855 -3.183 -6.467 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.116 -4.045 -8.522 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.493 -2.964 -6.396 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.636 -3.393 -7.418 1.00 0.00 C ATOM 0 H TRP A 56 -10.800 -3.175 -5.807 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.623 -1.891 -7.022 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.818 -4.288 -6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.742 -4.652 -7.632 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.372 -5.272 -9.769 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.868 -5.290 -10.425 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.507 -2.848 -5.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.454 -4.376 -9.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.082 -2.453 -5.538 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.576 -3.206 -7.333 1.00 0.00 H new ATOM 862 N THR A 57 -9.102 -1.427 -9.406 1.00 0.00 N ATOM 863 CA THR A 57 -9.428 -1.027 -10.769 1.00 0.00 C ATOM 864 C THR A 57 -8.204 -1.112 -11.674 1.00 0.00 C ATOM 865 O THR A 57 -7.090 -1.349 -11.207 1.00 0.00 O ATOM 866 CB THR A 57 -9.988 0.407 -10.815 1.00 0.00 C ATOM 867 OG1 THR A 57 -10.111 0.842 -12.174 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.086 1.365 -10.051 1.00 0.00 C ATOM 0 H THR A 57 -8.218 -1.056 -9.058 1.00 0.00 H new ATOM 0 HA THR A 57 -10.191 -1.718 -11.128 1.00 0.00 H new ATOM 0 HB THR A 57 -10.971 0.404 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.469 1.754 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.502 2.371 -10.098 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.018 1.048 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.092 1.362 -10.497 1.00 0.00 H new ATOM 876 N ARG A 58 -8.418 -0.915 -12.971 1.00 0.00 N ATOM 877 CA ARG A 58 -7.332 -0.970 -13.942 1.00 0.00 C ATOM 878 C ARG A 58 -6.334 0.160 -13.706 1.00 0.00 C ATOM 879 O ARG A 58 -5.248 0.173 -14.284 1.00 0.00 O ATOM 880 CB ARG A 58 -7.887 -0.886 -15.365 1.00 0.00 C ATOM 881 CG ARG A 58 -7.000 -1.552 -16.405 1.00 0.00 C ATOM 882 CD ARG A 58 -7.302 -3.038 -16.525 1.00 0.00 C ATOM 883 NE ARG A 58 -8.598 -3.283 -17.152 1.00 0.00 N ATOM 884 CZ ARG A 58 -9.196 -4.470 -17.164 1.00 0.00 C ATOM 885 NH1 ARG A 58 -8.617 -5.513 -16.586 1.00 0.00 N ATOM 886 NH2 ARG A 58 -10.375 -4.614 -17.755 1.00 0.00 N ATOM 0 H ARG A 58 -9.334 -0.716 -13.374 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.814 -1.921 -13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.873 -1.350 -15.389 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.022 0.162 -15.632 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.146 -1.071 -17.372 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.953 -1.413 -16.135 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.519 -3.521 -17.110 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.287 -3.492 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.070 -2.501 -17.605 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.711 -5.406 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.078 -6.423 -16.597 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.823 -3.813 -18.201 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.833 -5.525 -17.764 1.00 0.00 H new ATOM 900 N ASP A 59 -6.711 1.106 -12.853 1.00 0.00 N ATOM 901 CA ASP A 59 -5.850 2.241 -12.540 1.00 0.00 C ATOM 902 C ASP A 59 -5.057 1.984 -11.262 1.00 0.00 C ATOM 903 O ASP A 59 -4.094 2.691 -10.965 1.00 0.00 O ATOM 904 CB ASP A 59 -6.683 3.515 -12.391 1.00 0.00 C ATOM 905 CG ASP A 59 -5.890 4.766 -12.716 1.00 0.00 C ATOM 906 OD1 ASP A 59 -5.089 4.728 -13.673 1.00 0.00 O ATOM 907 OD2 ASP A 59 -6.071 5.782 -12.014 1.00 0.00 O ATOM 0 H ASP A 59 -7.607 1.110 -12.366 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.147 2.371 -13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.551 3.457 -13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.060 3.582 -11.370 1.00 0.00 H new ATOM 912 N SER A 60 -5.469 0.969 -10.510 1.00 0.00 N ATOM 913 CA SER A 60 -4.801 0.622 -9.261 1.00 0.00 C ATOM 914 C SER A 60 -3.448 -0.030 -9.532 1.00 0.00 C ATOM 915 O SER A 60 -3.339 -0.946 -10.348 1.00 0.00 O ATOM 916 CB SER A 60 -5.677 -0.320 -8.433 1.00 0.00 C ATOM 917 OG SER A 60 -6.594 0.407 -7.634 1.00 0.00 O ATOM 0 H SER A 60 -6.262 0.372 -10.744 1.00 0.00 H new ATOM 0 HA SER A 60 -4.636 1.541 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.221 -0.992 -9.096 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.047 -0.941 -7.796 1.00 0.00 H new ATOM 0 HG SER A 60 -6.944 1.165 -8.146 1.00 0.00 H new ATOM 923 N THR A 61 -2.418 0.450 -8.842 1.00 0.00 N ATOM 924 CA THR A 61 -1.072 -0.083 -9.007 1.00 0.00 C ATOM 925 C THR A 61 -0.657 -0.914 -7.799 1.00 0.00 C ATOM 926 O THR A 61 -0.123 -2.008 -7.975 1.00 0.00 O ATOM 927 CB THR A 61 -0.043 1.043 -9.219 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.153 2.010 -8.168 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.253 1.722 -10.564 1.00 0.00 C ATOM 0 H THR A 61 -2.491 1.208 -8.163 1.00 0.00 H new ATOM 0 HA THR A 61 -1.091 -0.719 -9.892 1.00 0.00 H new ATOM 0 HB THR A 61 0.954 0.602 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.466 1.779 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.485 2.514 -10.691 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.141 0.989 -11.363 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.255 2.150 -10.603 1.00 0.00 H new ATOM 937 N HIS A 62 -0.909 -0.385 -6.610 1.00 0.00 N ATOM 938 CA HIS A 62 -0.558 -1.088 -5.388 1.00 0.00 C ATOM 939 C HIS A 62 -1.816 -1.320 -4.550 1.00 0.00 C ATOM 940 O HIS A 62 -2.869 -0.722 -4.773 1.00 0.00 O ATOM 941 CB HIS A 62 0.534 -0.337 -4.624 1.00 0.00 C ATOM 942 CG HIS A 62 1.815 -0.156 -5.402 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.905 0.656 -6.520 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.056 -0.688 -5.213 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.148 0.606 -6.975 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.860 -0.228 -6.163 1.00 0.00 N ATOM 0 H HIS A 62 -1.352 0.523 -6.467 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.142 -2.065 -5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.154 0.643 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.754 -0.876 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.337 -1.369 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.531 1.133 -7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.848 -0.460 -6.269 1.00 0.00 H new ATOM 954 N LEU A 63 -1.683 -2.209 -3.572 1.00 0.00 N ATOM 955 CA LEU A 63 -2.791 -2.542 -2.683 1.00 0.00 C ATOM 956 C LEU A 63 -2.353 -2.492 -1.223 1.00 0.00 C ATOM 957 O LEU A 63 -1.342 -3.086 -0.848 1.00 0.00 O ATOM 958 CB LEU A 63 -3.338 -3.931 -3.016 1.00 0.00 C ATOM 959 CG LEU A 63 -4.265 -4.555 -1.972 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.690 -4.059 -2.159 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.211 -6.074 -2.052 1.00 0.00 C ATOM 0 H LEU A 63 -0.818 -2.713 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.578 -1.803 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.877 -3.870 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.495 -4.604 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.924 -4.251 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.335 -4.514 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.715 -2.975 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.043 -4.333 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.877 -6.502 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.526 -6.398 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.191 -6.412 -1.867 1.00 0.00 H new ATOM 973 N ILE A 64 -3.121 -1.781 -0.404 1.00 0.00 N ATOM 974 CA ILE A 64 -2.813 -1.657 1.015 1.00 0.00 C ATOM 975 C ILE A 64 -3.605 -2.666 1.839 1.00 0.00 C ATOM 976 O ILE A 64 -4.722 -2.385 2.277 1.00 0.00 O ATOM 977 CB ILE A 64 -3.113 -0.238 1.534 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.479 0.809 0.617 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.608 -0.078 2.960 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.966 0.791 0.635 1.00 0.00 C ATOM 0 H ILE A 64 -3.961 -1.282 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.747 -1.858 1.126 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.193 -0.087 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.824 0.643 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.826 1.799 