USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 GLN : amide:sc= 0.428 X(o=0.57,f=0.2) USER MOD Set 1.2: A 79 TYR OH : rot 101:sc= 0.14 USER MOD Set 2.1: A 54 SER OG : rot -30:sc= -0.732 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.502 X(o=-1.2,f=-1.1) USER MOD Set 3.1: A 29 TYR OH : rot 167:sc= 1.2 USER MOD Set 3.2: A 97 THR OG1 : rot 133:sc= 1.64 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.317 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.054 (180deg=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.69 K(o=-0.69,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0362 K(o=-0.036,f=-5.1!) USER MOD Single : A 38 SER OG : rot -76:sc= 0.223 USER MOD Single : A 47 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 179:sc= 0.571 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 59 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.0076) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 67 SER OG : rot 103:sc= 0.877 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 80:sc= -0.0923 USER MOD Single : A 89 HIS : +bothHN:sc= -2.21! C(o=-2.2!,f=-5.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.952 K(o=-0.95,f=-2!) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -77:sc= 0.458 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0279 X(o=-0.028,f=0.13) USER MOD Single : A 117 GLN : amide:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 125 ASN : amide:sc= -0.215 K(o=-0.21,f=-0.86) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -8.396 -1.184 -0.661 1.00 13.00 N ATOM 2 CA GLY A 2 -8.568 -0.057 -1.559 1.00 45.03 C ATOM 3 C GLY A 2 -7.335 0.822 -1.631 1.00 14.21 C ATOM 4 O GLY A 2 -6.782 1.042 -2.708 1.00 75.22 O ATOM 0 HA2 GLY A 2 -8.807 -0.425 -2.557 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -9.417 0.541 -1.228 1.00 45.03 H new ATOM 8 N ALA A 3 -6.904 1.327 -0.479 1.00 50.12 N ATOM 9 CA ALA A 3 -5.729 2.187 -0.414 1.00 23.32 C ATOM 10 C ALA A 3 -5.909 3.428 -1.282 1.00 54.52 C ATOM 11 O ALA A 3 -6.943 3.602 -1.927 1.00 13.13 O ATOM 12 CB ALA A 3 -4.488 1.418 -0.844 1.00 1.54 C ATOM 0 H ALA A 3 -7.351 1.155 0.421 1.00 50.12 H new ATOM 0 HA ALA A 3 -5.604 2.512 0.619 1.00 23.32 H new ATOM 0 HB1 ALA A 3 -3.618 2.072 -0.791 1.00 1.54 H new ATOM 0 HB2 ALA A 3 -4.341 0.565 -0.182 1.00 1.54 H new ATOM 0 HB3 ALA A 3 -4.615 1.066 -1.868 1.00 1.54 H new ATOM 18 N ARG A 4 -4.897 4.291 -1.289 1.00 62.30 N ATOM 19 CA ARG A 4 -4.945 5.518 -2.075 1.00 33.31 C ATOM 20 C ARG A 4 -4.384 5.289 -3.475 1.00 70.13 C ATOM 21 O ARG A 4 -3.442 5.961 -3.894 1.00 41.13 O ATOM 22 CB ARG A 4 -4.161 6.629 -1.375 1.00 14.12 C ATOM 23 CG ARG A 4 -4.617 8.028 -1.753 1.00 43.31 C ATOM 24 CD ARG A 4 -5.860 8.437 -0.979 1.00 45.23 C ATOM 25 NE ARG A 4 -5.539 9.298 0.157 1.00 64.11 N ATOM 26 CZ ARG A 4 -6.456 9.893 0.911 1.00 20.31 C ATOM 27 NH1 ARG A 4 -7.746 9.721 0.652 1.00 3.03 N1+ ATOM 28 NH2 ARG A 4 -6.086 10.662 1.927 1.00 12.34 N ATOM 0 H ARG A 4 -4.035 4.163 -0.759 1.00 62.30 H new ATOM 0 HA ARG A 4 -5.988 5.821 -2.165 1.00 33.31 H new ATOM 0 HB2 ARG A 4 -4.256 6.504 -0.296 1.00 14.12 H new ATOM 0 HB3 ARG A 4 -3.103 6.523 -1.617 1.00 14.12 H new ATOM 0 HG2 ARG A 4 -3.814 8.739 -1.557 1.00 43.31 H new ATOM 0 HG3 ARG A 4 -4.823 8.068 -2.823 1.00 43.31 H new ATOM 0 HD2 ARG A 4 -6.547 8.958 -1.646 1.00 45.23 H new ATOM 0 HD3 ARG A 4 -6.376 7.545 -0.623 1.00 45.23 H new ATOM 0 HE ARG A 4 -4.556 9.450 0.383 1.00 64.11 H new ATOM 0 HH11 ARG A 4 -8.035 9.131 -0.128 1.00 3.03 H new ATOM 0 HH12 ARG A 4 -8.448 10.179 1.233 1.00 3.03 H new ATOM 0 HH21 ARG A 4 -5.096 10.797 2.130 1.00 12.34 H new ATOM 0 HH22 ARG A 4 -6.792 11.118 2.505 1.00 12.34 H new ATOM 42 N ALA A 5 -4.968 4.336 -4.194 1.00 32.43 N ATOM 43 CA ALA A 5 -4.527 4.020 -5.546 1.00 71.11 C ATOM 44 C ALA A 5 -5.717 3.794 -6.473 1.00 32.33 C ATOM 45 O ALA A 5 -5.679 2.929 -7.348 1.00 43.11 O ATOM 46 CB ALA A 5 -3.625 2.794 -5.534 1.00 43.05 C ATOM 0 H ALA A 5 -5.748 3.769 -3.862 1.00 32.43 H new ATOM 0 HA ALA A 5 -3.961 4.871 -5.925 1.00 71.11 H new ATOM 0 HB1 ALA A 5 -3.303 2.569 -6.551 1.00 43.05 H new ATOM 0 HB2 ALA A 5 -2.752 2.991 -4.912 1.00 43.05 H new ATOM 0 HB3 ALA A 5 -4.173 1.943 -5.131 1.00 43.05 H new ATOM 52 N SER A 6 -6.774 4.575 -6.273 1.00 3.23 N ATOM 53 CA SER A 6 -7.977 4.457 -7.088 1.00 24.11 C ATOM 54 C SER A 6 -8.195 5.716 -7.921 1.00 43.05 C ATOM 55 O SER A 6 -7.512 6.723 -7.736 1.00 25.25 O ATOM 56 CB SER A 6 -9.196 4.200 -6.201 1.00 71.34 C ATOM 57 OG SER A 6 -9.207 5.075 -5.086 1.00 75.35 O ATOM 0 H SER A 6 -6.821 5.296 -5.553 1.00 3.23 H new ATOM 0 HA SER A 6 -7.846 3.613 -7.766 1.00 24.11 H new ATOM 0 HB2 SER A 6 -10.108 4.335 -6.782 1.00 71.34 H new ATOM 0 HB3 SER A 6 -9.188 3.166 -5.856 1.00 71.34 H new ATOM 0 HG SER A 6 -9.997 4.893 -4.535 1.00 75.35 H new ATOM 63 N VAL A 7 -9.153 5.651 -8.840 1.00 64.34 N ATOM 64 CA VAL A 7 -9.463 6.786 -9.702 1.00 41.24 C ATOM 65 C VAL A 7 -10.624 7.600 -9.142 1.00 32.21 C ATOM 66 O VAL A 7 -10.437 8.715 -8.655 1.00 54.41 O ATOM 67 CB VAL A 7 -9.814 6.326 -11.130 1.00 43.35 C ATOM 68 CG1 VAL A 7 -10.142 7.523 -12.011 1.00 12.32 C ATOM 69 CG2 VAL A 7 -8.673 5.515 -11.723 1.00 21.24 C ATOM 0 H VAL A 7 -9.728 4.825 -9.007 1.00 64.34 H new ATOM 0 HA VAL A 7 -8.570 7.410 -9.738 1.00 41.24 H new ATOM 0 HB VAL A 7 -10.696 5.688 -11.081 1.00 43.35 H new ATOM 0 HG11 VAL A 7 -10.387 7.179 -13.016 1.00 12.32 H new ATOM 0 HG12 VAL A 7 -10.994 8.060 -11.593 1.00 12.32 H new ATOM 0 HG13 VAL A 7 -9.280 8.189 -12.056 1.00 12.32 H new ATOM 0 HG21 VAL A 7 -8.938 5.198 -12.732 1.00 21.24 H new ATOM 0 HG22 VAL A 7 -7.772 6.127 -11.760 1.00 21.24 H new ATOM 0 HG23 VAL A 7 -8.490 4.637 -11.103 1.00 21.24 H new ATOM 79 N LEU A 8 -11.825 7.035 -9.215 1.00 43.03 N ATOM 80 CA LEU A 8 -13.019 7.708 -8.714 1.00 64.31 C ATOM 81 C LEU A 8 -13.438 7.140 -7.362 1.00 4.04 C ATOM 82 O LEU A 8 -13.327 5.937 -7.122 1.00 54.14 O ATOM 83 CB LEU A 8 -14.165 7.567 -9.717 1.00 61.24 C ATOM 84 CG LEU A 8 -14.048 8.403 -10.993 1.00 34.40 C ATOM 85 CD1 LEU A 8 -15.090 7.970 -12.012 1.00 31.54 C ATOM 86 CD2 LEU A 8 -14.194 9.884 -10.675 1.00 12.10 C ATOM 0 H LEU A 8 -11.998 6.113 -9.616 1.00 43.03 H new ATOM 0 HA LEU A 8 -12.784 8.765 -8.585 1.00 64.31 H new ATOM 0 HB2 LEU A 8 -14.246 6.518 -10.000 1.00 61.24 H new ATOM 0 HB3 LEU A 8 -15.095 7.834 -9.215 1.00 61.24 H new ATOM 0 HG LEU A 8 -13.060 8.239 -11.423 1.00 34.40 H new ATOM 0 HD11 LEU A 8 -14.992 8.576 -12.913 1.00 31.54 H new ATOM 0 HD12 LEU A 8 -14.940 6.920 -12.262 1.00 31.54 H new ATOM 0 HD13 LEU A 8 -16.087 8.104 -11.592 1.00 31.54 H new ATOM 0 HD21 LEU A 8 -14.108 10.464 -11.594 1.00 12.10 H new ATOM 0 HD22 LEU A 8 -15.169 10.064 -10.222 1.00 12.10 H new ATOM 0 HD23 LEU A 8 -13.410 10.186 -9.981 1.00 12.10 H new ATOM 98 N SER A 9 -13.920 8.013 -6.483 1.00 24.32 N ATOM 99 CA SER A 9 -14.354 7.598 -5.154 1.00 61.31 C ATOM 100 C SER A 9 -15.768 7.028 -5.198 1.00 34.51 C ATOM 101 O SER A 9 -16.343 6.846 -6.270 1.00 32.33 O ATOM 102 CB SER A 9 -14.298 8.781 -4.185 1.00 31.44 C ATOM 103 OG SER A 9 -15.546 9.449 -4.124 1.00 12.23 O ATOM 0 H SER A 9 -14.020 9.011 -6.667 1.00 24.32 H new ATOM 0 HA SER A 9 -13.678 6.818 -4.804 1.00 61.31 H new ATOM 0 HB2 SER A 9 -14.022 8.429 -3.191 1.00 31.44 H new ATOM 0 HB3 SER A 9 -13.523 9.479 -4.503 1.00 31.44 H new ATOM 0 HG SER A 9 -15.485 10.200 -3.497 1.00 12.23 H new ATOM 109 N GLY A 10 -16.323 6.747 -4.023 1.00 74.13 N ATOM 110 CA GLY A 10 -17.666 6.200 -3.948 1.00 40.24 C ATOM 111 C GLY A 10 -18.701 7.117 -4.570 1.00 13.32 C ATOM 112 O GLY A 10 -19.505 6.687 -5.395 1.00 12.51 O ATOM 0 H GLY A 10 -15.867 6.888 -3.122 1.00 74.13 H new ATOM 0 HA2 GLY A 10 -17.690 5.234 -4.453 1.00 40.24 H new ATOM 0 HA3 GLY A 10 -17.924 6.021 -2.904 1.00 40.24 H new ATOM 116 N GLY A 11 -18.681 8.385 -4.171 1.00 74.33 N ATOM 117 CA GLY A 11 -19.631 9.345 -4.703 1.00 61.53 C ATOM 118 C GLY A 11 -19.416 9.617 -6.178 1.00 4.21 C ATOM 119 O GLY A 11 -20.374 9.774 -6.933 1.00 64.24 O ATOM 0 H GLY A 11 -18.024 8.765 -3.489 1.00 74.33 H new ATOM 0 HA2 GLY A 11 -20.644 8.973 -4.549 1.00 61.53 H new ATOM 0 HA3 GLY A 11 -19.547 10.280 -4.148 1.00 61.53 H new ATOM 123 N GLU A 12 -18.153 9.675 -6.589 1.00 24.25 N ATOM 124 CA GLU A 12 -17.814 9.934 -7.984 1.00 35.42 C ATOM 125 C GLU A 12 -18.182 8.741 -8.863 1.00 21.43 C ATOM 126 O GLU A 12 -18.567 8.904 -10.022 1.00 73.15 O ATOM 127 CB GLU A 12 -16.322 10.241 -8.122 1.00 42.11 C ATOM 128 CG GLU A 12 -15.802 11.212 -7.075 1.00 45.52 C ATOM 129 CD GLU A 12 -14.350 11.588 -7.299 1.00 3.13 C ATOM 130 OE1 GLU A 12 -13.467 10.889 -6.759 1.00 21.22 O ATOM 131 OE2 GLU A 12 -14.096 12.581 -8.012 1.00 70.20 O1- ATOM 0 H GLU A 12 -17.348 9.546 -5.976 1.00 24.25 H new ATOM 0 HA GLU A 12 -18.387 10.800 -8.316 1.00 35.42 H new ATOM 0 HB2 GLU A 12 -15.760 9.310 -8.053 1.00 42.11 H new ATOM 0 HB3 GLU A 12 -16.135 10.654 -9.113 1.00 42.11 H new ATOM 0 HG2 GLU A 12 -16.413 12.114 -7.086 1.00 45.52 H new ATOM 0 HG3 GLU A 12 -15.910 10.766 -6.086 1.00 45.52 H new ATOM 138 N LEU A 13 -18.060 7.542 -8.304 1.00 50.03 N ATOM 139 CA LEU A 13 -18.379 6.321 -9.036 1.00 13.53 C ATOM 140 C LEU A 13 -19.839 6.316 -9.477 1.00 73.02 C ATOM 141 O LEU A 13 -20.154 5.953 -10.611 1.00 3.24 O ATOM 142 CB LEU A 13 -18.093 5.094 -8.168 1.00 11.23 C ATOM 143 CG LEU A 13 -18.087 3.747 -8.891 1.00 72.43 C ATOM 144 CD1 LEU A 13 -16.923 3.669 -9.866 1.00 22.12 C ATOM 145 CD2 LEU A 13 -18.024 2.603 -7.889 1.00 43.24 C ATOM 0 H LEU A 13 -17.743 7.389 -7.347 1.00 50.03 H new ATOM 0 HA LEU A 13 -17.750 6.285 -9.925 1.00 13.53 H new ATOM 0 HB2 LEU A 13 -17.124 5.231 -7.689 1.00 11.23 H new ATOM 0 HB3 LEU A 13 -18.838 5.054 -7.374 1.00 11.23 H new ATOM 0 HG LEU A 13 -19.014 3.657 -9.457 1.00 72.43 H new ATOM 0 HD11 LEU A 13 -16.935 2.703 -10.371 1.00 22.12 H new ATOM 0 HD12 LEU A 13 -17.013 4.466 -10.604 1.00 22.12 H new ATOM 0 HD13 LEU A 13 -15.985 3.782 -9.323 1.00 22.12 H new ATOM 0 HD21 LEU A 13 -18.021 1.652 -8.422 1.00 43.24 H new ATOM 0 HD22 LEU A 13 -17.114 2.689 -7.295 1.00 43.24 H new ATOM 0 HD23 LEU A 13 -18.892 2.647 -7.231 1.00 43.24 H new ATOM 157 N ASP A 14 -20.726 6.723 -8.576 1.00 21.11 N ATOM 158 CA ASP A 14 -22.153 6.768 -8.873 1.00 45.15 C ATOM 159 C ASP A 14 -22.431 7.688 -10.059 1.00 73.10 C ATOM 160 O ASP A 14 -22.983 7.261 -11.073 1.00 41.23 O ATOM 161 CB ASP A 14 -22.935 7.244 -7.648 1.00 33.51 C ATOM 162 CG ASP A 14 -23.879 6.182 -7.117 1.00 50.45 C ATOM 163 OD1 ASP A 14 -24.991 6.046 -7.670 1.00 54.24 O ATOM 164 OD2 ASP A 14 -23.505 5.488 -6.150 1.00 3.34 O1- ATOM 0 H ASP A 14 -20.482 7.027 -7.633 1.00 21.11 H new ATOM 0 HA ASP A 14 -22.478 5.761 -9.133 1.00 45.15 H new ATOM 0 HB2 ASP A 14 -22.236 7.530 -6.862 1.00 33.51 H new ATOM 0 HB3 ASP A 14 -23.505 8.136 -7.908 1.00 33.51 H new ATOM 169 N LYS A 15 -22.046 8.952 -9.923 1.00 51.05 N ATOM 170 CA LYS A 15 -22.255 9.933 -10.981 1.00 44.52 C ATOM 171 C LYS A 15 -21.550 9.505 -12.266 1.00 52.24 C ATOM 172 O LYS A 15 -22.090 9.661 -13.361 1.00 4.22 O ATOM 173 CB LYS A 15 -21.742 11.306 -10.540 1.00 75.55 C ATOM 174 CG LYS A 15 -22.489 11.879 -9.348 1.00 4.13 C ATOM 175 CD LYS A 15 -23.954 12.122 -9.671 1.00 4.30 C ATOM 176 CE LYS A 15 -24.537 13.236 -8.815 1.00 45.13 C ATOM 177 NZ LYS A 15 -25.412 14.144 -9.607 1.00 34.44 N1+ ATOM 0 H LYS A 15 -21.587 9.321 -9.090 1.00 51.05 H new ATOM 0 HA LYS A 15 -23.325 9.997 -11.177 1.00 44.52 H new ATOM 0 HB2 LYS A 15 -20.684 11.227 -10.291 1.00 75.55 H new ATOM 0 HB3 LYS A 15 -21.822 12.000 -11.376 1.00 75.55 H new ATOM 0 HG2 LYS A 15 -22.411 11.193 -8.505 1.00 4.13 H new ATOM 0 HG3 LYS A 15 -22.023 12.816 -9.042 1.00 4.13 H new ATOM 0 HD2 LYS A 15 -24.057 12.380 -10.725 1.00 4.30 H new ATOM 0 HD3 LYS A 15 -24.520 11.204 -9.510 1.00 4.30 H new ATOM 0 HE2 LYS A 15 -25.111 12.802 -7.996 1.00 45.13 H new ATOM 0 HE3 LYS A 15 -23.727 13.812 -8.367 1.00 45.13 H new ATOM 0 HZ1 LYS A 15 -25.790 14.889 -8.988 1.00 34.44 H new ATOM 0 HZ2 LYS A 15 -24.859 14.578 -10.373 1.00 34.44 H new ATOM 0 HZ3 LYS A 15 -26.199 13.600 -10.014 1.00 34.44 H new ATOM 191 N TRP A 16 -20.346 8.966 -12.122 1.00 23.35 N ATOM 192 CA TRP A 16 -19.569 8.514 -13.271 1.00 1.34 C ATOM 193 C TRP A 16 -20.392 7.579 -14.150 1.00 2.01 C ATOM 194 O TRP A 16 -20.424 7.730 -15.371 1.00 51.34 O ATOM 195 CB TRP A 16 -18.295 7.807 -12.805 1.00 44.24 C ATOM 196 CG TRP A 16 -17.528 7.168 -13.924 1.00 11.00 C ATOM 197 CD1 TRP A 16 -17.521 5.844 -14.260 1.00 40.42 C ATOM 198 CD2 TRP A 16 -16.656 7.824 -14.850 1.00 0.11 C ATOM 199 NE1 TRP A 16 -16.697 5.638 -15.340 1.00 43.33 N ATOM 200 CE2 TRP A 16 -16.154 6.838 -15.721 1.00 31.55 C ATOM 201 CE3 TRP A 16 -16.251 9.150 -15.029 1.00 21.44 C ATOM 202 CZ2 TRP A 16 -15.269 7.136 -16.753 1.00 63.22 C ATOM 203 CZ3 TRP A 16 -15.372 9.444 -16.055 1.00 54.01 C ATOM 204 CH2 TRP A 16 -14.890 8.442 -16.906 1.00 30.34 C ATOM 0 H TRP A 16 -19.886 8.831 -11.222 1.00 23.35 H new ATOM 0 HA TRP A 16 -19.295 9.389 -13.860 1.00 1.34 H new ATOM 0 HB2 TRP A 16 -17.653 8.527 -12.298 1.00 44.24 H new ATOM 0 HB3 TRP A 16 -18.558 7.044 -12.072 1.00 44.24 H new ATOM 0 HD1 TRP A 16 -18.081 5.073 -13.752 1.00 40.42 H new ATOM 0 HE1 TRP A 16 -16.518 4.738 -15.786 1.00 43.33 H new ATOM 0 HE3 TRP A 16 -16.618 9.930 -14.378 1.00 21.44 H new ATOM 0 HZ2 TRP A 16 -14.895 6.364 -17.409 1.00 63.22 H new ATOM 0 HZ3 TRP A 16 -15.051 10.465 -16.203 1.00 54.01 H new ATOM 0 HH2 TRP A 16 -14.206 8.705 -17.699 1.00 30.34 H new ATOM 215 N GLU A 17 -21.055 6.613 -13.522 1.00 1.30 N ATOM 216 CA GLU A 17 -21.877 5.654 -14.250 1.00 12.53 C ATOM 217 C GLU A 17 -23.045 6.352 -14.940 1.00 41.22 C ATOM 218 O GLU A 17 -23.563 5.871 -15.949 1.00 22.03 O ATOM 219 CB GLU A 17 -22.402 4.575 -13.300 1.00 75.12 C ATOM 220 CG GLU A 17 -21.390 3.482 -13.001 1.00 11.34 C ATOM 221 CD GLU A 17 -22.040 2.201 -12.517 1.00 61.43 C ATOM 222 OE1 GLU A 17 -22.500 1.412 -13.369 1.00 33.30 O ATOM 223 OE2 GLU A 17 -22.090 1.988 -11.288 1.00 22.21 O1- ATOM 0 H GLU A 17 -21.039 6.474 -12.512 1.00 1.30 H new ATOM 0 HA GLU A 17 -21.255 5.185 -15.013 1.00 12.53 H new ATOM 0 HB2 GLU A 17 -22.705 5.044 -12.364 1.00 75.12 H new ATOM 0 HB3 GLU A 17 -23.294 4.124 -13.734 1.00 75.12 H new ATOM 0 HG2 GLU A 17 -20.810 3.273 -13.900 1.00 11.34 H new ATOM 0 HG3 GLU A 17 -20.690 3.838 -12.245 1.00 11.34 H new ATOM 230 N LYS A 18 -23.457 7.489 -14.389 1.00 45.21 N ATOM 231 CA LYS A 18 -24.563 8.255 -14.950 1.00 62.31 C ATOM 232 C LYS A 18 -24.113 9.042 -16.177 1.00 13.03 C ATOM 233 O LYS A 18 -24.805 9.072 -17.195 1.00 52.50 O ATOM 234 CB LYS A 18 -25.133 9.210 -13.900 1.00 72.02 C ATOM 235 CG LYS A 18 -26.651 9.204 -13.832 1.00 10.44 C ATOM 236 CD LYS A 18 -27.196 10.555 -13.402 1.00 54.41 C ATOM 237 CE LYS A 18 -27.278 11.522 -14.573 1.00 24.03 C ATOM 238 NZ LYS A 18 -28.610 11.478 -15.237 1.00 13.13 N1+ ATOM 0 H LYS A 18 -23.041 7.900 -13.554 1.00 45.21 H new ATOM 0 HA LYS A 18 -25.340 7.554 -15.255 1.00 62.31 H new ATOM 0 HB2 LYS A 18 -24.733 8.942 -12.922 1.00 72.02 H new ATOM 0 HB3 LYS A 18 -24.791 10.222 -14.118 1.00 72.02 H new ATOM 0 HG2 LYS A 18 -27.059 8.940 -14.808 1.00 10.44 H new ATOM 0 HG3 LYS A 18 -26.982 8.438 -13.131 1.00 10.44 H new ATOM 0 HD2 LYS A 18 -28.186 10.427 -12.965 1.00 54.41 H new ATOM 0 HD3 LYS A 18 -26.557 10.976 -12.626 1.00 54.41 H new ATOM 0 HE2 LYS A 18 -27.081 12.535 -14.222 1.00 24.03 H new ATOM 0 HE3 LYS A 18 -26.502 11.279 -15.299 1.00 24.03 H new ATOM 0 HZ1 LYS A 18 -28.625 12.151 -16.030 1.00 13.13 H new ATOM 0 HZ2 LYS A 18 -28.788 10.518 -15.595 1.00 13.13 H new ATOM 0 HZ3 LYS A 18 -29.348 11.734 -14.551 1.00 13.13 H new ATOM 252 N ILE A 19 -22.950 9.676 -16.073 1.00 3.00 N ATOM 253 CA ILE A 19 -22.407 10.460 -17.176 1.00 11.01 C ATOM 254 C ILE A 19 -22.377 9.648 -18.466 1.00 1.42 C ATOM 255 O ILE A 19 -21.962 8.489 -18.472 1.00 50.01 O ATOM 256 CB ILE A 19 -20.984 10.960 -16.864 1.00 11.41 C ATOM 257 CG1 ILE A 19 -20.986 11.809 -15.591 1.00 12.12 C ATOM 258 CG2 ILE A 19 -20.433 11.756 -18.037 1.00 52.11 C ATOM 259 CD1 ILE A 19 -19.616 11.969 -14.970 1.00 54.11 C ATOM 0 H ILE A 19 -22.366 9.662 -15.237 1.00 3.00 H new ATOM 0 HA ILE A 19 -23.065 11.319 -17.306 1.00 11.01 H new ATOM 0 HB ILE A 19 -20.339 10.097 -16.701 1.00 11.41 H new ATOM 0 HG12 ILE A 19 -21.389 12.795 -15.822 1.00 12.12 H new ATOM 0 HG13 ILE A 19 -21.656 11.354 -14.861 1.00 12.12 H new ATOM 0 HG21 ILE A 19 -19.427 12.102 -17.801 1.00 52.11 H new ATOM 0 HG22 ILE A 19 -20.400 11.122 -18.923 1.00 52.11 H new ATOM 0 HG23 ILE A 19 -21.077 12.615 -18.229 1.00 52.11 H new ATOM 0 HD11 ILE A 19 -19.693 12.582 -14.072 1.00 54.11 H new ATOM 0 HD12 ILE A 19 -19.219 10.989 -14.707 1.00 54.11 H new ATOM 0 HD13 ILE A 19 -18.948 12.452 -15.683 1.00 54.11 H new ATOM 271 N ARG A 20 -22.816 10.266 -19.557 1.00 24.23 N ATOM 272 CA ARG A 20 -22.839 9.600 -20.855 1.00 30.41 C ATOM 273 C ARG A 20 -21.576 9.916 -21.650 1.00 11.34 C ATOM 274 O ARG A 20 -20.894 10.907 -21.385 1.00 24.34 O ATOM 275 CB ARG A 20 -24.074 10.027 -21.649 1.00 62.14 C ATOM 276 CG ARG A 20 -25.366 9.955 -20.852 1.00 75.12 C ATOM 277 CD ARG A 20 -26.557 9.643 -21.746 1.00 3.42 C ATOM 278 NE ARG A 20 -27.820 9.696 -21.015 1.00 2.23 N ATOM 279 CZ ARG A 20 -28.988 9.344 -21.539 1.00 2.12 C ATOM 280 NH1 ARG A 20 -29.053 8.915 -22.792 1.00 33.42 N1+ ATOM 281 NH2 ARG A 20 -30.094 9.420 -20.810 1.00 2.35 N ATOM 0 H ARG A 20 -23.160 11.226 -19.569 1.00 24.23 H new ATOM 0 HA ARG A 20 -22.880 8.524 -20.683 1.00 30.41 H new ATOM 0 HB2 ARG A 20 -23.932 11.048 -22.004 1.00 62.14 H new ATOM 0 HB3 ARG A 20 -24.165 9.393 -22.531 1.00 62.14 H new ATOM 0 HG2 ARG A 20 -25.277 9.189 -20.082 1.00 75.12 H new ATOM 0 HG3 ARG A 20 -25.532 10.903 -20.341 1.00 75.12 H new ATOM 0 HD2 ARG A 20 -26.586 10.354 -22.572 1.00 3.42 H new ATOM 0 HD3 ARG A 20 -26.432 8.652 -22.183 1.00 3.42 H new ATOM 0 HE ARG A 20 -27.804 10.021 -20.048 1.00 2.23 H new ATOM 0 HH11 ARG A 20 -28.205 8.855 -23.355 1.00 33.42 H new ATOM 0 HH12 ARG A 20 -29.951 8.645 -23.193 1.00 33.42 H new ATOM 0 HH21 ARG A 20 -30.048 9.749 -19.846 1.00 2.35 H new ATOM 0 HH22 ARG A 20 -30.991 9.149 -21.214 1.00 2.35 H new ATOM 295 N LEU A 21 -21.269 9.066 -22.624 1.00 44.40 N ATOM 296 CA LEU A 21 -20.087 9.254 -23.458 1.00 22.23 C ATOM 297 C LEU A 21 -20.317 10.354 -24.489 1.00 4.32 C ATOM 298 O LEU A 21 -19.424 11.158 -24.762 1.00 23.34 O ATOM 299 CB LEU A 21 -19.724 7.946 -24.164 1.00 22.44 C ATOM 300 CG LEU A 21 -19.888 6.669 -23.339 1.00 75.11 C ATOM 301 CD1 LEU A 21 -19.582 