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.827 0.930 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.103 -0.804 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.531 -0.245 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.585 1.559 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.612 0.987 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.610 -0.186 0.309 1.00 0.00 H new ATOM 992 N CYS A 65 -3.020 -3.840 2.049 1.00 0.00 N ATOM 993 CA CYS A 65 -3.671 -4.891 2.823 1.00 0.00 C ATOM 994 C CYS A 65 -3.256 -4.823 4.289 1.00 0.00 C ATOM 995 O CYS A 65 -2.096 -4.558 4.604 1.00 0.00 O ATOM 996 CB CYS A 65 -3.326 -6.265 2.245 1.00 0.00 C ATOM 997 SG CYS A 65 -4.282 -7.625 2.956 1.00 0.00 S ATOM 0 H CYS A 65 -2.096 -4.088 1.694 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.749 -4.739 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.488 -6.245 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.265 -6.458 2.404 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.672 -8.080 4.010 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.211 -5.064 5.180 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.945 -5.031 6.613 1.00 0.00 C ATOM 1005 C ALA A 66 -3.309 -6.334 7.084 1.00 0.00 C ATOM 1006 O ALA A 66 -2.460 -6.336 7.976 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.230 -4.761 7.382 1.00 0.00 C ATOM 0 H ALA A 66 -5.176 -5.284 4.935 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.241 -4.222 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.017 -4.739 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.643 -3.800 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.952 -5.550 7.172 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.724 -7.442 6.479 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.196 -8.753 6.838 1.00 0.00 C ATOM 1015 C PHE A 67 -3.481 -9.774 5.739 1.00 0.00 C ATOM 1016 O PHE A 67 -4.424 -9.620 4.965 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.803 -9.227 8.160 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.216 -8.764 8.371 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.275 -9.434 7.779 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.486 -7.658 9.161 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.576 -9.009 7.971 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.785 -7.228 9.356 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.831 -7.905 8.762 1.00 0.00 C ATOM 0 H PHE A 67 -4.424 -7.458 5.738 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.116 -8.662 6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.777 -10.316 8.192 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.185 -8.869 8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.081 -10.298 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.672 -7.126 9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.392 -9.539 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.981 -6.363 9.972 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.847 -7.572 8.915 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.657 -10.815 5.679 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.820 -11.861 4.678 1.00 0.00 C ATOM 1035 C ALA A 68 -4.085 -12.674 4.934 1.00 0.00 C ATOM 1036 O ALA A 68 -4.826 -12.405 5.879 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.601 -12.771 4.661 1.00 0.00 C ATOM 0 H ALA A 68 -1.870 -10.956 6.312 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.917 -11.383 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.737 -13.548 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.713 -12.186 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.478 -13.233 5.641 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.326 -13.668 4.085 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.503 -14.518 4.219 1.00 0.00 C ATOM 1045 C ASN A 69 -6.782 -13.717 3.996 1.00 0.00 C ATOM 1046 O ASN A 69 -7.813 -13.986 4.614 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.532 -15.170 5.603 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.148 -15.553 6.091 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.477 -16.394 5.492 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.714 -14.935 7.183 1.00 0.00 N ATOM 0 H ASN A 69 -3.722 -13.904 3.298 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.446 -15.297 3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.988 -14.483 6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.161 -16.059 5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.790 -15.151 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.304 -14.245 7.647 1.00 0.00 H new ATOM 1057 N THR A 70 -6.709 -12.731 3.107 1.00 0.00 N ATOM 1058 CA THR A 70 -7.859 -11.890 2.802 1.00 0.00 C ATOM 1059 C THR A 70 -8.418 -12.204 1.419 1.00 0.00 C ATOM 1060 O THR A 70 -7.734 -12.754 0.556 1.00 0.00 O ATOM 1061 CB THR A 70 -7.495 -10.395 2.869 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.121 -10.208 2.511 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.742 -9.839 4.263 1.00 0.00 C ATOM 0 H THR A 70 -5.865 -12.496 2.586 1.00 0.00 H new ATOM 0 HA THR A 70 -8.617 -12.106 3.555 1.00 0.00 H new ATOM 0 HB THR A 70 -8.129 -9.858 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.838 -9.304 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.478 -8.782 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.795 -9.955 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.131 -10.381 4.985 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.692 -11.846 1.200 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.371 -12.079 -0.079 1.00 0.00 C ATOM 1073 C PRO A 71 -9.827 -11.193 -1.194 1.00 0.00 C ATOM 1074 O PRO A 71 -9.928 -11.529 -2.374 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.829 -11.724 0.224 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.757 -10.766 1.363 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.568 -11.186 2.182 1.00 0.00 C ATOM 0 HA PRO A 71 -10.232 -13.100 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.315 -11.274 -0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.406 -12.610 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.643 -9.743 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.670 -10.796 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.078 -10.330 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.853 -11.865 2.986 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.250 -10.058 -0.813 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.688 -9.123 -1.780 1.00 0.00 C ATOM 1087 C LYS A 72 -7.222 -9.440 -2.055 1.00 0.00 C ATOM 1088 O LYS A 72 -6.678 -9.060 -3.092 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.824 -7.686 -1.270 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.672 -6.638 -2.358 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.967 -6.441 -3.128 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.025 -5.069 -3.781 1.00 0.00 C ATOM 1093 NZ LYS A 72 -10.585 -4.040 -2.862 1.00 0.00 N ATOM 0 H LYS A 72 -9.159 -9.764 0.159 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.244 -9.225 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.799 -7.568 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.073 -7.510 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.365 -5.692 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.881 -6.938 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.058 -7.213 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.814 -6.560 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.023 -4.772 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.635 -5.121 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.438 -3.094 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.603 -4.207 -2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.106 -4.099 -1.941 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.587 -10.138 -1.120 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.183 -10.505 -1.261 1.00 0.00 C ATOM 1109 C TYR A 73 -4.995 -11.516 -2.389 1.00 0.00 C ATOM 1110 O TYR A 73 -4.025 -11.448 -3.143 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.651 -11.084 0.051 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.457 -11.993 -0.128 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.621 -13.325 -0.488 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.164 -11.522 0.063 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.533 -14.161 -0.653 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.070 -12.349 -0.100 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.260 -13.668 -0.458 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.173 -14.496 -0.621 1.00 0.00 O ATOM 0 H TYR A 73 -7.022 -10.461 -0.256 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.621 -9.604 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.377 -10.264 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.449 -11.639 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.617 -13.714 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.012 -10.490 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.679 -15.194 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.072 -11.966 0.052 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.381 -15.181 -1.290 1.00 0.00 H new ATOM 1128 N SER A 74 -5.931 -12.453 -2.496 1.00 0.00 N ATOM 1129 CA SER A 74 -5.869 -13.481 -3.529 1.00 0.00 C ATOM 1130 C SER A 74 -6.432 -12.961 -4.848 1.00 0.00 C ATOM 1131 O SER A 74 -6.276 -13.592 -5.893 1.00 0.00 O ATOM 1132 CB SER A 74 -6.640 -14.726 -3.087 1.00 0.00 C ATOM 1133 OG SER A 74 -5.833 -15.567 -2.282 1.00 0.00 O ATOM 0 H SER A 74 -6.741 -12.522 -1.880 1.00 0.00 H new ATOM 0 HA SER A 74 -4.823 -13.746 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.529 -14.429 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.982 -15.276 -3.964 1.00 0.00 H new ATOM 0 HG SER A 74 -6.350 -16.355 -2.011 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.088 -11.807 -4.790 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.676 -11.202 -5.979 1.00 0.00 C ATOM 1141 C GLN A 75 -6.644 -10.367 -6.732 1.00 0.00 C ATOM 1142 O GLN A 75 -6.476 -10.514 -7.943 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.872 -10.330 -5.595 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.807 -10.033 -6.757 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.478 -11.280 -7.299 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.551 -11.671 -6.840 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -9.847 -11.911 -8.283 1.00 0.00 N ATOM 0 H GLN A 75 -7.226 -11.272 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.016 -12.004 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.435 -10.827 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.508 -9.389 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.570 -9.326 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.245 -9.551 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.959 -11.551 -8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.251 -12.755 -8.689 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.956 -9.491 -6.007 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.941 -8.634 -6.606 1.00 0.00 C ATOM 1158 C VAL A 76 -3.664 -9.415 -6.898 1.00 0.00 C ATOM 1159 O VAL A 76 -2.797 -8.954 -7.642 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.602 -7.441 -5.692 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.633 -6.495 -6.384 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.871 -6.710 -5.279 1.00 0.00 C ATOM 0 H VAL A 76 -6.083 -9.356 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.356 -8.259 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.119 -7.821 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.406 -5.659 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.713 -7.028 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.085 -6.119 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.613 -5.870 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.384 -6.341 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.526 -7.394 -4.740 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.555 -10.600 -6.307 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.383 -11.447 -6.504 1.00 0.00 C ATOM 1174 C LEU A 77 -2.383 -12.061 -7.900 1.00 0.00 C ATOM 1175 O LEU A 77 -1.387 -11.994 -8.619 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.347 -12.553 -5.448 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.288 -13.638 -5.648 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.108 -13.036 -5.600 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.436 -14.729 -4.598 1.00 0.00 C ATOM 0 H LEU A 77 -4.263 -10.996 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.494 -10.825 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.187 -12.092 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.326 -13.031 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.436 -14.086 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.849 -13.823 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.211 -12.292 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.267 -12.561 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.674 -15.492 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.316 -14.297 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.425 -15.181 -4.680 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.510 -12.657 -8.279 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.620 -13.272 -9.589 1.00 0.00 C ATOM 1193 C GLY A 78 -3.548 -12.258 -10.714 1.00 0.00 C ATOM 1194 O GLY A 78 -2.909 -12.500 -11.738 1.00 0.00 O ATOM 0 H GLY A 78 -4.348 -12.725 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.821 -14.003 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.563 -13.816 -9.654 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.206 -11.119 -10.524 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.216 -10.065 -11.532 1.00 0.00 C ATOM 1200 C LEU A 79 -2.795 -9.649 -11.899 1.00 0.00 C ATOM 1201 O LEU A 79 -2.453 -9.543 -13.077 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.998 -8.853 -11.023 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.520 -8.996 -11.002 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.136 -8.015 -10.017 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.094 -8.787 -12.396 1.00 0.00 C ATOM 0 H LEU A 79 -4.739 -10.902 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.703 -10.456 -12.425 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.661 -8.627 -10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.742 -7.994 -11.644 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.766 -10.007 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.220 -8.132 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.749 -8.212 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.881 -6.997 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.178 -8.892 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.837 -7.788 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.678 -9.530 -13.076 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.969 -9.418 -10.883 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.594 -9.020 -11.120 1.00 0.00 C ATOM 1219 C GLY A 80 -0.265 -7.676 -10.500 1.00 0.00 C ATOM 1220 O GLY A 80 0.649 -6.985 -10.948 1.00 0.00 O ATOM 0 H GLY A 80 -2.228 -9.499 -9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.076 -9.778 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.412 -8.976 -12.194 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.014 -7.303 -9.467 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.783 -6.033 -8.803 1.00 0.00 C ATOM 1226 C GLY A 81 0.227 -6.143 -7.678 1.00 0.00 C ATOM 1227 O GLY A 81 0.469 -7.231 -7.156 1.00 0.00 O ATOM 0 H GLY A 81 -1.777 -7.857 -9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.432 -5.303 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.726 -5.657 -8.405 1.00 0.00 H new ATOM 1231 N ARG A 82 0.819 -5.013 -7.304 1.00 0.00 N ATOM 1232 CA ARG A 82 1.810 -4.987 -6.236 1.00 0.00 C ATOM 1233 C ARG A 82 1.136 -5.011 -4.868 1.00 0.00 C ATOM 1234 O ARG A 82 0.661 -3.984 -4.381 1.00 0.00 O ATOM 1235 CB ARG A 82 2.693 -3.744 -6.360 1.00 0.00 C ATOM 1236 CG ARG A 82 3.964 -3.814 -5.530 1.00 0.00 C ATOM 1237 CD ARG A 82 5.013 -4.695 -6.192 1.00 0.00 C ATOM 1238 NE ARG A 82 5.406 -4.187 -7.504 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.159 -4.868 -8.360 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.598 -6.079 -8.044 1.00 0.00 N ATOM 1241 NH2 ARG A 82 6.473 -4.339 -9.535 1.00 0.00 N ATOM 0 H ARG A 82 0.629 -4.104 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 82 2.432 -5.877 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.960 -3.602 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.119 -2.869 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.365 -2.810 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.732 -4.204 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.891 -4.758 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.622 -5.707 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 82 5.084 -3.258 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.357 -6.489 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.176 -6.600 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.136 -3.408 -9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.051 -4.863 -10.192 1.00 0.00 H new ATOM 1255 N ILE A 83 1.098 -6.188 -4.253 1.00 0.00 N ATOM 1256 CA ILE A 83 0.482 -6.344 -2.941 1.00 0.00 C ATOM 1257 C ILE A 83 1.489 -6.079 -1.826 1.00 0.00 C ATOM 1258 O ILE A 83 2.454 -6.825 -1.656 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.107 -7.756 -2.760 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.026 -8.102 -3.933 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.862 -7.850 -1.442 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.240 -9.589 -4.114 1.00 0.00 C ATOM 0 H ILE A 83 1.486 -7.047 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.324 -5.612 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 83 0.711 -8.476 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.992 -7.620 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.603 -7.690 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.272 -8.853 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.181 -7.641 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.674 -7.123 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.901 -9.761 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.282 -10.075 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.691 -10.004 -3.213 1.00 0.00 H new ATOM 1274 N VAL A 84 1.256 -5.013 -1.067 1.00 0.00 N ATOM 1275 CA VAL A 84 2.141 -4.651 0.034 1.00 0.00 C ATOM 1276 C VAL A 84 1.351 -4.400 1.314 1.00 0.00 C ATOM 1277 O VAL A 84 0.137 -4.199 1.277 1.00 0.00 O ATOM 1278 CB VAL A 84 2.967 -3.395 -0.300 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.032 -3.717 -1.338 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.061 -2.274 -0.785 1.00 0.00 C ATOM 0 H VAL A 84 0.462 -4.385 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 84 2.817 -5.492 0.186 1.00 0.00 H new ATOM 0 HB VAL A 84 3.468 -3.059 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.606 -2.818 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.699 -4.486 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.555 -4.079 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.662 -1.395 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.531 -2.597 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.340 -2.026 -0.006 1.00 0.00 H new ATOM 1290 N ARG A 85 2.048 -4.414 2.445 1.00 0.00 N ATOM 1291 CA ARG A 85 1.412 -4.188 3.737 1.00 0.00 C ATOM 1292 C ARG A 85 1.121 -2.705 3.949 1.00 0.00 C ATOM 1293 O ARG A 85 1.358 -1.883 3.065 1.00 0.00 O ATOM 1294 CB ARG A 85 2.302 -4.710 4.866 1.00 0.00 C ATOM 1295 CG ARG A 85 2.064 -6.174 5.203 1.00 0.00 C ATOM 1296 CD ARG A 85 3.208 -6.750 6.023 1.00 0.00 C ATOM 1297 NE ARG A 85 3.076 -8.192 6.209 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.837 -8.899 7.036 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.780 -8.300 7.750 1.00 0.00 N ATOM 1300 NH2 ARG A 85 3.656 -10.209 7.151 1.00 0.00 N ATOM 0 H ARG A 85 3.053 -4.579 2.493 1.00 0.00 H new ATOM 0 HA ARG A 85 0.467 -4.731 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.347 -4.576 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.132 -4.108 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.131 -6.274 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.950 -6.747 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.154 -6.534 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.239 -6.260 6.996 1.00 0.00 H new ATOM 0 HE ARG A 85 2.360 -8.683 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.922 -7.294 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.363 -8.846 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.932 -10.674 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.241 -10.751 7.787 1.00 0.00 H new ATOM 1314 N LYS A 86 0.604 -2.371 5.127 1.00 0.00 N ATOM 1315 CA LYS A 86 0.281 -0.988 5.456 1.00 0.00 C ATOM 1316 C LYS A 86 1.519 -0.241 5.943 1.00 0.00 C ATOM 1317 O LYS A 86 1.686 0.946 5.667 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.811 -0.940 6.527 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.426 -1.635 7.821 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.577 -1.647 8.813 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.187 -2.334 10.112 1.00 0.00 C ATOM 1322 NZ LYS A 86 -2.336 -2.434 11.054 1.00 0.00 N ATOM 0 H LYS A 86 0.400 -3.040 5.870 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.083 -0.500 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.052 0.101 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.716 -1.402 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.118 -2.659 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.432 -1.130 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.890 -0.624 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.433 -2.159 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.808 -3.333 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.376 -1.781 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.983 -2.635 12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.860 -1.536 11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.968 -3.202 10.750 1.00 0.00 H new ATOM 1336 N GLU A 87 2.383 -0.946 6.667 1.00 0.00 N ATOM 1337 CA GLU A 87 3.605 -0.348 7.191 1.00 0.00 C ATOM 1338 C GLU A 87 4.281 0.523 6.135 1.00 0.00 C ATOM 1339 O GLU A 87 5.034 1.441 6.462 1.00 0.00 O ATOM 1340 CB GLU A 87 4.571 -1.437 7.663 1.00 0.00 C ATOM 1341 CG GLU A 87 4.286 -1.934 9.071 1.00 0.00 C ATOM 1342 CD GLU A 87 2.939 -2.621 9.186 1.00 0.00 C ATOM 1343 OE1 GLU A 87 2.664 -3.526 8.370 1.00 0.00 O ATOM 1344 OE2 GLU A 87 2.160 -2.254 10.090 1.00 0.00 O ATOM 0 H GLU A 87 2.259 -1.930 6.904 1.00 0.00 H new ATOM 0 HA GLU A 87 3.336 0.282 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.522 -2.279 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.589 -1.050 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.070 -2.628 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.321 -1.093 9.763 1.00 0.00 H new ATOM 1351 N TRP A 88 4.007 0.227 4.870 1.00 0.00 N ATOM 1352 CA TRP A 88 4.588 0.982 3.766 1.00 0.00 C ATOM 1353 C TRP A 88 4.177 2.449 3.833 1.00 0.00 C ATOM 1354 O TRP A 88 5.023 3.343 3.810 1.00 0.00 O ATOM 1355 CB TRP A 88 4.159 0.379 2.427 1.00 0.00 C ATOM 1356 CG TRP A 88 4.804 1.038 1.245 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.126 1.347 1.100 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.154 1.469 0.045 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.337 1.945 -0.119 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.144 2.031 -0.786 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.834 1.434 -0.411 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.852 2.553 -2.043 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.545 1.953 -1.659 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.551 2.506 -2.464 1.00 0.00 C ATOM 0 H TRP A 88 3.386 -0.530 4.583 1.00 0.00 H new ATOM 0 HA TRP A 88 5.673 0.925 3.851 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.403 -0.683 2.420 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.076 0.457 2.332 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.893 1.150 1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.237 2.272 -0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.053 1.009 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.625 2.980 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.527 1.932 -2.020 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.294 2.903 -3.435 1.00 0.00 H new ATOM 1375 N VAL A 89 2.872 2.689 3.915 1.00 0.00 N ATOM 1376 CA VAL A 89 2.349 4.048 3.987 1.00 0.00 C ATOM 1377 C VAL A 89 2.761 4.728 5.288 1.00 0.00 C ATOM 1378 O VAL A 89 3.345 5.813 5.276 1.00 0.00 O ATOM 1379 CB VAL A 89 0.812 4.065 3.876 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.277 5.473 4.084 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.370 3.510 2.531 1.00 0.00 C ATOM 0 H VAL A 89 2.158 1.961 3.933 1.00 0.00 H new ATOM 0 HA VAL A 89 2.773 4.595 3.145 1.00 0.00 H new ATOM 0 HB VAL A 89 0.401 3.428 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.810 5.465 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.564 