5.443 -24.184 1.00 0.41 C ATOM 302 CD2 LEU A 21 -18.990 6.709 -22.110 1.00 40.42 C ATOM 0 H LEU A 21 -21.822 8.241 -22.855 1.00 44.40 H new ATOM 0 HA LEU A 21 -19.261 9.553 -22.813 1.00 22.23 H new ATOM 0 HB2 LEU A 21 -20.339 7.857 -25.060 1.00 22.44 H new ATOM 0 HB3 LEU A 21 -18.687 8.010 -24.494 1.00 22.44 H new ATOM 0 HG LEU A 21 -20.924 6.606 -23.007 1.00 75.11 H new ATOM 0 HD11 LEU A 21 -19.704 4.544 -23.579 1.00 0.41 H new ATOM 0 HD12 LEU A 21 -20.266 5.406 -25.032 1.00 0.41 H new ATOM 0 HD13 LEU A 21 -18.556 5.499 -24.548 1.00 0.41 H new ATOM 0 HD21 LEU A 21 -19.120 5.792 -21.535 1.00 40.42 H new ATOM 0 HD22 LEU A 21 -17.949 6.797 -22.422 1.00 40.42 H new ATOM 0 HD23 LEU A 21 -19.257 7.566 -21.492 1.00 40.42 H new ATOM 314 N ARG A 22 -21.518 10.386 -25.055 1.00 4.33 N ATOM 315 CA ARG A 22 -21.865 11.389 -26.055 1.00 41.21 C ATOM 316 C ARG A 22 -23.111 12.164 -25.637 1.00 41.32 C ATOM 317 O ARG A 22 -23.903 11.716 -24.807 1.00 4.23 O ATOM 318 CB ARG A 22 -22.095 10.727 -27.414 1.00 21.30 C ATOM 319 CG ARG A 22 -20.884 10.777 -28.329 1.00 45.21 C ATOM 320 CD ARG A 22 -20.213 9.417 -28.442 1.00 42.35 C ATOM 321 NE ARG A 22 -20.950 8.515 -29.322 1.00 34.10 N ATOM 322 CZ ARG A 22 -20.570 7.269 -29.582 1.00 25.33 C ATOM 323 NH1 ARG A 22 -19.465 6.780 -29.033 1.00 75.44 N1+ ATOM 324 NH2 ARG A 22 -21.293 6.509 -30.394 1.00 74.31 N ATOM 0 H ARG A 22 -22.268 9.729 -24.839 1.00 4.33 H new ATOM 0 HA ARG A 22 -21.033 12.088 -26.136 1.00 41.21 H new ATOM 0 HB2 ARG A 22 -22.379 9.686 -27.258 1.00 21.30 H new ATOM 0 HB3 ARG A 22 -22.934 11.216 -27.909 1.00 21.30 H new ATOM 0 HG2 ARG A 22 -21.189 11.117 -29.319 1.00 45.21 H new ATOM 0 HG3 ARG A 22 -20.169 11.506 -27.948 1.00 45.21 H new ATOM 0 HD2 ARG A 22 -19.198 9.544 -28.820 1.00 42.35 H new ATOM 0 HD3 ARG A 22 -20.131 8.970 -27.451 1.00 42.35 H new ATOM 0 HE ARG A 22 -21.803 8.860 -29.761 1.00 34.10 H new ATOM 0 HH11 ARG A 22 -18.905 7.361 -28.409 1.00 75.44 H new ATOM 0 HH12 ARG A 22 -19.176 5.823 -29.235 1.00 75.44 H new ATOM 0 HH21 ARG A 22 -22.142 6.881 -30.820 1.00 74.31 H new ATOM 0 HH22 ARG A 22 -21.000 5.552 -30.593 1.00 74.31 H new ATOM 338 N PRO A 23 -23.291 13.357 -26.225 1.00 11.13 N ATOM 339 CA PRO A 23 -24.439 14.219 -25.929 1.00 42.43 C ATOM 340 C PRO A 23 -25.747 13.648 -26.464 1.00 44.23 C ATOM 341 O PRO A 23 -26.767 13.658 -25.778 1.00 70.31 O ATOM 342 CB PRO A 23 -24.093 15.527 -26.646 1.00 74.32 C ATOM 343 CG PRO A 23 -23.174 15.124 -27.746 1.00 21.11 C ATOM 344 CD PRO A 23 -22.389 13.954 -27.223 1.00 21.35 C ATOM 0 HA PRO A 23 -24.598 14.333 -24.857 1.00 42.43 H new ATOM 0 HB2 PRO A 23 -24.987 16.014 -27.035 1.00 74.32 H new ATOM 0 HB3 PRO A 23 -23.614 16.235 -25.969 1.00 74.32 H new ATOM 0 HG2 PRO A 23 -23.733 14.850 -28.641 1.00 21.11 H new ATOM 0 HG3 PRO A 23 -22.513 15.945 -28.022 1.00 21.11 H new ATOM 0 HD2 PRO A 23 -22.144 13.248 -28.016 1.00 21.35 H new ATOM 0 HD3 PRO A 23 -21.447 14.270 -26.775 1.00 21.35 H new ATOM 352 N GLY A 24 -25.709 13.150 -27.697 1.00 32.43 N ATOM 353 CA GLY A 24 -26.898 12.581 -28.303 1.00 23.11 C ATOM 354 C GLY A 24 -26.786 11.082 -28.504 1.00 0.00 C ATOM 355 O GLY A 24 -26.911 10.588 -29.624 1.00 62.23 O ATOM 0 H GLY A 24 -24.876 13.131 -28.286 1.00 32.43 H new ATOM 0 HA2 GLY A 24 -27.761 12.797 -27.674 1.00 23.11 H new ATOM 0 HA3 GLY A 24 -27.077 13.061 -29.265 1.00 23.11 H new ATOM 359 N GLY A 25 -26.548 10.357 -27.416 1.00 74.12 N ATOM 360 CA GLY A 25 -26.421 8.913 -27.499 1.00 70.43 C ATOM 361 C GLY A 25 -27.222 8.198 -26.430 1.00 11.14 C ATOM 362 O GLY A 25 -27.970 8.825 -25.680 1.00 54.33 O ATOM 0 H GLY A 25 -26.441 10.743 -26.478 1.00 74.12 H new ATOM 0 HA2 GLY A 25 -26.753 8.578 -28.482 1.00 70.43 H new ATOM 0 HA3 GLY A 25 -25.370 8.638 -27.406 1.00 70.43 H new ATOM 366 N LYS A 26 -27.068 6.881 -26.359 1.00 24.04 N ATOM 367 CA LYS A 26 -27.782 6.077 -25.374 1.00 72.34 C ATOM 368 C LYS A 26 -26.818 5.192 -24.591 1.00 52.53 C ATOM 369 O LYS A 26 -27.194 4.126 -24.103 1.00 13.33 O ATOM 370 CB LYS A 26 -28.840 5.211 -26.062 1.00 54.14 C ATOM 371 CG LYS A 26 -30.001 6.008 -26.631 1.00 63.05 C ATOM 372 CD LYS A 26 -29.956 6.054 -28.150 1.00 34.05 C ATOM 373 CE LYS A 26 -30.381 4.727 -28.760 1.00 14.25 C ATOM 374 NZ LYS A 26 -31.821 4.439 -28.514 1.00 13.42 N1+ ATOM 0 H LYS A 26 -26.454 6.346 -26.973 1.00 24.04 H new ATOM 0 HA LYS A 26 -28.273 6.755 -24.676 1.00 72.34 H new ATOM 0 HB2 LYS A 26 -28.369 4.647 -26.867 1.00 54.14 H new ATOM 0 HB3 LYS A 26 -29.225 4.485 -25.346 1.00 54.14 H new ATOM 0 HG2 LYS A 26 -30.942 5.563 -26.307 1.00 63.05 H new ATOM 0 HG3 LYS A 26 -29.975 7.023 -26.235 1.00 63.05 H new ATOM 0 HD2 LYS A 26 -30.610 6.848 -28.511 1.00 34.05 H new ATOM 0 HD3 LYS A 26 -28.946 6.300 -28.478 1.00 34.05 H new ATOM 0 HE2 LYS A 26 -30.192 4.744 -29.833 1.00 14.25 H new ATOM 0 HE3 LYS A 26 -29.774 3.924 -28.342 1.00 14.25 H new ATOM 0 HZ1 LYS A 26 -32.152 3.722 -29.190 1.00 13.42 H new ATOM 0 HZ2 LYS A 26 -31.943 4.083 -27.544 1.00 13.42 H new ATOM 0 HZ3 LYS A 26 -32.375 5.311 -28.635 1.00 13.42 H new ATOM 388 N LYS A 27 -25.573 5.642 -24.472 1.00 73.23 N ATOM 389 CA LYS A 27 -24.555 4.893 -23.746 1.00 54.52 C ATOM 390 C LYS A 27 -24.095 5.659 -22.509 1.00 41.33 C ATOM 391 O LYS A 27 -24.123 6.889 -22.485 1.00 45.31 O ATOM 392 CB LYS A 27 -23.358 4.605 -24.655 1.00 12.34 C ATOM 393 CG LYS A 27 -23.453 3.275 -25.382 1.00 73.14 C ATOM 394 CD LYS A 27 -22.077 2.698 -25.670 1.00 21.31 C ATOM 395 CE LYS A 27 -21.530 3.200 -26.997 1.00 42.44 C ATOM 396 NZ LYS A 27 -20.315 2.447 -27.417 1.00 42.24 N1+ ATOM 0 H LYS A 27 -25.245 6.522 -24.869 1.00 73.23 H new ATOM 0 HA LYS A 27 -24.994 3.949 -23.425 1.00 54.52 H new ATOM 0 HB2 LYS A 27 -23.269 5.406 -25.389 1.00 12.34 H new ATOM 0 HB3 LYS A 27 -22.447 4.618 -24.057 1.00 12.34 H new ATOM 0 HG2 LYS A 27 -24.025 2.570 -24.779 1.00 73.14 H new ATOM 0 HG3 LYS A 27 -23.996 3.409 -26.318 1.00 73.14 H new ATOM 0 HD2 LYS A 27 -21.392 2.969 -24.867 1.00 21.31 H new ATOM 0 HD3 LYS A 27 -22.134 1.610 -25.687 1.00 21.31 H new ATOM 0 HE2 LYS A 27 -22.298 3.107 -27.765 1.00 42.44 H new ATOM 0 HE3 LYS A 27 -21.289 4.260 -26.913 1.00 42.44 H new ATOM 0 HZ1 LYS A 27 -19.973 2.819 -28.326 1.00 42.24 H new ATOM 0 HZ2 LYS A 27 -19.573 2.556 -26.697 1.00 42.24 H new ATOM 0 HZ3 LYS A 27 -20.550 1.439 -27.522 1.00 42.24 H new ATOM 410 N GLN A 28 -23.672 4.924 -21.486 1.00 4.52 N ATOM 411 CA GLN A 28 -23.204 5.536 -20.248 1.00 70.10 C ATOM 412 C GLN A 28 -21.740 5.196 -19.991 1.00 4.35 C ATOM 413 O GLN A 28 -21.155 4.359 -20.680 1.00 75.44 O ATOM 414 CB GLN A 28 -24.062 5.071 -19.070 1.00 11.51 C ATOM 415 CG GLN A 28 -25.554 5.101 -19.355 1.00 32.50 C ATOM 416 CD GLN A 28 -26.042 3.843 -20.047 1.00 63.12 C ATOM 417 OE1 GLN A 28 -25.546 2.746 -19.788 1.00 41.20 O ATOM 418 NE2 GLN A 28 -27.018 3.996 -20.935 1.00 33.14 N ATOM 0 H GLN A 28 -23.644 3.904 -21.490 1.00 4.52 H new ATOM 0 HA GLN A 28 -23.293 6.617 -20.350 1.00 70.10 H new ATOM 0 HB2 GLN A 28 -23.773 4.056 -18.799 1.00 11.51 H new ATOM 0 HB3 GLN A 28 -23.853 5.703 -18.207 1.00 11.51 H new ATOM 0 HG2 GLN A 28 -26.096 5.229 -18.418 1.00 32.50 H new ATOM 0 HG3 GLN A 28 -25.784 5.966 -19.977 1.00 32.50 H new ATOM 0 HE21 GLN A 28 -27.400 4.924 -21.118 1.00 33.14 H new ATOM 0 HE22 GLN A 28 -27.386 3.186 -21.433 1.00 33.14 H new ATOM 427 N TYR A 29 -21.152 5.850 -18.996 1.00 11.34 N ATOM 428 CA TYR A 29 -19.754 5.619 -18.650 1.00 53.32 C ATOM 429 C TYR A 29 -19.617 4.436 -17.698 1.00 32.34 C ATOM 430 O TYR A 29 -20.521 4.145 -16.913 1.00 65.15 O ATOM 431 CB TYR A 29 -19.151 6.872 -18.014 1.00 51.35 C ATOM 432 CG TYR A 29 -18.365 7.727 -18.984 1.00 32.23 C ATOM 433 CD1 TYR A 29 -17.084 7.363 -19.379 1.00 33.32 C ATOM 434 CD2 TYR A 29 -18.904 8.897 -19.503 1.00 0.22 C ATOM 435 CE1 TYR A 29 -16.362 8.139 -20.264 1.00 62.15 C ATOM 436 CE2 TYR A 29 -18.190 9.679 -20.390 1.00 31.40 C ATOM 437 CZ TYR A 29 -16.920 9.297 -20.767 1.00 3.21 C ATOM 438 OH TYR A 29 -16.205 10.074 -21.649 1.00 44.13 O ATOM 0 H TYR A 29 -21.621 6.544 -18.415 1.00 11.34 H new ATOM 0 HA TYR A 29 -19.212 5.388 -19.567 1.00 53.32 H new ATOM 0 HB2 TYR A 29 -19.952 7.471 -17.582 1.00 51.35 H new ATOM 0 HB3 TYR A 29 -18.498 6.574 -17.194 1.00 51.35 H new ATOM 0 HD1 TYR A 29 -16.645 6.457 -18.987 1.00 33.32 H new ATOM 0 HD2 TYR A 29 -19.898 9.200 -19.208 1.00 0.22 H new ATOM 0 HE1 TYR A 29 -15.367 7.842 -20.561 1.00 62.15 H new ATOM 0 HE2 TYR A 29 -18.624 10.585 -20.786 1.00 31.40 H new ATOM 0 HH TYR A 29 -16.803 10.726 -22.070 1.00 44.13 H new ATOM 448 N LYS A 30 -18.479 3.754 -17.772 1.00 54.53 N ATOM 449 CA LYS A 30 -18.219 2.602 -16.916 1.00 31.12 C ATOM 450 C LYS A 30 -16.729 2.468 -16.622 1.00 3.43 C ATOM 451 O LYS A 30 -15.899 3.127 -17.251 1.00 71.41 O ATOM 452 CB LYS A 30 -18.736 1.323 -17.578 1.00 60.12 C ATOM 453 CG LYS A 30 -19.879 0.666 -16.822 1.00 1.33 C ATOM 454 CD LYS A 30 -20.034 -0.796 -17.206 1.00 5.11 C ATOM 455 CE LYS A 30 -21.446 -1.295 -16.940 1.00 5.33 C ATOM 456 NZ LYS A 30 -21.446 -2.620 -16.259 1.00 53.31 N1+ ATOM 0 H LYS A 30 -17.721 3.979 -18.417 1.00 54.53 H new ATOM 0 HA LYS A 30 -18.745 2.755 -15.973 1.00 31.12 H new ATOM 0 HB2 LYS A 30 -19.067 1.556 -18.590 1.00 60.12 H new ATOM 0 HB3 LYS A 30 -17.914 0.612 -17.667 1.00 60.12 H new ATOM 0 HG2 LYS A 30 -19.700 0.744 -15.750 1.00 1.33 H new ATOM 0 HG3 LYS A 30 -20.807 1.198 -17.030 1.00 1.33 H new ATOM 0 HD2 LYS A 30 -19.795 -0.923 -18.262 1.00 5.11 H new ATOM 0 HD3 LYS A 30 -19.322 -1.399 -16.643 1.00 5.11 H new ATOM 0 HE2 LYS A 30 -21.978 -0.570 -16.324 1.00 5.33 H new ATOM 0 HE3 LYS A 30 -21.988 -1.371 -17.883 1.00 5.33 H new ATOM 0 HZ1 LYS A 30 -22.426 -2.926 -16.095 1.00 53.31 H new ATOM 0 HZ2 LYS A 30 -20.961 -3.318 -16.858 1.00 53.31 H new ATOM 0 HZ3 LYS A 30 -20.951 -2.542 -15.348 1.00 53.31 H new ATOM 470 N LEU A 31 -16.394 1.611 -15.663 1.00 4.10 N ATOM 471 CA LEU A 31 -15.002 1.389 -15.287 1.00 52.51 C ATOM 472 C LEU A 31 -14.161 1.018 -16.504 1.00 73.10 C ATOM 473 O LEU A 31 -12.959 1.276 -16.544 1.00 10.45 O ATOM 474 CB LEU A 31 -14.909 0.285 -14.233 1.00 54.30 C ATOM 475 CG LEU A 31 -14.139 0.637 -12.958 1.00 25.24 C ATOM 476 CD1 LEU A 31 -14.953 1.581 -12.087 1.00 42.31 C ATOM 477 CD2 LEU A 31 -13.777 -0.624 -12.189 1.00 35.33 C ATOM 0 H LEU A 31 -17.067 1.059 -15.132 1.00 4.10 H new ATOM 0 HA LEU A 31 -14.612 2.317 -14.869 1.00 52.51 H new ATOM 0 HB2 LEU A 31 -15.921 -0.009 -13.953 1.00 54.30 H new ATOM 0 HB3 LEU A 31 -14.439 -0.586 -14.689 1.00 54.30 H new ATOM 0 HG LEU A 31 -13.216 1.143 -13.241 1.00 25.24 H new ATOM 0 HD11 LEU A 31 -14.390 1.820 -11.185 1.00 42.31 H new ATOM 0 HD12 LEU A 31 -15.161 2.498 -12.639 1.00 42.31 H new ATOM 0 HD13 LEU A 31 -15.893 1.103 -11.812 1.00 42.31 H new ATOM 0 HD21 LEU A 31 -13.230 -0.355 -11.285 1.00 35.33 H new ATOM 0 HD22 LEU A 31 -14.687 -1.158 -11.916 1.00 35.33 H new ATOM 0 HD23 LEU A 31 -13.154 -1.264 -12.813 1.00 35.33 H new ATOM 489 N LYS A 32 -14.803 0.412 -17.498 1.00 34.01 N ATOM 490 CA LYS A 32 -14.116 0.007 -18.718 1.00 45.05 C ATOM 491 C LYS A 32 -13.336 1.174 -19.316 1.00 1.11 C ATOM 492 O LYS A 32 -12.279 0.984 -19.918 1.00 3.12 O ATOM 493 CB LYS A 32 -15.123 -0.524 -19.742 1.00 4.43 C ATOM 494 CG LYS A 32 -14.495 -1.397 -20.815 1.00 14.23 C ATOM 495 CD LYS A 32 -15.503 -2.370 -21.403 1.00 43.51 C ATOM 496 CE LYS A 32 -16.161 -1.804 -22.652 1.00 14.42 C ATOM 497 NZ LYS A 32 -15.524 -2.319 -23.896 1.00 51.54 N1+ ATOM 0 H LYS A 32 -15.799 0.191 -17.482 1.00 34.01 H new ATOM 0 HA LYS A 32 -13.412 -0.786 -18.463 1.00 45.05 H new ATOM 0 HB2 LYS A 32 -15.890 -1.097 -19.221 1.00 4.43 H new ATOM 0 HB3 LYS A 32 -15.624 0.319 -20.218 1.00 4.43 H new ATOM 0 HG2 LYS A 32 -14.091 -0.767 -21.608 1.00 14.23 H new ATOM 0 HG3 LYS A 32 -13.658 -1.951 -20.391 1.00 14.23 H new ATOM 0 HD2 LYS A 32 -15.005 -3.309 -21.646 1.00 43.51 H new ATOM 0 HD3 LYS A 32 -16.267 -2.598 -20.660 1.00 43.51 H new ATOM 0 HE2 LYS A 32 -17.220 -2.061 -22.653 1.00 14.42 H new ATOM 0 HE3 LYS A 32 -16.097 -0.716 -22.635 1.00 14.42 H new ATOM 0 HZ1 LYS A 32 -16.001 -1.910 -24.725 1.00 51.54 H new ATOM 0 HZ2 LYS A 32 -14.519 -2.052 -23.908 1.00 51.54 H new ATOM 0 HZ3 LYS A 32 -15.607 -3.355 -23.925 1.00 51.54 H new ATOM 511 N HIS A 33 -13.863 2.382 -19.145 1.00 74.11 N ATOM 512 CA HIS A 33 -13.215 3.581 -19.664 1.00 65.25 C ATOM 513 C HIS A 33 -12.142 4.079 -18.702 1.00 10.24 C ATOM 514 O HIS A 33 -11.122 4.562 -19.193 1.00 44.45 O ATOM 515 CB HIS A 33 -14.249 4.682 -19.907 1.00 14.51 C ATOM 516 CG HIS A 33 -15.463 4.212 -20.647 1.00 32.54 C ATOM 517 ND1 HIS A 33 -16.729 4.220 -20.100 1.00 12.33 N ATOM 518 CD2 HIS A 33 -15.601 3.716 -21.899 1.00 2.11 C ATOM 519 CE1 HIS A 33 -17.591 3.750 -20.982 1.00 65.44 C ATOM 520 NE2 HIS A 33 -16.931 3.437 -22.084 1.00 52.34 N ATOM 0 H HIS A 33 -14.738 2.557 -18.651 1.00 74.11 H new ATOM 0 HA HIS A 33 -12.739 3.325 -20.610 1.00 65.25 H new ATOM 0 HB2 HIS A 33 -14.557 5.098 -18.948 1.00 14.51 H new ATOM 0 HB3 HIS A 33 -13.781 5.490 -20.469 1.00 14.51 H new ATOM 0 HD2 HIS A 33 -14.810 3.567 -22.619 1.00 2.11 H new ATOM 0 HE1 HIS A 33 -18.654 3.640 -20.830 1.00 65.44 H new ATOM 0 HE2 HIS A 33 -17.344 3.051 -22.933 1.00 52.34 H new ATOM 528 N ILE A 34 -12.335 3.977 -17.391 1.00 41.00 N ATOM 529 CA ILE A 34 -11.337 4.437 -16.433 1.00 64.23 C ATOM 530 C ILE A 34 -10.093 3.557 -16.470 1.00 65.20 C ATOM 531 O ILE A 34 -8.970 4.045 -16.340 1.00 14.30 O ATOM 532 CB ILE A 34 -11.899 4.453 -15.000 1.00 14.21 C ATOM 533 CG1 ILE A 34 -13.156 5.322 -14.931 1.00 72.12 C ATOM 534 CG2 ILE A 34 -10.846 4.957 -14.024 1.00 44.22 C ATOM 535 CD1 ILE A 34 -13.949 5.137 -13.655 1.00 5.22 C ATOM 0 H ILE A 34 -13.174 3.580 -16.968 1.00 41.00 H new ATOM 0 HA ILE A 34 -11.068 5.453 -16.720 1.00 64.23 H new ATOM 0 HB ILE A 34 -12.169 3.435 -14.720 1.00 14.21 H new ATOM 0 HG12 ILE A 34 -12.869 6.370 -15.022 1.00 72.12 H new ATOM 0 HG13 ILE A 34 -13.795 5.091 -15.783 1.00 72.12 H new ATOM 0 HG21 ILE A 34 -11.258 4.963 -13.015 1.00 44.22 H new ATOM 0 HG22 ILE A 34 -9.976 4.301 -14.057 1.00 44.22 H new ATOM 0 HG23 ILE A 34 -10.549 5.969 -14.300 1.00 44.22 H new ATOM 0 HD11 ILE A 34 -14.826 5.784 -13.675 1.00 5.22 H new ATOM 0 HD12 ILE A 34 -14.266 4.098 -13.571 1.00 5.22 H new ATOM 0 HD13 ILE A 34 -13.326 5.396 -12.799 1.00 5.22 H new ATOM 547 N VAL A 35 -10.299 2.256 -16.652 1.00 40.25 N ATOM 548 CA VAL A 35 -9.194 1.308 -16.710 1.00 14.33 C ATOM 549 C VAL A 35 -8.498 1.357 -18.064 1.00 23.14 C ATOM 550 O VAL A 35 -7.272 1.446 -18.141 1.00 2.30 O ATOM 551 CB VAL A 35 -9.675 -0.132 -16.444 1.00 50.31 C ATOM 552 CG1 VAL A 35 -8.514 -1.109 -16.538 1.00 44.31 C ATOM 553 CG2 VAL A 35 -10.352 -0.224 -15.085 1.00 15.01 C ATOM 0 H VAL A 35 -11.222 1.835 -16.762 1.00 40.25 H new ATOM 0 HA VAL A 35 -8.488 1.597 -15.932 1.00 14.33 H new ATOM 0 HB VAL A 35 -10.406 -0.400 -17.207 1.00 50.31 H new ATOM 0 HG11 VAL A 35 -8.873 -2.120 -16.347 1.00 44.31 H new ATOM 0 HG12 VAL A 35 -8.078 -1.061 -17.536 1.00 44.31 H new ATOM 0 HG13 VAL A 35 -7.757 -0.847 -15.798 1.00 44.31 H new ATOM 0 HG21 VAL A 35 -10.686 -1.247 -14.913 1.00 15.01 H new ATOM 0 HG22 VAL A 35 -9.645 0.063 -14.306 1.00 15.01 H new ATOM 0 HG23 VAL A 35 -11.211 0.447 -15.060 1.00 15.01 H new ATOM 563 N TRP A 36 -9.287 1.299 -19.131 1.00 4.44 N ATOM 564 CA TRP A 36 -8.744 1.338 -20.485 1.00 34.43 C ATOM 565 C TRP A 36 -7.835 2.546 -20.673 1.00 11.41 C ATOM 566 O TRP A 36 -6.746 2.433 -21.235 1.00 2.31 O ATOM 567 CB TRP A 36 -9.880 1.375 -21.510 1.00 51.31 C ATOM 568 CG TRP A 36 -9.405 1.589 -22.915 1.00 10.34 C ATOM 569 CD1 TRP A 36 -9.043 0.625 -23.813 1.00 12.10 C ATOM 570 CD2 TRP A 36 -9.239 2.845 -23.582 1.00 24.32 C ATOM 571 NE1 TRP A 36 -8.662 1.207 -24.998 1.00 32.53 N ATOM 572 CE2 TRP A 36 -8.774 2.567 -24.883 1.00 53.43 C ATOM 573 CE3 TRP A 36 -9.440 4.175 -23.208 1.00 44.44 C ATOM 574 CZ2 TRP A 36 -8.506 3.573 -25.807 1.00 31.21 C ATOM 575 CZ3 TRP A 36 -9.175 5.173 -24.127 1.00 3.42 C ATOM 576 CH2 TRP A 36 -8.712 4.868 -25.415 1.00 11.13 C ATOM 0 H TRP A 36 -10.303 1.225 -19.086 1.00 4.44 H new ATOM 0 HA TRP A 36 -8.153 0.435 -20.639 1.00 34.43 H new ATOM 0 HB2 TRP A 36 -10.435 0.438 -21.460 1.00 51.31 H new ATOM 0 HB3 TRP A 36 -10.575 2.172 -21.243 1.00 51.31 H new ATOM 0 HD1 TRP A 36 -9.055 -0.438 -23.620 1.00 12.10 H new ATOM 0 HE1 TRP A 36 -8.347 0.707 -25.829 1.00 32.53 H new ATOM 0 HE3 TRP A 36 -9.796 4.420 -22.218 1.00 44.44 H new ATOM 0 HZ2 TRP A 36 -8.148 3.340 -26.799 1.00 31.21 H new ATOM 0 HZ3 TRP A 36 -9.327 6.205 -23.848 1.00 3.42 H new ATOM 0 HH2 TRP A 36 -8.514 5.670 -26.111 1.00 11.13 H new ATOM 587 N ALA A 37 -8.287 3.703 -20.199 1.00 74.52 N ATOM 588 CA ALA A 37 -7.512 4.931 -20.313 1.00 44.42 C ATOM 589 C ALA A 37 -6.198 4.825 -19.547 1.00 22.24 C ATOM 590 O ALA A 37 -5.187 5.402 -19.946 1.00 11.11 O ATOM 591 CB ALA A 37 -8.323 6.116 -19.811 1.00 52.33 C ATOM 0 H ALA A 37 -9.187 3.815 -19.732 1.00 74.52 H new ATOM 0 HA ALA A 37 -7.277 5.085 -21.366 1.00 44.42 H new ATOM 0 HB1 ALA A 37 -7.731 7.027 -19.902 1.00 52.33 H new ATOM 0 HB2 ALA A 37 -9.232 6.213 -20.405 1.00 52.33 H new ATOM 0 HB3 ALA A 37 -8.588 5.959 -18.765 1.00 52.33 H new ATOM 597 N SER A 38 -6.220 4.082 -18.444 1.00 24.40 N ATOM 598 CA SER A 38 -5.031 3.904 -17.619 1.00 24.35 C ATOM 599 C SER A 38 -3.975 3.085 -18.357 1.00 71.11 C ATOM 600 O SER A 38 -2.793 3.426 -18.349 1.00 2.34 O ATOM 601 CB SER A 38 -5.397 3.216 -16.302 1.00 22.21 C ATOM 602 OG SER A 38 -5.008 1.853 -16.313 1.00 52.43 O ATOM 0 H SER A 38 -7.048 3.594 -18.102 1.00 24.40 H new ATOM 0 HA SER A 38 -4.617 4.889 -17.404 1.00 24.35 H new ATOM 0 HB2 SER A 38 -4.911 3.729 -15.473 1.00 22.21 H new ATOM 0 HB3 SER A 38 -6.472 3.289 -16.136 1.00 22.21 H new ATOM 0 HG SER A 38 -5.633 1.339 -16.866 1.00 52.43 H new ATOM 608 N ARG A 39 -4.414 2.004 -18.993 1.00 4.05 N ATOM 609 CA ARG A 39 -3.507 1.135 -19.736 1.00 35.52 C ATOM 610 C ARG A 39 -3.020 1.818 -21.010 1.00 11.42 C ATOM 611 O ARG A 39 -1.876 1.636 -21.424 1.00 14.21 O ATOM 612 CB ARG A 39 -4.202 -0.183 -20.085 1.00 20.13 C ATOM 613 CG ARG A 39 -4.285 -1.155 -18.919 1.00 22.44 C ATOM 614 CD ARG A 39 -3.155 -2.171 -18.960 1.00 1.32 C ATOM 615 NE ARG A 39 -3.586 -3.450 -19.517 1.00 53.31 N ATOM 616 CZ ARG A 39 -2.863 -4.563 -19.452 1.00 54.45 C ATOM 617 NH1 ARG A 39 -1.680 -4.552 -18.854 1.00 4.22 N1+ ATOM 618 NH2 ARG A 39 -3.325 -5.687 -19.983 1.00 13.50 N ATOM 0 H ARG A 39 -5.390 1.709 -19.009 1.00 4.05 H new ATOM 0 HA ARG A 39 -2.644 0.927 -19.104 1.00 35.52 H new ATOM 