5.829 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.693 6.136 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.718 3.529 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.790 4.119 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.721 2.483 2.428 1.00 0.00 H new ATOM 1391 N LEU A 90 2.454 4.084 6.408 1.00 0.00 N ATOM 1392 CA LEU A 90 2.793 4.626 7.719 1.00 0.00 C ATOM 1393 C LEU A 90 4.243 5.099 7.755 1.00 0.00 C ATOM 1394 O LEU A 90 4.521 6.257 8.070 1.00 0.00 O ATOM 1395 CB LEU A 90 2.563 3.572 8.804 1.00 0.00 C ATOM 1396 CG LEU A 90 1.140 3.023 8.914 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.112 1.784 9.796 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.198 4.088 9.458 1.00 0.00 C ATOM 0 H LEU A 90 1.971 3.186 6.435 1.00 0.00 H new ATOM 0 HA LEU A 90 2.145 5.482 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.240 2.738 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.840 4.003 9.766 1.00 0.00 H new ATOM 0 HG LEU A 90 0.802 2.742 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.091 1.408 9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.755 1.016 9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.470 2.039 10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.810 3.680 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.534 4.400 10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.195 4.948 8.788 1.00 0.00 H new ATOM 1410 N ASP A 91 5.162 4.198 7.428 1.00 0.00 N ATOM 1411 CA ASP A 91 6.584 4.524 7.418 1.00 0.00 C ATOM 1412 C ASP A 91 6.870 5.679 6.464 1.00 0.00 C ATOM 1413 O ASP A 91 7.598 6.613 6.804 1.00 0.00 O ATOM 1414 CB ASP A 91 7.407 3.299 7.018 1.00 0.00 C ATOM 1415 CG ASP A 91 8.821 3.348 7.563 1.00 0.00 C ATOM 1416 OD1 ASP A 91 9.080 4.171 8.466 1.00 0.00 O ATOM 1417 OD2 ASP A 91 9.669 2.564 7.087 1.00 0.00 O ATOM 0 H ASP A 91 4.948 3.236 7.166 1.00 0.00 H new ATOM 0 HA ASP A 91 6.869 4.830 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.912 2.398 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.442 3.228 5.931 1.00 0.00 H new ATOM 1422 N CYS A 92 6.294 5.609 5.269 1.00 0.00 N ATOM 1423 CA CYS A 92 6.489 6.648 4.264 1.00 0.00 C ATOM 1424 C CYS A 92 6.118 8.019 4.821 1.00 0.00 C ATOM 1425 O CYS A 92 6.972 8.903 4.862 1.00 0.00 O ATOM 1426 CB CYS A 92 5.654 6.346 3.019 1.00 0.00 C ATOM 1427 SG CYS A 92 6.441 5.203 1.861 1.00 0.00 S ATOM 0 H CYS A 92 5.688 4.844 4.972 1.00 0.00 H new ATOM 0 HA CYS A 92 7.544 6.661 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.696 5.929 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.442 7.282 2.501 1.00 0.00 H new ATOM 0 HG CYS A 92 6.118 3.982 2.169 1.00 0.00 H new ATOM 1433 N HIS A 93 4.866 8.164 5.229 1.00 0.00 N ATOM 1434 CA HIS A 93 4.399 9.427 5.776 1.00 0.00 C ATOM 1435 C HIS A 93 5.275 9.827 6.965 1.00 0.00 C ATOM 1436 O HIS A 93 5.827 10.926 7.029 1.00 0.00 O ATOM 1437 CB HIS A 93 2.914 9.349 6.134 1.00 0.00 C ATOM 1438 CG HIS A 93 2.297 10.680 6.491 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.185 11.128 7.796 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.761 11.654 5.702 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.606 12.319 7.780 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.343 12.644 6.482 1.00 0.00 N ATOM 0 H HIS A 93 4.161 7.428 5.192 1.00 0.00 H new ATOM 0 HA HIS A 93 4.490 10.209 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.370 8.922 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.789 8.665 6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.689 11.625 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.381 12.927 8.644 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.899 13.505 6.163 1.00 0.00 H new ATOM 1450 N ARG A 94 5.391 8.903 7.913 1.00 0.00 N ATOM 1451 CA ARG A 94 6.190 9.132 9.110 1.00 0.00 C ATOM 1452 C ARG A 94 7.530 9.771 8.755 1.00 0.00 C ATOM 1453 O ARG A 94 7.851 10.863 9.223 1.00 0.00 O ATOM 1454 CB ARG A 94 6.422 7.816 9.854 1.00 0.00 C ATOM 1455 CG ARG A 94 7.713 7.789 10.656 1.00 0.00 C ATOM 1456 CD ARG A 94 7.615 6.837 11.838 1.00 0.00 C ATOM 1457 NE ARG A 94 7.839 5.449 11.442 1.00 0.00 N ATOM 1458 CZ ARG A 94 7.542 4.408 12.212 1.00 0.00 C ATOM 1459 NH1 ARG A 94 7.013 4.597 13.413 1.00 0.00 N ATOM 1460 NH2 ARG A 94 7.775 3.175 11.782 1.00 0.00 N ATOM 0 H ARG A 94 4.941 7.988 7.875 1.00 0.00 H new ATOM 0 HA ARG A 94 5.641 9.815 9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.583 7.636 10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.435 6.998 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.537 7.486 10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.941 8.793 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.347 7.121 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.631 6.929 12.297 1.00 0.00 H new ATOM 0 HE ARG A 94 8.246 5.269 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.833 5.544 13.748 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.786 3.796 14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.183 3.025 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.546 2.377 12.374 1.00 0.00 H new ATOM 1474 N MET A 95 8.307 9.083 7.926 1.00 0.00 N ATOM 1475 CA MET A 95 9.611 9.584 7.508 1.00 0.00 C ATOM 1476 C MET A 95 9.472 10.553 6.339 1.00 0.00 C ATOM 1477 O MET A 95 10.460 11.110 5.861 1.00 0.00 O ATOM 1478 CB MET A 95 10.526 8.422 7.116 1.00 0.00 C ATOM 1479 CG MET A 95 10.851 7.488 8.271 1.00 0.00 C ATOM 1480 SD MET A 95 12.440 6.660 8.068 1.00 0.00 S ATOM 1481 CE MET A 95 11.943 5.189 7.176 1.00 0.00 C ATOM 0 H MET A 95 8.057 8.177 7.530 1.00 0.00 H new ATOM 0 HA MET A 95 10.054 10.118 8.349 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.051 7.850 6.319 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.455 8.823 6.711 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.858 8.056 9.201 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.064 6.739 8.360 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.699 4.942 6.431 1.00 0.00 H new ATOM 0 HE2 MET A 95 11.837 4.359 7.874 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.990 5.369 6.679 1.00 0.00 H new ATOM 1491 N ARG A 96 8.239 10.750 5.883 1.00 0.00 N ATOM 1492 CA ARG A 96 7.972 11.652 4.768 1.00 0.00 C ATOM 1493 C ARG A 96 8.979 11.438 3.642 1.00 0.00 C ATOM 1494 O ARG A 96 9.510 12.396 3.081 1.00 0.00 O ATOM 1495 CB ARG A 96 8.018 13.107 5.239 1.00 0.00 C ATOM 1496 CG ARG A 96 7.116 13.391 6.429 1.00 0.00 C ATOM 1497 CD ARG A 96 6.994 14.883 6.692 1.00 0.00 C ATOM 1498 NE ARG A 96 6.093 15.172 7.804 1.00 0.00 N ATOM 1499 CZ ARG A 96 5.823 16.400 8.232 1.00 0.00 C ATOM 1500 NH1 ARG A 96 6.380 17.448 7.642 1.00 0.00 N ATOM 1501 NH2 ARG A 96 4.992 16.581 9.251 1.00 0.00 N ATOM 0 H ARG A 96 7.410 10.298 6.268 1.00 0.00 H new ATOM 0 HA ARG A 96 6.975 11.432 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.044 13.362 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.730 13.757 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.127 12.971 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.514 12.896 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.980 15.295 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.631 15.381 5.793 1.00 0.00 H new ATOM 0 HE ARG A 96 5.646 14.387 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.018 17.312 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.171 18.390 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.560 15.777 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.785 17.524 9.579 1.00 0.00 H new ATOM 1515 N ARG A 97 9.238 10.175 3.319 1.00 0.00 N ATOM 1516 CA ARG A 97 10.182 9.835 2.262 1.00 0.00 C ATOM 1517 C ARG A 97 9.687 8.640 1.453 1.00 0.00 C ATOM 1518 O ARG A 97 8.875 7.848 1.932 1.00 0.00 O ATOM 1519 CB ARG A 97 11.557 9.527 2.857 1.00 0.00 C ATOM 1520 CG ARG A 97 11.563 8.324 3.786 1.00 0.00 C ATOM 1521 CD ARG A 97 12.980 7.880 4.114 1.00 0.00 C ATOM 1522 NE ARG A 97 13.723 8.910 4.836 1.00 0.00 N ATOM 1523 CZ ARG A 97 15.005 8.798 5.163 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.684 7.708 4.834 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.611 9.778 5.821 1.00 0.00 N ATOM 0 H ARG A 97 8.807 9.370 3.774 1.00 0.00 H new ATOM 0 HA ARG A 97 10.266 10.693 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.264 9.352 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.910 10.400 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.036 8.572 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.021 7.501 