0 HB2 ARG A 39 -5.210 0.031 -20.441 1.00 20.13 H new ATOM 0 HB3 ARG A 39 -3.667 -0.659 -20.907 1.00 20.13 H new ATOM 0 HG2 ARG A 39 -4.246 -0.603 -17.980 1.00 22.44 H new ATOM 0 HG3 ARG A 39 -5.243 -1.674 -18.944 1.00 22.44 H new ATOM 0 HD2 ARG A 39 -2.333 -1.775 -19.557 1.00 1.32 H new ATOM 0 HD3 ARG A 39 -2.771 -2.326 -17.952 1.00 1.32 H new ATOM 0 HE ARG A 39 -4.493 -3.491 -19.982 1.00 53.31 H new ATOM 0 HH11 ARG A 39 -1.324 -3.689 -18.443 1.00 4.22 H new ATOM 0 HH12 ARG A 39 -1.126 -5.407 -18.804 1.00 4.22 H new ATOM 0 HH21 ARG A 39 -4.236 -5.698 -20.442 1.00 13.50 H new ATOM 0 HH22 ARG A 39 -2.769 -6.541 -19.933 1.00 13.50 H new ATOM 632 N GLU A 40 -3.897 2.605 -21.625 1.00 3.01 N ATOM 633 CA GLU A 40 -3.556 3.314 -22.853 1.00 43.52 C ATOM 634 C GLU A 40 -2.698 4.541 -22.552 1.00 61.52 C ATOM 635 O GLU A 40 -1.926 4.995 -23.397 1.00 10.21 O ATOM 636 CB GLU A 40 -4.826 3.736 -23.595 1.00 23.23 C ATOM 637 CG GLU A 40 -4.879 3.252 -25.034 1.00 43.55 C ATOM 638 CD GLU A 40 -3.961 4.042 -25.949 1.00 21.43 C ATOM 639 OE1 GLU A 40 -2.740 4.060 -25.691 1.00 12.24 O ATOM 640 OE2 GLU A 40 -4.465 4.640 -26.922 1.00 4.25 O1- ATOM 0 H GLU A 40 -4.848 2.768 -21.294 1.00 3.01 H new ATOM 0 HA GLU A 40 -2.983 2.637 -23.486 1.00 43.52 H new ATOM 0 HB2 GLU A 40 -5.694 3.352 -23.059 1.00 23.23 H new ATOM 0 HB3 GLU A 40 -4.899 4.823 -23.583 1.00 23.23 H new ATOM 0 HG2 GLU A 40 -4.603 2.198 -25.070 1.00 43.55 H new ATOM 0 HG3 GLU A 40 -5.903 3.325 -25.401 1.00 43.55 H new ATOM 647 N LEU A 41 -2.842 5.073 -21.344 1.00 13.55 N ATOM 648 CA LEU A 41 -2.081 6.247 -20.929 1.00 61.22 C ATOM 649 C LEU A 41 -0.605 5.906 -20.754 1.00 43.31 C ATOM 650 O LEU A 41 0.265 6.572 -21.313 1.00 10.45 O ATOM 651 CB LEU A 41 -2.645 6.810 -19.624 1.00 13.32 C ATOM 652 CG LEU A 41 -3.650 7.953 -19.764 1.00 50.24 C ATOM 653 CD1 LEU A 41 -4.167 8.381 -18.400 1.00 13.41 C ATOM 654 CD2 LEU A 41 -3.019 9.132 -20.490 1.00 1.32 C ATOM 0 H LEU A 41 -3.479 4.711 -20.634 1.00 13.55 H new ATOM 0 HA LEU A 41 -2.170 7.001 -21.711 1.00 61.22 H new ATOM 0 HB2 LEU A 41 -3.124 5.997 -19.078 1.00 13.32 H new ATOM 0 HB3 LEU A 41 -1.813 7.158 -19.012 1.00 13.32 H new ATOM 0 HG LEU A 41 -4.494 7.597 -20.354 1.00 50.24 H new ATOM 0 HD11 LEU A 41 -4.881 9.196 -18.521 1.00 13.41 H new ATOM 0 HD12 LEU A 41 -4.658 7.537 -17.916 1.00 13.41 H new ATOM 0 HD13 LEU A 41 -3.333 8.718 -17.784 1.00 13.41 H new ATOM 0 HD21 LEU A 41 -3.749 9.936 -20.581 1.00 1.32 H new ATOM 0 HD22 LEU A 41 -2.156 9.487 -19.926 1.00 1.32 H new ATOM 0 HD23 LEU A 41 -2.699 8.819 -21.484 1.00 1.32 H new ATOM 666 N GLU A 42 -0.332 4.864 -19.976 1.00 23.24 N ATOM 667 CA GLU A 42 1.039 4.433 -19.728 1.00 41.11 C ATOM 668 C GLU A 42 1.772 4.171 -21.041 1.00 42.31 C ATOM 669 O GLU A 42 2.996 4.278 -21.113 1.00 10.41 O ATOM 670 CB GLU A 42 1.054 3.172 -18.863 1.00 54.15 C ATOM 671 CG GLU A 42 1.922 3.295 -17.622 1.00 42.41 C ATOM 672 CD GLU A 42 1.704 2.160 -16.642 1.00 33.05 C ATOM 673 OE1 GLU A 42 2.249 1.061 -16.874 1.00 3.42 O1- ATOM 674 OE2 GLU A 42 0.987 2.370 -15.641 1.00 35.24 O ATOM 0 H GLU A 42 -1.042 4.302 -19.506 1.00 23.24 H new ATOM 0 HA GLU A 42 1.553 5.234 -19.197 1.00 41.11 H new ATOM 0 HB2 GLU A 42 0.034 2.937 -18.560 1.00 54.15 H new ATOM 0 HB3 GLU A 42 1.409 2.334 -19.463 1.00 54.15 H new ATOM 0 HG2 GLU A 42 2.971 3.318 -17.918 1.00 42.41 H new ATOM 0 HG3 GLU A 42 1.710 4.243 -17.127 1.00 42.41 H new ATOM 681 N ARG A 43 1.014 3.826 -22.076 1.00 40.13 N ATOM 682 CA ARG A 43 1.591 3.547 -23.386 1.00 22.51 C ATOM 683 C ARG A 43 2.122 4.824 -24.030 1.00 4.04 C ATOM 684 O ARG A 43 3.061 4.786 -24.826 1.00 22.45 O ATOM 685 CB ARG A 43 0.547 2.899 -24.298 1.00 21.32 C ATOM 686 CG ARG A 43 1.123 1.843 -25.228 1.00 62.12 C ATOM 687 CD ARG A 43 0.605 2.010 -26.648 1.00 2.34 C ATOM 688 NE ARG A 43 -0.604 1.226 -26.886 1.00 60.33 N ATOM 689 CZ ARG A 43 -1.453 1.468 -27.878 1.00 72.34 C ATOM 690 NH1 ARG A 43 -1.227 2.467 -28.720 1.00 64.40 N1+ ATOM 691 NH2 ARG A 43 -2.532 0.711 -28.029 1.00 72.42 N ATOM 0 H ARG A 43 -0.001 3.733 -22.033 1.00 40.13 H new ATOM 0 HA ARG A 43 2.424 2.857 -23.249 1.00 22.51 H new ATOM 0 HB2 ARG A 43 -0.229 2.445 -23.682 1.00 21.32 H new ATOM 0 HB3 ARG A 43 0.067 3.674 -24.895 1.00 21.32 H new ATOM 0 HG2 ARG A 43 2.211 1.909 -25.226 1.00 62.12 H new ATOM 0 HG3 ARG A 43 0.863 0.851 -24.859 1.00 62.12 H new ATOM 0 HD2 ARG A 43 0.397 3.063 -26.836 1.00 2.34 H new ATOM 0 HD3 ARG A 43 1.378 1.707 -27.354 1.00 2.34 H new ATOM 0 HE ARG A 43 -0.807 0.450 -26.256 1.00 60.33 H new ATOM 0 HH11 ARG A 43 -0.399 3.052 -28.607 1.00 64.40 H new ATOM 0 HH12 ARG A 43 -1.881 2.650 -29.481 1.00 64.40 H new ATOM 0 HH21 ARG A 43 -2.710 -0.058 -27.383 1.00 72.42 H new ATOM 0 HH22 ARG A 43 -3.183 0.898 -28.791 1.00 72.42 H new ATOM 705 N PHE A 44 1.516 5.953 -23.680 1.00 43.31 N ATOM 706 CA PHE A 44 1.927 7.241 -24.225 1.00 44.11 C ATOM 707 C PHE A 44 2.890 7.951 -23.277 1.00 63.43 C ATOM 708 O PHE A 44 2.957 9.179 -23.248 1.00 63.04 O ATOM 709 CB PHE A 44 0.704 8.124 -24.483 1.00 44.31 C ATOM 710 CG PHE A 44 -0.131 7.668 -25.645 1.00 24.33 C ATOM 711 CD1 PHE A 44 0.405 7.618 -26.922 1.00 14.00 C ATOM 712 CD2 PHE A 44 -1.450 7.288 -25.462 1.00 52.31 C ATOM 713 CE1 PHE A 44 -0.360 7.199 -27.994 1.00 33.30 C ATOM 714 CE2 PHE A 44 -2.221 6.868 -26.529 1.00 70.24 C ATOM 715 CZ PHE A 44 -1.675 6.823 -27.796 1.00 3.13 C ATOM 0 H PHE A 44 0.739 6.002 -23.021 1.00 43.31 H new ATOM 0 HA PHE A 44 2.441 7.060 -25.169 1.00 44.11 H new ATOM 0 HB2 PHE A 44 0.084 8.144 -23.586 1.00 44.31 H new ATOM 0 HB3 PHE A 44 1.036 9.146 -24.664 1.00 44.31 H new ATOM 0 HD1 PHE A 44 1.433 7.910 -27.081 1.00 14.00 H new ATOM 0 HD2 PHE A 44 -1.882 7.320 -24.473 1.00 52.31 H new ATOM 0 HE1 PHE A 44 0.069 7.165 -28.985 1.00 33.30 H new ATOM 0 HE2 PHE A 44 -3.249 6.576 -26.372 1.00 70.24 H new ATOM 0 HZ PHE A 44 -2.275 6.494 -28.632 1.00 3.13 H new ATOM 725 N ALA A 45 3.632 7.167 -22.502 1.00 62.32 N ATOM 726 CA ALA A 45 4.591 7.719 -21.554 1.00 11.43 C ATOM 727 C ALA A 45 3.889 8.535 -20.474 1.00 40.23 C ATOM 728 O ALA A 45 4.500 9.391 -19.832 1.00 72.43 O ATOM 729 CB ALA A 45 5.619 8.574 -22.279 1.00 5.11 C ATOM 0 H ALA A 45 3.587 6.148 -22.512 1.00 62.32 H new ATOM 0 HA ALA A 45 5.103 6.888 -21.069 1.00 11.43 H new ATOM 0 HB1 ALA A 45 6.329 8.980 -21.558 1.00 5.11 H new ATOM 0 HB2 ALA A 45 6.151 7.963 -23.008 1.00 5.11 H new ATOM 0 HB3 ALA A 45 5.115 9.393 -22.792 1.00 5.11 H new ATOM 735 N VAL A 46 2.601 8.268 -20.279 1.00 64.10 N ATOM 736 CA VAL A 46 1.816 8.978 -19.278 1.00 41.14 C ATOM 737 C VAL A 46 1.295 8.024 -18.210 1.00 35.04 C ATOM 738 O VAL A 46 0.484 7.143 -18.492 1.00 32.21 O ATOM 739 CB VAL A 46 0.624 9.715 -19.918 1.00 34.34 C ATOM 740 CG1 VAL A 46 -0.207 10.412 -18.852 1.00 72.14 C ATOM 741 CG2 VAL A 46 1.109 10.707 -20.962 1.00 4.10 C ATOM 0 H VAL A 46 2.080 7.564 -20.802 1.00 64.10 H new ATOM 0 HA VAL A 46 2.480 9.709 -18.816 1.00 41.14 H new ATOM 0 HB VAL A 46 -0.010 8.981 -20.416 1.00 34.34 H new ATOM 0 HG11 VAL A 46 -1.044 10.927 -19.323 1.00 72.14 H new ATOM 0 HG12 VAL A 46 -0.586 9.674 -18.146 1.00 72.14 H new ATOM 0 HG13 VAL A 46 0.413 11.136 -18.323 1.00 72.14 H new ATOM 0 HG21 VAL A 46 0.253 11.218 -21.403 1.00 4.10 H new ATOM 0 HG22 VAL A 46 1.766 11.439 -20.491 1.00 4.10 H new ATOM 0 HG23 VAL A 46 1.656 10.177 -21.741 1.00 4.10 H new ATOM 751 N ASN A 47 1.767 8.204 -16.980 1.00 42.12 N ATOM 752 CA ASN A 47 1.350 7.359 -15.869 1.00 54.31 C ATOM 753 C ASN A 47 -0.147 7.503 -15.609 1.00 12.05 C ATOM 754 O ASN A 47 -0.725 8.581 -15.742 1.00 15.11 O ATOM 755 CB ASN A 47 2.135 7.717 -14.605 1.00 32.02 C ATOM 756 CG ASN A 47 2.793 6.506 -13.971 1.00 4.21 C ATOM 757 OD1 ASN A 47 2.426 6.091 -12.872 1.00 33.02 O ATOM 758 ND2 ASN A 47 3.772 5.935 -14.663 1.00 24.44 N ATOM 0 H ASN A 47 2.439 8.929 -16.729 1.00 42.12 H new ATOM 0 HA ASN A 47 1.557 6.323 -16.136 1.00 54.31 H new ATOM 0 HB2 ASN A 47 2.899 8.455 -14.851 1.00 32.02 H new ATOM 0 HB3 ASN A 47 1.464 8.182 -13.883 1.00 32.02 H new ATOM 0 HD21 ASN A 47 4.253 5.118 -14.287 1.00 24.44 H new ATOM 0 HD22 ASN A 47 4.043 6.313 -15.571 1.00 24.44 H new ATOM 765 N PRO A 48 -0.791 6.389 -15.228 1.00 3.44 N ATOM 766 CA PRO A 48 -2.228 6.364 -14.940 1.00 43.22 C ATOM 767 C PRO A 48 -2.576 7.120 -13.661 1.00 23.24 C ATOM 768 O PRO A 48 -3.744 7.386 -13.385 1.00 44.03 O ATOM 769 CB PRO A 48 -2.532 4.873 -14.779 1.00 34.33 C ATOM 770 CG PRO A 48 -1.236 4.264 -14.366 1.00 31.51 C ATOM 771 CD PRO A 48 -0.165 5.068 -15.049 1.00 21.34 C ATOM 0 HA PRO A 48 -2.809 6.849 -15.724 1.00 43.22 H new ATOM 0 HB2 PRO A 48 -3.305 4.705 -14.029 1.00 34.33 H new ATOM 0 HB3 PRO A 48 -2.894 4.440 -15.712 1.00 34.33 H new ATOM 0 HG2 PRO A 48 -1.117 4.296 -13.283 1.00 31.51 H new ATOM 0 HG3 PRO A 48 -1.185 3.216 -14.661 1.00 31.51 H new ATOM 0 HD2 PRO A 48 0.739 5.131 -14.443 1.00 21.34 H new ATOM 0 HD3 PRO A 48 0.122 4.627 -16.004 1.00 21.34 H new ATOM 779 N GLY A 49 -1.553 7.463 -12.885 1.00 1.34 N ATOM 780 CA GLY A 49 -1.771 8.185 -11.646 1.00 12.31 C ATOM 781 C GLY A 49 -2.279 9.594 -11.877 1.00 5.50 C ATOM 782 O GLY A 49 -2.713 10.268 -10.941 1.00 21.12 O ATOM 0 H GLY A 49 -0.577 7.254 -13.093 1.00 1.34 H new ATOM 0 HA2 GLY A 49 -2.488 7.640 -11.033 1.00 12.31 H new