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.945 6.970 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.505 7.634 3.191 1.00 0.00 H new ATOM 0 HE ARG A 97 13.230 9.762 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.222 6.952 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.669 7.625 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.092 10.618 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.596 9.691 6.072 1.00 0.00 H new ATOM 1539 N ARG A 98 10.180 8.517 0.225 1.00 0.00 N ATOM 1540 CA ARG A 98 9.786 7.420 -0.651 1.00 0.00 C ATOM 1541 C ARG A 98 10.541 6.143 -0.295 1.00 0.00 C ATOM 1542 O ARG A 98 11.737 6.020 -0.564 1.00 0.00 O ATOM 1543 CB ARG A 98 10.046 7.788 -2.113 1.00 0.00 C ATOM 1544 CG ARG A 98 9.491 6.777 -3.103 1.00 0.00 C ATOM 1545 CD ARG A 98 9.714 7.223 -4.539 1.00 0.00 C ATOM 1546 NE ARG A 98 9.597 6.114 -5.482 1.00 0.00 N ATOM 1547 CZ ARG A 98 8.436 5.617 -5.891 1.00 0.00 C ATOM 1548 NH1 ARG A 98 7.297 6.128 -5.444 1.00 0.00 N ATOM 1549 NH2 ARG A 98 8.411 4.606 -6.751 1.00 0.00 N ATOM 0 H ARG A 98 10.853 9.164 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 98 8.720 7.242 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.605 8.764 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.120 7.885 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.968 5.810 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.424 6.640 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.988 7.995 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.703 7.673 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 98 10.454 5.699 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.311 6.905 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.407 5.744 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.285 4.210 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.518 4.225 -7.064 1.00 0.00 H new ATOM 1563 N LEU A 99 9.835 5.195 0.312 1.00 0.00 N ATOM 1564 CA LEU A 99 10.438 3.926 0.706 1.00 0.00 C ATOM 1565 C LEU A 99 10.168 2.848 -0.339 1.00 0.00 C ATOM 1566 O LEU A 99 9.163 2.874 -1.049 1.00 0.00 O ATOM 1567 CB LEU A 99 9.897 3.482 2.065 1.00 0.00 C ATOM 1568 CG LEU A 99 10.082 4.470 3.217 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.284 4.028 4.434 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.556 4.612 3.567 1.00 0.00 C ATOM 0 H LEU A 99 8.845 5.281 0.542 1.00 0.00 H new ATOM 0 HA LEU A 99 11.516 4.071 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.832 3.274 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.380 2.543 2.337 1.00 0.00 H new ATOM 0 HG LEU A 99 9.709 5.443 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.428 4.744 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.226 3.979 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.625 3.044 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.668 5.319 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.954 3.642 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.103 4.977 2.697 1.00 0.00 H new ATOM 1582 N PRO A 100 11.086 1.874 -0.435 1.00 0.00 N ATOM 1583 CA PRO A 100 10.968 0.766 -1.388 1.00 0.00 C ATOM 1584 C PRO A 100 9.843 -0.196 -1.022 1.00 0.00 C ATOM 1585 O PRO A 100 9.950 -0.954 -0.058 1.00 0.00 O ATOM 1586 CB PRO A 100 12.325 0.065 -1.287 1.00 0.00 C ATOM 1587 CG PRO A 100 12.823 0.399 0.077 1.00 0.00 C ATOM 1588 CD PRO A 100 12.309 1.779 0.379 1.00 0.00 C ATOM 0 HA PRO A 100 10.727 1.116 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.225 -1.012 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.011 0.418 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.462 -0.321 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.912 0.372 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.096 1.905 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.034 2.546 0.106 1.00 0.00 H new ATOM 1596 N SER A 101 8.764 -0.160 -1.798 1.00 0.00 N ATOM 1597 CA SER A 101 7.617 -1.027 -1.553 1.00 0.00 C ATOM 1598 C SER A 101 7.972 -2.486 -1.822 1.00 0.00 C ATOM 1599 O SER A 101 7.206 -3.392 -1.494 1.00 0.00 O ATOM 1600 CB SER A 101 6.437 -0.607 -2.430 1.00 0.00 C ATOM 1601 OG SER A 101 6.675 -0.921 -3.791 1.00 0.00 O ATOM 0 H SER A 101 8.660 0.460 -2.601 1.00 0.00 H new ATOM 0 HA SER A 101 7.335 -0.927 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.531 -1.109 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.266 0.464 -2.325 1.00 0.00 H new ATOM 0 HG SER A 101 5.905 -0.644 -4.330 1.00 0.00 H new ATOM 1607 N GLN A 102 9.138 -2.704 -2.422 1.00 0.00 N ATOM 1608 CA GLN A 102 9.594 -4.053 -2.737 1.00 0.00 C ATOM 1609 C GLN A 102 9.955 -4.816 -1.467 1.00 0.00 C ATOM 1610 O GLN A 102 9.864 -6.042 -1.421 1.00 0.00 O ATOM 1611 CB GLN A 102 10.801 -4.000 -3.675 1.00 0.00 C ATOM 1612 CG GLN A 102 12.010 -3.304 -3.072 1.00 0.00 C ATOM 1613 CD GLN A 102 13.265 -3.488 -3.903 1.00 0.00 C ATOM 1614 OE1 GLN A 102 14.379 -3.470 -3.378 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.090 -3.667 -5.207 1.00 0.00 N ATOM 0 H GLN A 102 9.784 -1.965 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 102 8.779 -4.578 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.079 -5.016 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.516 -3.485 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.799 -2.239 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.184 -3.691 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.148 -3.675 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.897 -3.797 -5.817 1.00 0.00 H new ATOM 1624 N ARG A 103 10.366 -4.081 -0.438 1.00 0.00 N ATOM 1625 CA ARG A 103 10.742 -4.689 0.832 1.00 0.00 C ATOM 1626 C ARG A 103 9.508 -5.001 1.673 1.00 0.00 C ATOM 1627 O ARG A 103 9.612 -5.565 2.762 1.00 0.00 O ATOM 1628 CB ARG A 103 11.680 -3.761 1.608 1.00 0.00 C ATOM 1629 CG ARG A 103 13.131 -3.852 1.164 1.00 0.00 C ATOM 1630 CD ARG A 103 14.025 -2.943 1.993 1.00 0.00 C ATOM 1631 NE ARG A 103 15.435 -3.096 1.644 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.402 -2.333 2.141 1.00 0.00 C ATOM 1633 NH1 ARG A 103 16.112 -1.369 3.004 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.661 -2.533 1.775 1.00 0.00 N ATOM 0 H ARG A 103 10.447 -3.064 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 103 11.260 -5.624 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.337 -2.733 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.618 -4.000 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.476 -4.882 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.208 -3.579 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.725 -1.906 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.887 -3.166 3.051 1.00 0.00 H new ATOM 0 HE ARG A 103 15.691 -3.829 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.145 -1.212 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.856 -0.784 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.888 -3.273 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.403 -1.946 2.157 1.00 0.00 H new ATOM 1648 N TYR A 104 8.340 -4.629 1.161 1.00 0.00 N ATOM 1649 CA TYR A 104 7.086 -4.866 1.865 1.00 0.00 C ATOM 1650 C TYR A 104 6.156 -5.750 1.040 1.00 0.00 C ATOM 1651 O TYR A 104 4.942 -5.761 1.250 1.00 0.00 O ATOM 1652 CB TYR A 104 6.397 -3.538 2.183 1.00 0.00 C ATOM 1653 CG TYR A 104 7.299 -2.535 2.867 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.187 -1.757 2.133 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.265 -2.367 4.245 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.014 -0.841 2.753 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.087 -1.452 4.873 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.960 -0.691 4.123 1.00 0.00 C ATOM 1659 OH TYR A 104 9.782 0.221 4.745 1.00 0.00 O ATOM 0 H TYR A 104 8.236 -4.162 0.260 1.00 0.00 H new ATOM 0 HA TYR A 104 7.314 -5.382 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.021 -3.103 1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.533 -3.730 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.231 -1.871 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.584 -2.962 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.699 -0.245 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.047 -1.333 5.946 1.00 0.00 H new ATOM 0 HH TYR A 104 9.618 0.203 5.711 1.00 0.00 H new ATOM 1669 N LEU A 105 6.734 -6.490 0.101 1.00 0.00 N ATOM 1670 CA LEU A 105 5.959 -7.379 -0.757 1.00 0.00 C ATOM 1671 C LEU A 105 5.449 -8.585 0.026 1.00 0.00 C ATOM 1672 O LEU A 105 6.201 -9.222 0.762 1.00 0.00 O ATOM 1673 CB LEU A 