ATOM 0 HA3 GLY A 49 -0.838 8.226 -11.084 1.00 12.31 H new ATOM 786 N LEU A 50 -2.224 10.043 -13.126 1.00 14.32 N ATOM 787 CA LEU A 50 -2.681 11.383 -13.478 1.00 45.12 C ATOM 788 C LEU A 50 -4.203 11.441 -13.539 1.00 71.51 C ATOM 789 O LEU A 50 -4.802 12.507 -13.389 1.00 31.43 O ATOM 790 CB LEU A 50 -2.089 11.808 -14.823 1.00 0.45 C ATOM 791 CG LEU A 50 -0.564 11.742 -14.936 1.00 74.44 C ATOM 792 CD1 LEU A 50 -0.105 12.301 -16.273 1.00 44.21 C ATOM 793 CD2 LEU A 50 0.088 12.495 -13.787 1.00 45.54 C ATOM 0 H LEU A 50 -1.868 9.499 -13.912 1.00 14.32 H new ATOM 0 HA LEU A 50 -2.341 12.071 -12.704 1.00 45.12 H new ATOM 0 HB2 LEU A 50 -2.519 11.178 -15.602 1.00 0.45 H new ATOM 0 HB3 LEU A 50 -2.405 12.831 -15.030 1.00 0.45 H new ATOM 0 HG LEU A 50 -0.258 10.697 -14.878 1.00 74.44 H new ATOM 0 HD11 LEU A 50 0.982 12.246 -16.336 1.00 44.21 H new ATOM 0 HD12 LEU A 50 -0.545 11.718 -17.082 1.00 44.21 H new ATOM 0 HD13 LEU A 50 -0.422 13.340 -16.361 1.00 44.21 H new ATOM 0 HD21 LEU A 50 1.172 12.438 -13.883 1.00 45.54 H new ATOM 0 HD22 LEU A 50 -0.224 13.539 -13.813 1.00 45.54 H new ATOM 0 HD23 LEU A 50 -0.216 12.049 -12.840 1.00 45.54 H new ATOM 805 N LEU A 51 -4.825 10.288 -13.759 1.00 34.44 N ATOM 806 CA LEU A 51 -6.281 10.206 -13.838 1.00 11.53 C ATOM 807 C LEU A 51 -6.903 10.231 -12.445 1.00 23.21 C ATOM 808 O LEU A 51 -8.080 10.552 -12.288 1.00 31.33 O ATOM 809 CB LEU A 51 -6.700 8.932 -14.574 1.00 44.33 C ATOM 810 CG LEU A 51 -6.478 8.929 -16.087 1.00 34.30 C ATOM 811 CD1 LEU A 51 -6.716 7.539 -16.657 1.00 22.14 C ATOM 812 CD2 LEU A 51 -7.386 9.946 -16.762 1.00 74.24 C ATOM 0 H LEU A 51 -4.345 9.397 -13.886 1.00 34.44 H new ATOM 0 HA LEU A 51 -6.641 11.073 -14.392 1.00 11.53 H new ATOM 0 HB2 LEU A 51 -6.154 8.092 -14.145 1.00 44.33 H new ATOM 0 HB3 LEU A 51 -7.758 8.756 -14.382 1.00 44.33 H new ATOM 0 HG LEU A 51 -5.443 9.209 -16.284 1.00 34.30 H new ATOM 0 HD11 LEU A 51 -6.554 7.555 -17.735 1.00 22.14 H new ATOM 0 HD12 LEU A 51 -6.024 6.834 -16.196 1.00 22.14 H new ATOM 0 HD13 LEU A 51 -7.741 7.231 -16.449 1.00 22.14 H new ATOM 0 HD21 LEU A 51 -7.214 9.930 -17.838 1.00 74.24 H new ATOM 0 HD22 LEU A 51 -8.427 9.697 -16.557 1.00 74.24 H new ATOM 0 HD23 LEU A 51 -7.168 10.941 -16.375 1.00 74.24 H new ATOM 824 N GLU A 52 -6.104 9.891 -11.439 1.00 11.52 N ATOM 825 CA GLU A 52 -6.577 9.877 -10.060 1.00 22.13 C ATOM 826 C GLU A 52 -6.244 11.189 -9.356 1.00 75.35 C ATOM 827 O GLU A 52 -6.171 11.247 -8.128 1.00 60.13 O ATOM 828 CB GLU A 52 -5.957 8.703 -9.297 1.00 42.35 C ATOM 829 CG GLU A 52 -4.450 8.814 -9.133 1.00 21.13 C ATOM 830 CD GLU A 52 -3.912 7.894 -8.055 1.00 32.43 C ATOM 831 OE1 GLU A 52 -3.878 6.666 -8.284 1.00 51.53 O1- ATOM 832 OE2 GLU A 52 -3.525 8.401 -6.981 1.00 4.21 O ATOM 0 H GLU A 52 -5.127 9.622 -11.553 1.00 11.52 H new ATOM 0 HA GLU A 52 -7.661 9.759 -10.076 1.00 22.13 H new ATOM 0 HB2 GLU A 52 -6.418 8.637 -8.311 1.00 42.35 H new ATOM 0 HB3 GLU A 52 -6.190 7.776 -9.821 1.00 42.35 H new ATOM 0 HG2 GLU A 52 -3.967 8.578 -10.081 1.00 21.13 H new ATOM 0 HG3 GLU A 52 -4.190 9.844 -8.890 1.00 21.13 H new ATOM 839 N THR A 53 -6.042 12.241 -10.143 1.00 12.44 N ATOM 840 CA THR A 53 -5.715 13.553 -9.597 1.00 23.24 C ATOM 841 C THR A 53 -6.292 14.667 -10.461 1.00 73.30 C ATOM 842 O THR A 53 -5.944 14.799 -11.635 1.00 72.25 O ATOM 843 CB THR A 53 -4.191 13.747 -9.478 1.00 30.40 C ATOM 844 OG1 THR A 53 -3.894 15.117 -9.186 1.00 34.01 O ATOM 845 CG2 THR A 53 -3.491 13.334 -10.763 1.00 20.44 C ATOM 0 H THR A 53 -6.099 12.210 -11.161 1.00 12.44 H new ATOM 0 HA THR A 53 -6.159 13.602 -8.603 1.00 23.24 H new ATOM 0 HB THR A 53 -3.828 13.116 -8.667 1.00 30.40 H new ATOM 0 HG1 THR A 53 -2.925 15.229 -9.094 1.00 34.01 H new ATOM 0 HG21 THR A 53 -2.416 13.480 -10.655 1.00 20.44 H new ATOM 0 HG22 THR A 53 -3.696 12.283 -10.967 1.00 20.44 H new ATOM 0 HG23 THR A 53 -3.858 13.943 -11.589 1.00 20.44 H new ATOM 853 N SER A 54 -7.176 15.468 -9.873 1.00 22.43 N ATOM 854 CA SER A 54 -7.804 16.571 -10.591 1.00 25.24 C ATOM 855 C SER A 54 -6.755 17.550 -11.107 1.00 43.25 C ATOM 856 O SER A 54 -7.007 18.310 -12.042 1.00 72.42 O ATOM 857 CB SER A 54 -8.796 17.299 -9.683 1.00 45.44 C ATOM 858 OG SER A 54 -9.976 17.643 -10.388 1.00 22.12 O ATOM 0 H SER A 54 -7.473 15.373 -8.902 1.00 22.43 H new ATOM 0 HA SER A 54 -8.341 16.158 -11.445 1.00 25.24 H new ATOM 0 HB2 SER A 54 -9.048 16.665 -8.833 1.00 45.44 H new ATOM 0 HB3 SER A 54 -8.333 18.200 -9.282 1.00 45.44 H new ATOM 0 HG SER A 54 -9.761 17.795 -11.332 1.00 22.12 H new ATOM 864 N GLU A 55 -5.578 17.527 -10.490 1.00 21.44 N ATOM 865 CA GLU A 55 -4.490 18.413 -10.887 1.00 50.55 C ATOM 866 C GLU A 55 -3.622 17.764 -11.960 1.00 24.32 C ATOM 867 O GLU A 55 -3.408 18.332 -13.030 1.00 51.45 O ATOM 868 CB GLU A 55 -3.633 18.780 -9.673 1.00 23.01 C ATOM 869 CG GLU A 55 -2.411 19.613 -10.021 1.00 41.11 C ATOM 870 CD GLU A 55 -1.592 19.985 -8.800 1.00 32.34 C ATOM 871 OE1 GLU A 55 -2.173 20.056 -7.696 1.00 4.33 O ATOM 872 OE2 GLU A 55 -0.371 20.203 -8.947 1.00 71.20 O1- ATOM 0 H GLU A 55 -5.353 16.905 -9.714 1.00 21.44 H new ATOM 0 HA GLU A 55 -4.928 19.321 -11.301 1.00 50.55 H new ATOM 0 HB2 GLU A 55 -4.246 19.330 -8.959 1.00 23.01 H new ATOM 0 HB3 GLU A 55 -3.309 17.865 -9.177 1.00 23.01 H new ATOM 0 HG2 GLU A 55 -1.784 19.058 -10.719 1.00 41.11 H new ATOM 0 HG3 GLU A 55 -2.729 20.522 -10.532 1.00 41.11 H new ATOM 879 N GLY A 56 -3.122 16.567 -11.664 1.00 71.33 N ATOM 880 CA GLY A 56 -2.282 15.860 -12.613 1.00 72.03 C ATOM 881 C GLY A 56 -2.985 15.602 -13.931 1.00 3.54 C ATOM 882 O GLY A 56 -2.338 15.350 -14.948 1.00 21.14 O ATOM 0 H GLY A 56 -3.284 16.075 -10.785 1.00 71.33 H new ATOM 0 HA2 GLY A 56 -1.377 16.440 -12.795 1.00 72.03 H new ATOM 0 HA3 GLY A 56 -1.970 14.910 -12.179 1.00 72.03 H new ATOM 886 N CYS A 57 -4.312 15.664 -13.914 1.00 15.43 N ATOM 887 CA CYS A 57 -5.104 15.433 -15.116 1.00 44.22 C ATOM 888 C CYS A 57 -4.911 16.566 -16.120 1.00 20.22 C ATOM 889 O CYS A 57 -4.787 16.329 -17.321 1.00 44.23 O ATOM 890 CB CYS A 57 -6.584 15.297 -14.759 1.00 63.14 C ATOM 891 SG CYS A 57 -7.291 13.679 -15.145 1.00 72.50 S ATOM 0 H CYS A 57 -4.862 15.872 -13.081 1.00 15.43 H new ATOM 0 HA CYS A 57 -4.763 14.505 -15.574 1.00 44.22 H new ATOM 0 HB2 CYS A 57 -6.709 15.491 -13.694 1.00 63.14 H new ATOM 0 HB3 CYS A 57 -7.147 16.064 -15.291 1.00 63.14 H new ATOM 0 HG CYS A 57 -8.546 13.661 -14.805 1.00 72.50 H new ATOM 897 N ARG A 58 -4.890 17.796 -15.619 1.00 55.21 N ATOM 898 CA ARG A 58 -4.716 18.966 -16.471 1.00 52.11 C ATOM 899 C ARG A 58 -3.489 18.810 -17.364 1.00 74.04 C ATOM 900 O ARG A 58 -3.447 19.341 -18.474 1.00 10.22 O ATOM 901 CB ARG A 58 -4.583 20.229 -15.618 1.00 64.42 C ATOM 902 CG ARG A 58 -5.606 21.302 -15.954 1.00 63.32 C ATOM 903 CD ARG A 58 -5.382 22.563 -15.136 1.00 5.31 C ATOM 904 NE ARG A 58 -4.081 23.167 -15.407 1.00 45.23 N ATOM 905 CZ ARG A 58 -3.512 24.074 -14.620 1.00 23.35 C ATOM 906 NH1 ARG A 58 -4.126 24.477 -13.516 1.00 61.23 N1+ ATOM 907 NH2 ARG A 58 -2.325 24.577 -14.935 1.00 15.24 N ATOM 0 H ARG A 58 -4.991 18.009 -14.627 1.00 55.21 H new ATOM 0 HA ARG A 58 -5.597 19.057 -17.106 1.00 52.11 H new ATOM 0 HB2 ARG A 58 -4.684 19.959 -14.567 1.00 64.42 H new ATOM 0 HB3 ARG A 58 -3.582 20.640 -15.747 1.00 64.42 H new ATOM 0 HG2 ARG A 58 -5.548 21.541 -17.016 1.00 63.32 H new ATOM 0 HG3 ARG A 58 -6.610 20.920 -15.768 1.00 63.32 H new ATOM 0 HD2 ARG A 58 -6.169 23.283 -15.358 1.00 5.31 H new ATOM 0 HD3 ARG A 58 -5.457 22.325 -14.075 1.00 5.31 H new ATOM 0 HE ARG A 58 -3.581 22.877 -16.247 1.00 45.23 H new ATOM 0 HH11 ARG A 58 -5.037 24.091 -13.269 1.00 61.23 H new ATOM 0 HH12 ARG A 58 -3.687 25.173 -12.914 1.00 61.23 H new ATOM 0 HH21 ARG A 58 -1.848 24.267 -15.782 1.00 15.24 H new ATOM 0 HH22 ARG A 58 -1.889 25.273 -14.330 1.00 15.24 H new ATOM 921 N GLN A 59 -2.494 18.080 -16.871 1.00 61.31 N ATOM 922 CA GLN A 59 -1.266 17.857 -17.625 1.00 32.55 C ATOM 923 C GLN A 59 -1.533 17.005 -18.862 1.00 54.13 C ATOM 924 O GLN A 59 -0.930 17.215 -19.914 1.00 42.14 O ATOM 925 CB GLN A 59 -0.217 17.178 -16.742 1.00 54.15 C ATOM 926 CG GLN A 59 0.972 18.069 -16.417 1.00 2.05 C ATOM 927 CD GLN A 59 1.405 17.959 -14.969 1.00 50.11 C ATOM 928 OE1 GLN A 59 2.552 17.621 -14.676 1.00 35.25 O ATOM 929 NE2 GLN A 59 0.488 18.246 -14.053 1.00 72.43 N ATOM 0 H GLN A 59 -2.514 17.633 -15.954 1.00 61.31 H new ATOM 0 HA GLN A 59 -0.887 18.827 -17.948 1.00 32.55 H new ATOM 0 HB2 GLN A 59 -0.688 16.860 -15.812 1.00 54.15 H new ATOM 0 HB3 GLN A 59 0.140 16.278 -17.242 1.00 54.15 H new ATOM 0 HG2 GLN A 59 1.808 17.803 -17.063 1.00 2.05 H new ATOM 0 HG3 GLN A 59 0.716 19.105 -16.638 1.00 2.05 H new ATOM 0 HE21 GLN A 59 -0.451 18.522 -14.340 1.00 72.43 H new ATOM 0 HE22 GLN A 59 0.722 18.191 -13.062 1.00 72.43 H new ATOM 938 N ILE A 60 -2.441 16.043 -18.727 1.00 44.44 N ATOM 939 CA ILE A 60 -2.788 15.161 -19.833 1.00 42.14 C ATOM 940 C ILE A 60 -3.507 15.925 -20.940 1.00 73.42 C ATOM 941 O ILE A 60 -3.054 15.956 -22.085 1.00 3.11 O ATOM 942 CB ILE A 60 -3.679 13.996 -19.366 1.00 72.41 C ATOM 943 CG1 ILE A 60 -3.052 13.299 -18.156 1.00 23.32 C ATOM 944 CG2 ILE A 60 -3.896 13.006 -20.501 1.00 11.42 C ATOM 945 CD1 ILE A 60 -3.929 12.222 -17.558 1.00 21.44 C ATOM 0 H ILE A 60 -2.949 