105 6.808 -7.848 -1.940 1.00 0.00 C ATOM 1674 CG LEU A 105 7.006 -6.835 -3.068 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.223 -7.197 -3.904 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.761 -6.758 -3.940 1.00 0.00 C ATOM 0 H LEU A 105 7.737 -6.492 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 105 5.100 -6.822 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.789 -8.140 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.348 -8.743 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 105 7.176 -5.854 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.347 -6.465 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.111 -7.200 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.084 -8.187 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.920 -6.032 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.560 -7.737 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.910 -6.449 -3.333 1.00 0.00 H new ATOM 1688 N MET A 106 4.166 -8.892 -0.139 1.00 0.00 N ATOM 1689 CA MET A 106 3.557 -10.024 0.550 1.00 0.00 C ATOM 1690 C MET A 106 3.681 -11.297 -0.281 1.00 0.00 C ATOM 1691 O MET A 106 4.212 -12.304 0.186 1.00 0.00 O ATOM 1692 CB MET A 106 2.084 -9.735 0.846 1.00 0.00 C ATOM 1693 CG MET A 106 1.868 -8.900 2.098 1.00 0.00 C ATOM 1694 SD MET A 106 0.372 -7.897 2.014 1.00 0.00 S ATOM 1695 CE MET A 106 -0.498 -8.465 3.473 1.00 0.00 C ATOM 0 H MET A 106 3.529 -8.373 -0.743 1.00 0.00 H new ATOM 0 HA MET A 106 4.087 -10.173 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.645 -9.217 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.551 -10.680 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.811 -9.559 2.964 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.729 -8.249 2.249 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.001 -7.623 3.948 1.00 0.00 H new ATOM 0 HE2 MET A 106 -1.236 -9.214 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.213 -8.904 4.173 1.00 0.00 H new ATOM 1705 N ALA A 107 3.186 -11.245 -1.513 1.00 0.00 N ATOM 1706 CA ALA A 107 3.243 -12.393 -2.408 1.00 0.00 C ATOM 1707 C ALA A 107 3.851 -12.011 -3.754 1.00 0.00 C ATOM 1708 O ALA A 107 3.901 -12.823 -4.677 1.00 0.00 O ATOM 1709 CB ALA A 107 1.853 -12.980 -2.603 1.00 0.00 C ATOM 0 H ALA A 107 2.741 -10.419 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 107 3.883 -13.147 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.911 -13.837 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.455 -13.299 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.196 -12.225 -3.035 1.00 0.00 H new ATOM 1715 N GLY A 108 4.311 -10.768 -3.859 1.00 0.00 N ATOM 1716 CA GLY A 108 4.909 -10.300 -5.096 1.00 0.00 C ATOM 1717 C GLY A 108 6.335 -10.782 -5.269 1.00 0.00 C ATOM 1718 O GLY A 108 7.085 -10.930 -4.304 1.00 0.00 O ATOM 0 H GLY A 108 4.280 -10.077 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.308 -10.642 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.892 -9.210 -5.115 1.00 0.00 H new ATOM 1722 N PRO A 109 6.729 -11.038 -6.526 1.00 0.00 N ATOM 1723 CA PRO A 109 8.077 -11.511 -6.852 1.00 0.00 C ATOM 1724 C PRO A 109 9.137 -10.437 -6.634 1.00 0.00 C ATOM 1725 O PRO A 109 10.309 -10.742 -6.414 1.00 0.00 O ATOM 1726 CB PRO A 109 7.977 -11.870 -8.337 1.00 0.00 C ATOM 1727 CG PRO A 109 6.867 -11.025 -8.857 1.00 0.00 C ATOM 1728 CD PRO A 109 5.888 -10.883 -7.725 1.00 0.00 C ATOM 0 HA PRO A 109 8.381 -12.343 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.911 -11.661 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.765 -12.930 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.236 -10.051 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.396 -11.489 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.390 -9.914 -7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.108 -11.643 -7.770 1.00 0.00 H new ATOM 1736 N GLY A 110 8.718 -9.176 -6.697 1.00 0.00 N ATOM 1737 CA GLY A 110 9.644 -8.076 -6.504 1.00 0.00 C ATOM 1738 C GLY A 110 10.724 -8.398 -5.490 1.00 0.00 C ATOM 1739 O GLY A 110 10.433 -8.879 -4.395 1.00 0.00 O ATOM 0 H GLY A 110 7.754 -8.897 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.109 -7.825 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 110 9.093 -7.195 -6.176 1.00 0.00 H new ATOM 1743 N SER A 111 11.974 -8.134 -5.855 1.00 0.00 N ATOM 1744 CA SER A 111 13.102 -8.404 -4.971 1.00 0.00 C ATOM 1745 C SER A 111 14.147 -7.297 -5.070 1.00 0.00 C ATOM 1746 O SER A 111 13.977 -6.332 -5.815 1.00 0.00 O ATOM 1747 CB SER A 111 13.737 -9.752 -5.316 1.00 0.00 C ATOM 1748 OG SER A 111 12.814 -10.812 -5.134 1.00 0.00 O ATOM 0 H SER A 111 12.232 -7.733 -6.757 1.00 0.00 H new ATOM 0 HA SER A 111 12.729 -8.438 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.083 -9.741 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.613 -9.916 -4.688 1.00 0.00 H new ATOM 0 HG SER A 111 12.055 -10.693 -5.742 1.00 0.00 H new ATOM 1754 N SER A 112 15.230 -7.444 -4.312 1.00 0.00 N ATOM 1755 CA SER A 112 16.302 -6.456 -4.311 1.00 0.00 C ATOM 1756 C SER A 112 16.581 -5.955 -5.725 1.00 0.00 C ATOM 1757 O SER A 112 17.198 -6.652 -6.531 1.00 0.00 O ATOM 1758 CB SER A 112 17.574 -7.053 -3.708 1.00 0.00 C ATOM 1759 OG SER A 112 18.581 -6.067 -3.561 1.00 0.00 O ATOM 0 H SER A 112 15.388 -8.238 -3.691 1.00 0.00 H new ATOM 0 HA SER A 112 15.983 -5.610 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.348 -7.493 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.939 -7.858 -4.346 1.00 0.00 H new ATOM 0 HG SER A 112 19.383 -6.474 -3.172 1.00 0.00 H new ATOM 1765 N SER A 113 16.124 -4.743 -6.018 1.00 0.00 N ATOM 1766 CA SER A 113 16.320 -4.149 -7.335 1.00 0.00 C ATOM 1767 C SER A 113 16.267 -5.216 -8.425 1.00 0.00 C ATOM 1768 O SER A 113 17.027 -5.168 -9.391 1.00 0.00 O ATOM 1769 CB SER A 113 17.660 -3.413 -7.391 1.00 0.00 C ATOM 1770 OG SER A 113 17.733 -2.410 -6.393 1.00 0.00 O ATOM 0 H SER A 113 15.615 -4.152 -5.361 1.00 0.00 H new ATOM 0 HA SER A 113 15.514 -3.436 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 113 18.475 -4.124 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.790 -2.962 -8.375 1.00 0.00 H new ATOM 0 HG SER A 113 18.599 -1.956 -6.449 1.00 0.00 H new ATOM 1776 N GLU A 114 15.363 -6.176 -8.260 1.00 0.00 N ATOM 1777 CA GLU A 114 15.211 -7.255 -9.229 1.00 0.00 C ATOM 1778 C GLU A 114 13.957 -7.054 -10.075 1.00 0.00 C ATOM 1779 O GLU A 114 13.286 -8.017 -10.447 1.00 0.00 O ATOM 1780 CB GLU A 114 15.146 -8.607 -8.515 1.00 0.00 C ATOM 1781 CG GLU A 114 15.519 -9.783 -9.402 1.00 0.00 C ATOM 1782 CD GLU A 114 15.048 -11.110 -8.840 1.00 0.00 C ATOM 1783 OE1 GLU A 114 13.820 -11.295 -8.706 1.00 0.00 O ATOM 1784 OE2 GLU A 114 15.907 -11.963 -8.534 1.00 0.00 O ATOM 0 H GLU A 114 14.725 -6.229 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 114 16.079 -7.242 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.814 -8.586 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.137 -8.758 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.087 -9.638 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.601 -9.810 -9.528 1.00 0.00 H new ATOM 1791 N GLU A 115 13.648 -5.796 -10.375 1.00 0.00 N ATOM 1792 CA GLU A 115 12.474 -5.469 -11.175 1.00 0.00 C ATOM 1793 C GLU A 115 12.778 -4.333 -12.148 1.00 0.00 C ATOM 1794 O GLU A 115 13.870 -3.765 -12.134 1.00 0.00 O ATOM 1795 CB GLU A 115 11.303 -5.080 -10.269 1.00 0.00 C ATOM 1796 CG GLU A 115 10.757 -6.237 -9.449 1.00 0.00 C ATOM 1797 CD GLU A 115 9.855 -7.149 -10.257 1.00 0.00 C ATOM 1798 OE1 GLU A 115 10.021 -7.206 -11.493 1.00 0.00 O ATOM 1799 OE2 GLU A 115 8.982 -7.807 -9.652 1.00 0.00 O ATOM 0 H GLU A 115 14.194 -4.988 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 115 12.200 -6.354 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.625 -4.287 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.501 -4.670 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.588 -6.817 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.201 -5.844 -8.598 1.00 0.00 H new ATOM 1806 N ASP A 116 11.804 -4.008 -12.991 1.00 0.00 N ATOM 1807 CA ASP A 116 11.966 -2.940 -13.971 1.00 0.00 C ATOM 1808 C ASP A 116 11.462 -1.612 -13.416 1.00 0.00 C ATOM 1809 O ASP A 116 11.239 -0.661 -14.164 1.00 0.00 O ATOM 1810 CB ASP A 116 11.220 -3.285 -15.261 1.00 0.00 C ATOM 1811 CG ASP A 116 11.914 -2.743 -16.494 1.00 0.00 C ATOM 1812 OD1 ASP A 116 12.680 -1.765 -16.363 1.00 0.00 O ATOM 1813 OD2 ASP A 116 11.692 -3.296 -17.592 1.00 0.00 O ATOM 0 H ASP A 116 10.894 -4.469 -13.016 1.00 0.00 H new ATOM 0 HA ASP A 116 13.029 -2.841 -14.191 1.00 0.00 H new ATOM 0 HB2 ASP A 116 11.129 -4.368 -15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 116 10.208 -2.883 -15.211 1.00 0.00 H new ATOM 1818 N GLU A 117 11.284 -1.556 -12.099 1.00 0.00 N ATOM 1819 CA GLU A 117 10.804 -0.345 -11.445 1.00 0.00 C ATOM 1820 C GLU A 117 11.601 0.873 -11.903 1.00 0.00 C ATOM 1821 O GLU A 117 11.166 2.012 -11.734 1.00 0.00 O ATOM 1822 CB GLU A 117 10.899 -0.488 -9.925 1.00 0.00 C ATOM 1823 CG GLU A 117 9.915 0.389 -9.168 1.00 0.00 C ATOM 1824 CD GLU A 117 10.180 0.408 -7.675 1.00 0.00 C ATOM 1825 OE1 GLU A 117 9.680 -0.495 -6.972 1.00 0.00 O ATOM 1826 OE2 GLU A 117 10.887 1.326 -7.210 1.00 0.00 O ATOM 0 H GLU A 117 11.465 -2.335 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 117 9.760 -0.201 -11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.726 -1.530 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.912 -0.240 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.968 1.406 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.901 0.031 -9.349 1.00 0.00 H new ATOM 1833 N ALA A 118 12.770 0.624 -12.483 1.00 0.00 N ATOM 1834 CA ALA A 118 13.627 1.699 -12.967 1.00 0.00 C ATOM 1835 C ALA A 118 12.800 2.854 -13.521 1.00 0.00 C ATOM 1836 O ALA A 118 13.151 4.021 -13.347 1.00 0.00 O ATOM 1837 CB ALA A 118 14.583 1.174 -14.029 1.00 0.00 C ATOM 0 H ALA A 118 13.145 -0.313 -12.629 1.00 0.00 H new ATOM 0 HA ALA A 118 14.208 2.075 -12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 118 15.217 1.987 -14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 118 15.205 0.388 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 118 14.012 0.770 -14.865 1.00 0.00 H new ATOM 1843 N SER A 119 11.700 2.520 -14.190 1.00 0.00 N ATOM 1844 CA SER A 119 10.825 3.530 -14.774 1.00 0.00 C ATOM 1845 C SER A 119 9.959 4.184 -13.701 1.00 0.00 C ATOM 1846 O SER A 119 9.103 3.514 -13.126 1.00 0.00 O ATOM 1847 CB SER A 119 9.937 2.905 -15.851 1.00 0.00 C ATOM 1848 OG SER A 119 10.717 2.249 -16.836 1.00 0.00 O ATOM 0 H SER A 119 11.394 1.559 -14.341 1.00 0.00 H new ATOM 0 HA SER A 119 11.450 4.298 -15.230 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.250 2.193 -15.393 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.329 3.679 -16.320 1.00 0.00 H new ATOM 0 HG SER A 119 10.127 1.856 -17.512 1.00 0.00 H new ATOM 1854 N HIS A 120 10.197 5.465 -13.460 1.00 0.00 N ATOM 1855 CA HIS A 120 9.435 6.192 -12.459 1.00 0.00 C ATOM 1856 C HIS A 120 8.216 6.843 -13.117 1.00 0.00 C ATOM 1857 O HIS A 120 7.066 6.587 -12.757 1.00 0.00 O ATOM 1858 CB HIS A 120 10.322 7.201 -11.727 1.00 0.00 C ATOM 1859 CG HIS A 120 11.256 7.968 -12.632 1.00 0.00 C ATOM 1860 ND1 HIS A 120 11.024 9.279 -13.010 1.00 0.00 N ATOM 1861 CD2 HIS A 120 12.425 7.596 -13.228 1.00 0.00 C ATOM 1862 CE1 HIS A 120 12.015 9.668 -13.799 1.00 0.00 C ATOM 1863 NE2 HIS A 120 12.881 8.623 -13.933 1.00 0.00 N ATOM 0 H HIS A 120 10.907 6.018 -13.941 1.00 0.00 H new ATOM 0 HA HIS A 120 9.070 5.500 -11.700 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.687 7.908 -11.194 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.911 6.674 -10.977 1.00 0.00 H new ATOM 0 HD2 HIS A 120 12.899 6.629 -13.141 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.119 10.641 -14.256 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.739 8.630 -14.485 1.00 0.00 H new ATOM 1871 N SER A 121 8.494 7.696 -14.097 1.00 0.00 N ATOM 1872 CA SER A 121 7.442 8.401 -14.819 1.00 0.00 C ATOM 1873 C SER A 121 7.919 8.813 -16.208 1.00 0.00 C ATOM 1874 O SER A 121 9.093 8.662 -16.544 1.00 0.00 O ATOM 1875 CB SER A 121 6.993 9.635 -14.034 1.00 0.00 C ATOM 1876 OG SER A 121 5.662 9.993 -14.364 1.00 0.00 O ATOM 0 H SER A 121 9.440 7.916 -14.410 1.00 0.00 H new ATOM 0 HA SER A 121 6.596 7.723 -14.931 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.065 9.436 -12.965 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.661 10.469 -14.248 1.00 0.00 H new ATOM 0 HG SER A 121 5.398 10.783 -13.848 1.00 0.00 H new ATOM 1882 N GLY A 122 6.998 9.336 -17.013 1.00 0.00 N ATOM 1883 CA GLY A 122 7.343 9.762 -18.356 1.00 0.00 C ATOM 1884 C GLY A 122 6.989 11.213 -18.613 1.00 0.00 C ATOM 1885 O GLY A 122 5.850 11.531 -18.953 1.00 0.00 O ATOM 0 H GLY A 122 6.020 9.472 -16.758 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.412 9.618 -18.516 1.00 0.00 H new ATOM 0 HA3 GLY A 122 6.825 9.131 -19.078 1.00 0.00 H new ATOM 1889 N GLY A 123 7.967 12.098 -18.448 1.00 0.00 N ATOM 1890 CA GLY A 123 7.732 13.514 -18.666 1.00 0.00 C ATOM 1891 C GLY A 123 7.034 14.173 -17.493 1.00 0.00 C ATOM 1892 O GLY A 123 6.003 14.823 -17.662 1.00 0.00 O ATOM 0 H GLY A 123 8.918 11.860 -18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.684 14.014 -18.846 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.129 13.645 -19.564 1.00 0.00 H new ATOM 1896 N SER A 124 7.596 14.004 -16.301 1.00 0.00 N ATOM 1897 CA SER A 124 7.017 14.583 -15.094 1.00 0.00 C ATOM 1898 C SER A 124 7.696 15.905 -14.747 1.00 0.00 C ATOM 1899 O SER A 124 8.889 16.085 -14.987 1.00 0.00 O ATOM 1900 CB SER A 124 7.145 13.608 -13.922 1.00 0.00 C ATOM 1901 OG SER A 124 6.185 13.888 -12.919 1.00 0.00 O ATOM 0 H SER A 124 8.452 13.471 -16.145 1.00 0.00 H new ATOM 0 HA SER A 124 5.961 14.775 -15.283 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.015 12.586 -14.279 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.147 13.673 -13.499 1.00 0.00 H new ATOM 0 HG SER A 124 6.286 13.250 -12.182 1.00 0.00 H new ATOM 1907 N GLY A 125 6.924 16.828 -14.179 1.00 0.00 N ATOM 1908 CA GLY A 125 7.467 18.121 -13.808 1.00 0.00 C ATOM 1909 C GLY A 125 6.642 19.273 -14.348 1.00 0.00 C ATOM 1910 O GLY A 125 6.965 19.867 -15.376 1.00 0.00 O ATOM 0 H GLY A 125 5.934 16.703 -13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 125 7.517 18.192 -12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.488 18.203 -14.181 1.00 0.00 H new ATOM 1914 N PRO A 126 5.547 19.602 -13.646 1.00 0.00 N ATOM 1915 CA PRO A 126 4.650 20.691 -14.043 1.00 0.00 C ATOM 1916 C PRO A 126 5.293 22.063 -13.871 1.00 0.00 C ATOM 1917 O PRO A 126 5.315 22.615 -12.771 1.00 0.00 O ATOM 1918 CB PRO A 126 3.460 20.535 -13.093 1.00 0.00 C ATOM 1919 CG PRO A 126 4.019 19.845 -11.897 1.00 0.00 C ATOM 1920 CD PRO A 126 5.101 18.936 -12.411 1.00 0.00 C ATOM 0 HA PRO A 126 4.381 20.633 -15.098 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.035 21.503 -12.829 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.662 19.950 -13.551 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.420 20.565 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.247 19.278 -11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.915 18.834 -11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.723 17.933 -12.609 1.00 0.00 H new ATOM 1928 N SER A 127 5.814 22.609 -14.965 1.00 0.00 N ATOM 1929 CA SER A 127 6.460 23.916 -14.934 1.00 0.00 C ATOM 1930 C SER A 127 6.437 24.567 -16.313 1.00 0.00 C ATOM 1931 O SER A 127 5.909 24.000 -17.270 1.00 0.00 O ATOM 1932 CB SER A 127 7.904 23.783 -14.444 1.00 0.00 C ATOM 1933 OG SER A 127 7.966 23.802 -13.029 1.00 0.00 O ATOM 0 H SER A 127 5.801 22.167 -15.884 1.00 0.00 H new ATOM 0 HA SER A 127 5.906 24.551 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.334 22.854 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.505 24.597 -14.848 1.00 0.00 H new ATOM 0 HG SER A 127 7.119 23.476 -12.660 1.00 0.00 H new ATOM 1939 N SER A 128 7.013 25.761 -16.407 1.00 0.00 N ATOM 1940 CA SER A 128 7.056 26.492 -17.668 1.00 0.00 C ATOM 1941 C SER A 128 8.244 26.045 -18.515 1.00 0.00 C ATOM 1942 O SER A 128 9.396 26.166 -18.101 1.00 0.00 O ATOM 1943 CB SER A 128 7.139 27.997 -17.407 1.00 0.00 C ATOM 1944 OG SER A 128 5.867 28.528 -17.076 1.00 0.00 O ATOM 0 H SER A 128 7.456 26.243 -15.625 1.00 0.00 H new ATOM 0 HA SER A 128 6.139 26.276 -18.216 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.840 28.190 -16.595 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.528 28.502 -18.291 1.00 0.00 H new ATOM 0 HG SER A 128 5.947 29.491 -16.912 1.00 0.00 H new ATOM 1950 N GLY A 129 7.953 25.528 -19.705 1.00 0.00 N ATOM 1951 CA GLY A 129 9.006 25.070 -20.592 1.00 0.00 C ATOM 1952 C GLY A 129 9.149 25.946 -21.822 1.00 0.00 C ATOM 1953 O GLY A 129 8.359 26.865 -22.033 1.00 0.00 O ATOM 0 H GLY A 129 7.007 25.418 -20.070 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.952 25.053 -20.050 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.797 24.046 -20.901 1.00 0.00 H new TER 1957 GLY A 129