15.856 -17.862 1.00 44.44 H new ATOM 0 HA ILE A 60 -1.852 14.758 -20.221 1.00 42.14 H new ATOM 0 HB ILE A 60 -4.649 14.396 -19.069 1.00 72.41 H new ATOM 0 HG12 ILE A 60 -2.101 12.858 -18.454 1.00 23.32 H new ATOM 0 HG13 ILE A 60 -2.833 14.044 -17.391 1.00 23.32 H new ATOM 0 HG21 ILE A 60 -4.528 12.188 -20.155 1.00 11.42 H new ATOM 0 HG22 ILE A 60 -4.381 13.511 -21.336 1.00 11.42 H new ATOM 0 HG23 ILE A 60 -2.934 12.609 -20.826 1.00 11.42 H new ATOM 0 HD11 ILE A 60 -3.421 11.771 -16.705 1.00 21.44 H new ATOM 0 HD12 ILE A 60 -4.871 12.661 -17.229 1.00 21.44 H new ATOM 0 HD13 ILE A 60 -4.128 11.456 -18.308 1.00 21.44 H new ATOM 957 N LEU A 61 -4.632 16.541 -20.592 1.00 2.44 N ATOM 958 CA LEU A 61 -5.415 17.306 -21.555 1.00 43.53 C ATOM 959 C LEU A 61 -4.559 18.378 -22.223 1.00 23.32 C ATOM 960 O LEU A 61 -4.819 18.776 -23.358 1.00 52.41 O ATOM 961 CB LEU A 61 -6.616 17.956 -20.864 1.00 73.20 C ATOM 962 CG LEU A 61 -7.594 17.000 -20.179 1.00 4.25 C ATOM 963 CD1 LEU A 61 -8.266 17.680 -18.997 1.00 65.43 C ATOM 964 CD2 LEU A 61 -8.633 16.500 -21.171 1.00 21.44 C ATOM 0 H LEU A 61 -5.022 16.525 -19.650 1.00 2.44 H new ATOM 0 HA LEU A 61 -5.772 16.620 -22.323 1.00 43.53 H new ATOM 0 HB2 LEU A 61 -6.244 18.659 -20.119 1.00 73.20 H new ATOM 0 HB3 LEU A 61 -7.165 18.537 -21.605 1.00 73.20 H new ATOM 0 HG LEU A 61 -7.034 16.142 -19.807 1.00 4.25 H new ATOM 0 HD11 LEU A 61 -8.958 16.984 -18.522 1.00 65.43 H new ATOM 0 HD12 LEU A 61 -7.509 17.988 -18.276 1.00 65.43 H new ATOM 0 HD13 LEU A 61 -8.813 18.556 -19.344 1.00 65.43 H new ATOM 0 HD21 LEU A 61 -9.321 15.821 -20.667 1.00 21.44 H new ATOM 0 HD22 LEU A 61 -9.189 17.347 -21.573 1.00 21.44 H new ATOM 0 HD23 LEU A 61 -8.135 15.973 -21.985 1.00 21.44 H new ATOM 976 N GLY A 62 -3.534 18.839 -21.513 1.00 13.14 N ATOM 977 CA GLY A 62 -2.654 19.858 -22.054 1.00 73.14 C ATOM 978 C GLY A 62 -1.876 19.370 -23.260 1.00 11.23 C ATOM 979 O GLY A 62 -1.372 20.172 -24.045 1.00 24.31 O ATOM 0 H GLY A 62 -3.297 18.525 -20.572 1.00 13.14 H new ATOM 0 HA2 GLY A 62 -3.243 20.731 -22.334 1.00 73.14 H new ATOM 0 HA3 GLY A 62 -1.956 20.179 -21.281 1.00 73.14 H new ATOM 983 N GLN A 63 -1.775 18.053 -23.404 1.00 73.41 N ATOM 984 CA GLN A 63 -1.050 17.460 -24.521 1.00 21.30 C ATOM 985 C GLN A 63 -2.013 16.989 -25.607 1.00 54.23 C ATOM 986 O GLN A 63 -1.651 16.912 -26.782 1.00 55.11 O ATOM 987 CB GLN A 63 -0.195 16.288 -24.038 1.00 34.31 C ATOM 988 CG GLN A 63 1.271 16.641 -23.849 1.00 4.22 C ATOM 989 CD GLN A 63 1.556 17.247 -22.489 1.00 53.13 C ATOM 990 OE1 GLN A 63 1.370 16.600 -21.458 1.00 43.31 O ATOM 991 NE2 GLN A 63 2.009 18.495 -22.480 1.00 12.33 N ATOM 0 H GLN A 63 -2.186 17.376 -22.761 1.00 73.41 H new ATOM 0 HA GLN A 63 -0.399 18.225 -24.945 1.00 21.30 H new ATOM 0 HB2 GLN A 63 -0.596 15.921 -23.093 1.00 34.31 H new ATOM 0 HB3 GLN A 63 -0.274 15.472 -24.756 1.00 34.31 H new ATOM 0 HG2 GLN A 63 1.876 15.743 -23.976 1.00 4.22 H new ATOM 0 HG3 GLN A 63 1.575 17.343 -24.626 1.00 4.22 H new ATOM 0 HE21 GLN A 63 2.148 18.993 -23.359 1.00 12.33 H new ATOM 0 HE22 GLN A 63 2.218 18.955 -21.594 1.00 12.33 H new ATOM 1000 N LEU A 64 -3.240 16.675 -25.206 1.00 63.42 N ATOM 1001 CA LEU A 64 -4.256 16.210 -26.145 1.00 3.54 C ATOM 1002 C LEU A 64 -4.977 17.388 -26.792 1.00 63.20 C ATOM 1003 O LEU A 64 -5.491 17.276 -27.905 1.00 40.14 O ATOM 1004 CB LEU A 64 -5.265 15.309 -25.431 1.00 51.52 C ATOM 1005 CG LEU A 64 -4.723 13.977 -24.909 1.00 72.24 C ATOM 1006 CD1 LEU A 64 -5.845 13.145 -24.308 1.00 14.41 C ATOM 1007 CD2 LEU A 64 -4.028 13.210 -26.025 1.00 40.44 C ATOM 0 H LEU A 64 -3.556 16.734 -24.238 1.00 63.42 H new ATOM 0 HA LEU A 64 -3.758 15.637 -26.928 1.00 3.54 H new ATOM 0 HB2 LEU A 64 -5.685 15.862 -24.591 1.00 51.52 H new ATOM 0 HB3 LEU A 64 -6.086 15.101 -26.118 1.00 51.52 H new ATOM 0 HG LEU A 64 -3.992 14.185 -24.128 1.00 72.24 H new ATOM 0 HD11 LEU A 64 -5.442 12.201 -23.942 1.00 14.41 H new ATOM 0 HD12 LEU A 64 -6.300 13.691 -23.481 1.00 14.41 H new ATOM 0 HD13 LEU A 64 -6.599 12.946 -25.070 1.00 14.41 H new ATOM 0 HD21 LEU A 64 -3.649 12.265 -25.636 1.00 40.44 H new ATOM 0 HD22 LEU A 64 -4.738 13.013 -26.828 1.00 40.44 H new ATOM 0 HD23 LEU A 64 -3.199 13.802 -26.412 1.00 40.44 H new ATOM 1019 N GLN A 65 -5.010 18.514 -26.089 1.00 40.15 N ATOM 1020 CA GLN A 65 -5.667 19.713 -26.597 1.00 53.21 C ATOM 1021 C GLN A 65 -5.167 20.056 -27.997 1.00 74.23 C ATOM 1022 O GLN A 65 -5.926 20.074 -28.966 1.00 53.22 O ATOM 1023 CB GLN A 65 -5.426 20.892 -25.653 1.00 32.13 C ATOM 1024 CG GLN A 65 -6.635 21.250 -24.805 1.00 32.14 C ATOM 1025 CD GLN A 65 -7.536 22.271 -25.472 1.00 24.13 C ATOM 1026 OE1 GLN A 65 -8.605 21.934 -25.980 1.00 25.14 O ATOM 1027 NE2 GLN A 65 -7.106 23.527 -25.474 1.00 32.40 N ATOM 0 H GLN A 65 -4.590 18.622 -25.166 1.00 40.15 H new ATOM 0 HA GLN A 65 -6.737 19.514 -26.652 1.00 53.21 H new ATOM 0 HB2 GLN A 65 -4.589 20.655 -24.996 1.00 32.13 H new ATOM 0 HB3 GLN A 65 -5.134 21.763 -26.240 1.00 32.13 H new ATOM 0 HG2 GLN A 65 -7.208 20.346 -24.597 1.00 32.14 H new ATOM 0 HG3 GLN A 65 -6.297 21.641 -23.845 1.00 32.14 H new ATOM 0 HE21 GLN A 65 -6.213 23.761 -25.041 1.00 32.40 H new ATOM 0 HE22 GLN A 65 -7.669 24.258 -25.909 1.00 32.40 H new ATOM 1036 N PRO A 66 -3.861 20.337 -28.106 1.00 23.31 N ATOM 1037 CA PRO A 66 -3.230 20.685 -29.384 1.00 33.33 C ATOM 1038 C PRO A 66 -3.156 19.497 -30.336 1.00 24.22 C ATOM 1039 O PRO A 66 -2.949 19.664 -31.538 1.00 61.10 O ATOM 1040 CB PRO A 66 -1.825 21.132 -28.975 1.00 33.34 C ATOM 1041 CG PRO A 66 -1.565 20.434 -27.684 1.00 72.05 C ATOM 1042 CD PRO A 66 -2.897 20.335 -26.993 1.00 34.12 C ATOM 0 HA PRO A 66 -3.794 21.446 -29.924 1.00 33.33 H new ATOM 0 HB2 PRO A 66 -1.087 20.857 -29.729 1.00 33.34 H new ATOM 0 HB3 PRO A 66 -1.773 22.214 -28.857 1.00 33.34 H new ATOM 0 HG2 PRO A 66 -1.139 19.445 -27.854 1.00 72.05 H new ATOM 0 HG3 PRO A 66 -0.850 20.989 -27.077 1.00 72.05 H new ATOM 0 HD2 PRO A 66 -2.974 19.426 -26.397 1.00 34.12 H new ATOM 0 HD3 PRO A 66 -3.062 21.174 -26.317 1.00 34.12 H new ATOM 1050 N SER A 67 -3.328 18.296 -29.792 1.00 5.13 N ATOM 1051 CA SER A 67 -3.277 17.079 -30.593 1.00 5.24 C ATOM 1052 C SER A 67 -4.681 16.551 -30.871 1.00 13.35 C ATOM 1053 O SER A 67 -4.876 15.353 -31.080 1.00 32.11 O ATOM 1054 CB SER A 67 -2.448 16.008 -29.880 1.00 64.03 C ATOM 1055 OG SER A 67 -1.164 16.501 -29.537 1.00 34.02 O ATOM 0 H SER A 67 -3.504 18.140 -28.799 1.00 5.13 H new ATOM 0 HA SER A 67 -2.804 17.320 -31.545 1.00 5.24 H new ATOM 0 HB2 SER A 67 -2.968 15.681 -28.980 1.00 64.03 H new ATOM 0 HB3 SER A 67 -2.346 15.135 -30.524 1.00 64.03 H new ATOM 0 HG SER A 67 -1.139 16.710 -28.580 1.00 34.02 H new ATOM 1061 N LEU A 68 -5.656 17.453 -30.869 1.00 43.30 N ATOM 1062 CA LEU A 68 -7.043 17.080 -31.120 1.00 51.54 C ATOM 1063 C LEU A 68 -7.316 16.971 -32.616 1.00 64.42 C ATOM 1064 O LEU A 68 -8.073 16.107 -33.057 1.00 34.43 O ATOM 1065 CB LEU A 68 -7.989 18.106 -30.492 1.00 42.25 C ATOM 1066 CG LEU A 68 -8.533 17.757 -29.107 1.00 32.23 C ATOM 1067 CD1 LEU A 68 -9.416 18.879 -28.581 1.00 20.04 C ATOM 1068 CD2 LEU A 68 -9.305 16.446 -29.152 1.00 21.41 C ATOM 0 H LEU A 68 -5.511 18.448 -30.696 1.00 43.30 H new ATOM 0 HA LEU A 68 -7.219 16.105 -30.665 1.00 51.54 H new ATOM 0 HB2 LEU A 68 -7.466 19.060 -30.425 1.00 42.25 H new ATOM 0 HB3 LEU A 68 -8.833 18.252 -31.166 1.00 42.25 H new ATOM 0 HG LEU A 68 -7.690 17.637 -28.427 1.00 32.23 H new ATOM 0 HD11 LEU A 68 -9.794 18.612 -27.594 1.00 20.04 H new ATOM 0 HD12 LEU A 68 -8.834 19.798 -28.510 1.00 20.04 H new ATOM 0 HD13 LEU A 68 -10.254 19.032 -29.261 1.00 20.04 H new ATOM 0 HD21 LEU A 68 -9.685 16.213 -28.157 1.00 21.41 H new ATOM 0 HD22 LEU A 68 -10.140 16.539 -29.847 1.00 21.41 H new ATOM 0 HD23 LEU A 68 -8.644 15.646 -29.484 1.00 21.41 H new ATOM 1080 N GLN A 69 -6.691 17.851 -33.393 1.00 73.50 N ATOM 1081 CA GLN A 69 -6.865 17.851 -34.840 1.00 63.24 C ATOM 1082 C GLN A 69 -5.985 16.791 -35.494 1.00 63.54 C ATOM 1083 O GLN A 69 -6.410 16.101 -36.422 1.00 44.45 O ATOM 1084 CB GLN A 69 -6.537 19.230 -35.414 1.00 64.45 C ATOM 1085 CG GLN A 69 -6.987 19.412 -36.855 1.00 71.55 C ATOM 1086 CD GLN A 69 -5.849 19.801 -37.778 1.00 71.40 C ATOM 1087 OE1 GLN A 69 -5.409 20.950 -37.790 1.00 44.20 O ATOM 1088 NE2 GLN A 69 -5.367 18.841 -38.559 1.00 3.33 N ATOM 0 H GLN A 69 -6.060 18.572 -33.044 1.00 73.50 H new ATOM 0 HA GLN A 69 -7.907 17.615 -35.056 1.00 63.24 H new ATOM 0 HB2 GLN A 69 -7.009 19.993 -34.796 1.00 64.45 H new ATOM 0 HB3 GLN A 69 -5.461 19.392 -35.355 1.00 64.45 H new ATOM 0 HG2 GLN A 69 -7.437 18.485 -37.211 1.00 71.55 H new ATOM 0 HG3 GLN A 69 -7.761 20.179 -36.896 1.00 71.55 H new ATOM 0 HE21 GLN A 69 -5.762 17.902 -38.516 1.00 3.33 H new ATOM 0 HE22 GLN A 69 -4.601 19.043 -39.202 1.00 3.33 H new ATOM 1097 N THR A 70 -4.755 16.667 -35.007 1.00 1.41 N ATOM 1098 CA THR A 70 -3.814 15.694 -35.545 1.00 11.25 C ATOM 1099 C THR A 70 -3.829 14.406 -34.729 1.00 23.15 C ATOM 1100 O THR A 70 -2.810 13.727 -34.603 1.00 2.43 O ATOM 1101 CB THR A 70 -2.379 16.254 -35.573 1.00 74.10 C ATOM 1102 OG1 THR A 70 -2.060 16.843 -34.307 1.00 1.42 O ATOM 1103 CG2 THR A 70 -2.225 17.291 -36.674 1.00 62.40 C ATOM 0 H THR A 70 -4.387 17.229 -34.240 1.00 1.41 H new ATOM 0 HA THR A 70 -4.131 15.479 -36.565 1.00 11.25 H new ATOM 0 HB THR A 70 -1.694 15.431 -35.774 1.00 74.10 H new ATOM 0 HG1 THR A 70 -1.146 17.195 -34.331 1.00 1.42 H new ATOM 0 HG21 THR A 70 -1.204 17.672 -36.674 1.00 62.40 H new ATOM 0 HG22 THR A 70 -2.442 16.832 -37.639 1.00 62.40 H new ATOM 0 HG23 THR A 70 -2.919 18.113 -36.499 1.00 62.40 H new ATOM 1111 N GLY A 71 -4.991 14.074 -34.176 1.00 2.12 N ATOM 1112 CA GLY A 71 -5.116 12.867 -33.379 1.00 45.12 C ATOM 1113 C GLY A 71 -5.888 11.776 -34.096 1.00 50.43 C ATOM 1114 O GLY A 71 -6.322 11.959 -35.233 1.00 55.42 O ATOM 0 H GLY A 71 -5.849 14.619 -34.265 1.00 2.12 H new ATOM 0 HA2 GLY A 71 -4.122 12.498 -33.126 1.00 45.12 H new ATOM 0 HA3 GLY A 71 -5.616 13.105 -32.440 1.00 45.12 H new ATOM 1118 N SER A 72 -6.057 10.639 -33.429 1.00 65.20 N ATOM 1119 CA SER A 72 -6.777 9.512 -34.012 1.00 63.31 C ATOM 1120 C SER A 72 -7.897 9.046 -33.087 1.00 41.31 C ATOM 1121 O SER A 72 -8.168 9.670 -32.061 1.00 31.33 O ATOM 1122 CB SER A 72 -5.816 8.355 -34.290 1.00 3.45 C ATOM 1123 OG SER A 72 -5.441 7.704 -33.090 1.00 13.15 O ATOM 0 H SER A 72 -5.706 10.473 -32.486 1.00 65.20 H new ATOM 0 HA SER A 72 -7.219 9.842 -34.952 1.00 63.31 H new ATOM 0 HB2 SER A 72 -6.288 7.640 -34.963 1.00 3.45 H new ATOM 0 HB3 SER A 72 -4.927 8.730 -34.797 1.00 3.45 H new ATOM 0 HG SER A 72 -4.828 6.967 -33.295 1.00 13.15 H new ATOM 1129 N GLU A 73 -8.544 7.946 -33.460 1.00 54.31 N ATOM 1130 CA GLU A 73 -9.637 7.398 -32.664 1.00 1.24 C ATOM 1131 C GLU A 73 -9.178 7.110 -31.237 1.00 74.14 C ATOM 1132 O GLU A 73 -9.944 7.264 -30.286 1.00 71.11 O ATOM 1133 CB GLU A 73 -10.172 6.117 -33.307 1.00 41.23 C ATOM 1134 CG GLU A 73 -11.413 5.566 -32.626 1.00 51.01 C ATOM 1135 CD GLU A 73 -12.665 6.350 -32.972 1.00 33.24 C ATOM 1136 OE1 GLU A 73 -12.786 6.793 -34.132 1.00 23.12 O1- ATOM 1137 OE2 GLU A 73 -13.524 6.518 -32.081 1.00 52.30 O ATOM 0 H GLU A 73 -8.331 7.418 -34.306 1.00 54.31 H new ATOM 0 HA GLU A 73 -10.435 8.139 -32.629 1.00 1.24 H new ATOM 0 HB2 GLU A 73 -10.400 6.314 -34.354 1.00 41.23 H new ATOM 0 HB3 GLU A 73 -9.390 5.358 -33.289 1.00 41.23 H new ATOM 0 HG2 GLU A 73 -11.550 4.524 -32.916 1.00 51.01 H new ATOM 0 HG3 GLU A 73 -11.267 5.580 -31.546 1.00 51.01 H new ATOM 1144 N GLU A 74 -7.925 6.691 -31.097 1.00 20.33 N ATOM 1145 CA GLU A 74 -7.366 6.379 -29.786 1.00 43.11 C ATOM 1146 C GLU A 74 -7.208 7.645 -28.949 1.00 2.55 C ATOM 1147 O GLU A 74 -7.504 7.653 -27.753 1.00 21.34 O ATOM 1148 CB GLU A 74 -6.013 5.682 -29.937 1.00 5.53 C ATOM 1149 CG GLU A 74 -6.123 4.208 -30.290 1.00 74.32 C ATOM 1150 CD GLU A 74 -4.828 3.453 -30.055 1.00 74.13 C ATOM 1151 OE1 GLU A 74 -3.776 3.919 -30.538 1.00 64.13 O ATOM 1152 OE2 GLU A 74 -4.869 2.398 -29.390 1.00 32.20 O1- ATOM 0 H GLU A 74 -7.278 6.560 -31.874 1.00 20.33 H new ATOM 0 HA GLU A 74 -8.056 5.708 -29.274 1.00 43.11 H new ATOM 0 HB2 GLU A 74 -5.437 6.190 -30.710 1.00 5.53 H new ATOM 0 HB3 GLU A 74 -5.456 5.783 -29.006 1.00 5.53 H new ATOM 0 HG2 GLU A 74 -6.917 3.754 -29.696 1.00 74.32 H new ATOM 0 HG3 GLU A 74 -6.412 4.109 -31.336 1.00 74.32 H new ATOM 1159 N LEU A 75 -6.738 8.713 -29.584 1.00 52.23 N ATOM 1160 CA LEU A 75 -6.539 9.985 -28.898 1.00 42.34 C ATOM 1161 C LEU A 75 -7.873 10.587 -28.470 1.00 71.42 C ATOM 1162 O LEU A 75 -8.048 10.978 -27.315 1.00 64.12 O ATOM 1163 CB LEU A 75 -5.792 10.965 -29.804 1.00 31.42 C ATOM 1164 CG LEU A 75 -5.049 12.099 -29.099 1.00 41.01 C ATOM 1165 CD1 LEU A 75 -3.742 12.407 -29.812 1.00 31.14 C ATOM 1166 CD2 LEU A 75 -5.922 13.344 -29.023 1.00 31.32 C ATOM 0 H LEU A 75 -6.488 8.724 -30.573 1.00 52.23 H new ATOM 0 HA LEU A 75 -5.942 9.798 -28.005 1.00 42.34 H new ATOM 0 HB2 LEU A 75 -5.073 10.402 -30.400 1.00 31.42 H new ATOM 0 HB3 LEU A 75 -6.508 11.404 -30.499 1.00 31.42 H new ATOM 0 HG LEU A 75 -4.818 11.778 -28.083 1.00 41.01 H new ATOM 0 HD11 LEU A 75 -3.228 13.217 -29.295 1.00 31.14 H new ATOM 0 HD12 LEU A 75 -3.110 11.519 -29.814 1.00 31.14 H new ATOM 0 HD13 LEU A 75 -3.950 12.706 -30.839 1.00 31.14 H new ATOM 0 HD21 LEU A 75 -5.376 14.141 -28.518 1.00 31.32 H new ATOM 0 HD22 LEU A 75 -6.185 13.666 -30.031 1.00 31.32 H new ATOM 0 HD23 LEU A 75 -6.831 13.117 -28.466 1.00 31.32 H new ATOM 1178 N ARG A 76 -8.813 10.657 -29.407 1.00 70.33 N ATOM 1179 CA ARG A 76 -10.133 11.210 -29.127 1.00 51.14 C ATOM 1180 C ARG A 76 -10.752 10.544 -27.902 1.00 34.11 C ATOM 1181 O ARG A 76 -11.226 11.220 -26.988 1.00 60.42 O ATOM 1182 CB ARG A 76 -11.052 11.032 -30.337 1.00 53.42 C ATOM 1183 CG ARG A 76 -11.806 12.295 -30.719 1.00 61.13 C ATOM 1184 CD ARG A 76 -12.380 12.197 -32.125 1.00 12.34 C ATOM 1185 NE ARG A 76 -13.688 11.550 -32.138 1.00 34.43 N ATOM 1186 CZ ARG A 76 -14.472 11.497 -33.209 1.00 71.34 C ATOM 1187 NH1 ARG A 76 -14.081 12.052 -34.349 1.00 14.41 N1+ ATOM 1188 NH2 ARG A 76 -15.650 10.890 -33.142 1.00 31.31 N ATOM 0 H ARG A 76 -8.685 10.338 -30.367 1.00 70.33 H new ATOM 0 HA ARG A 76 -10.017 12.274 -28.922 1.00 51.14 H new ATOM 0 HB2 ARG A 76 -10.457 10.702 -31.189 1.00 53.42 H new ATOM 0 HB3 ARG A 76 -11.770 10.240 -30.124 1.00 53.42 H new ATOM 0 HG2 ARG A 76 -12.613 12.468 -30.007 1.00 61.13 H new ATOM 0 HG3 ARG A 76 -11.136 13.153 -30.657 1.00 61.13 H new ATOM 0 HD2 ARG A 76 -12.466 13.196 -32.552 1.00 12.34 H new ATOM 0 HD3 ARG A 76 -11.692 11.637 -32.759 1.00 12.34 H new ATOM 0 HE ARG A 76 -14.019 11.114 -31.277 1.00 34.43 H new ATOM 0 HH11 ARG A 76 -13.177 12.521 -34.404 1.00 14.41 H new ATOM 0 HH12 ARG A 76 -14.685 12.010 -35.170 1.00 14.41 H new ATOM 0 HH21 ARG A 76 -15.955 10.463 -32.267 1.00 31.31 H new ATOM 0 HH22 ARG A 76 -16.251 10.850 -33.965 1.00 31.31 H new ATOM 1202 N SER A 77 -10.745 9.215 -27.889 1.00 43.11 N ATOM 1203 CA SER A 77 -11.310 8.458 -26.780 1.00 34.43 C ATOM 1204 C SER A 77 -10.736 8.933 -25.449 1.00 2.33 C ATOM 1205 O SER A 77 -11.466 9.126 -24.476 1.00 43.14 O ATOM 1206 CB SER A 77 -11.037 6.964 -26.962 1.00 3.44 C ATOM 1207 OG SER A 77 -11.968 6.380 -27.856 1.00 11.33 O ATOM 0 H SER A 77 -10.354 8.640 -28.635 1.00 43.11 H new ATOM 0 HA SER A 77 -12.387 8.624 -26.771 1.00 34.43 H new ATOM 0 HB2 SER A 77 -10.025 6.820 -27.341 1.00 3.44 H new ATOM 0 HB3 SER A 77 -11.091 6.461 -25.996 1.00 3.44 H new ATOM 0 HG SER A 77 -11.771 5.425 -27.956 1.00 11.33 H new ATOM 1213 N LEU A 78 -9.420 9.119 -25.413 1.00 52.34 N ATOM 1214 CA LEU A 78 -8.745 9.573 -24.202 1.00 24.25 C ATOM 1215 C LEU A 78 -9.288 10.924 -23.749 1.00 11.34 C ATOM 1216 O LEU A 78 -9.762 11.067 -22.621 1.00 73.44 O ATOM 1217 CB LEU A 78 -7.237 9.671 -24.442 1.00 64.22 C ATOM 1218 CG LEU A 78 -6.388 8.544 -23.852 1.00 72.12 C ATOM 1219 CD1 LEU A 78 -6.597 8.450 -22.349 1.00 0.21 C ATOM 1220 CD2 LEU A 78 -6.722 7.219 -24.523 1.00 2.40 C ATOM 0 H LEU A 78 -8.800 8.962 -26.208 1.00 52.34 H new ATOM 0 HA LEU A 78 -8.935 8.844 -23.415 1.00 24.25 H new ATOM 0 HB2 LEU A 78 -7.062 9.706 -25.517 1.00 64.22 H new ATOM 0 HB3 LEU A 78 -6.885 10.617 -24.031 1.00 64.22 H new ATOM 0 HG LEU A 78 -5.338 8.769 -24.039 1.00 72.12 H new ATOM 0 HD11 LEU A 78 -5.985 7.643 -21.946 1.00 0.21 H new ATOM 0 HD12 LEU A 78 -6.309 9.392 -21.882 1.00 0.21 H new ATOM 0 HD13 LEU A 78 -7.647 8.248 -22.140 1.00 0.21 H new ATOM 0 HD21 LEU A 78 -6.109 6.428 -24.091 1.00 2.40 H new ATOM 0 HD22 LEU A 78 -7.776 6.988 -24.367 1.00 2.40 H new ATOM 0 HD23 LEU A 78 -6.521 7.292 -25.592 1.00 2.40 H new ATOM 1232 N TYR A 79 -9.216 11.912 -24.634 1.00 71.23 N ATOM 1233 CA TYR A 79 -9.701 13.252 -24.325 1.00 33.14 C ATOM 1234 C TYR A 79 -11.134 13.206 -23.802 1.00 71.12 C ATOM 1235 O TYR A 79 -11.535 14.034 -22.984 1.00 30.24 O ATOM 1236 CB TYR A 79 -9.628 14.142 -25.566 1.00 40.45 C ATOM 1237 CG TYR A 79 -9.590 15.620 -25.249 1.00 41.20 C ATOM 1238 CD1 TYR A 79 -8.480 16.191 -24.635 1.00 32.51 C ATOM 1239 CD2 TYR A 79 -10.662 16.447 -25.562 1.00 13.33 C ATOM 1240 CE1 TYR A 79 -8.441 17.541 -24.343 1.00 32.32 C ATOM 1241 CE2 TYR A 79 -10.630 17.797 -25.275 1.00 73.24 C ATOM 1242 CZ TYR A 79 -9.518 18.340 -24.665 1.00 72.44 C ATOM 1243 OH TYR A 79 -9.484 19.684 -24.377 1.00 55.22 O ATOM 0 H TYR A 79 -8.826 11.810 -25.571 1.00 71.23 H new ATOM 0 HA TYR A 79 -9.063 13.671 -23.547 1.00 33.14 H new ATOM 0 HB2 TYR A 79 -8.739 13.879 -26.140 1.00 40.45 H new ATOM 0 HB3 TYR A 79 -10.490 13.937 -26.201 1.00 40.45 H new ATOM 0 HD1 TYR A 79 -7.634 15.569 -24.382 1.00 32.51 H new ATOM 0 HD2 TYR A 79 -11.535 16.026 -26.038 1.00 13.33 H new ATOM 0 HE1 TYR A 79 -7.572 17.968 -23.865 1.00 32.32 H new ATOM 0 HE2 TYR A 79 -11.472 18.425 -25.527 1.00 73.24 H new ATOM 0 HH TYR A 79 -9.264 20.187 -25.189 1.00 55.22 H new ATOM 1253 N ASN A 80 -11.901 12.231 -24.281 1.00 43.34 N ATOM 1254 CA ASN A 80 -13.289 12.076 -23.863 1.00 72.42 C ATOM 1255 C ASN A 80 -13.373 11.656 -22.399 1.00 33.23 C ATOM 1256 O ASN A 80 -14.007 12.325 -21.584 1.00 53.35 O ATOM 1257 CB ASN A 80 -13.996 11.044 -24.743 1.00 31.35 C ATOM 1258 CG ASN A 80 -14.897 11.687 -25.780 1.00 10.32 C ATOM 1259 OD1 ASN A 80 -14.474 12.576 -26.519 1.00 22.43 O ATOM 1260 ND2 ASN A 80 -16.145 11.239 -25.838 1.00 30.42 N ATOM 0 H ASN A 80 -11.584 11.537 -24.958 1.00 43.34 H new ATOM 0 HA ASN A 80 -13.786 13.040 -23.975 1.00 72.42 H new ATOM 0 HB2 ASN A 80 -13.251 10.428 -25.246 1.00 31.35 H new ATOM 0 HB3 ASN A 80 -14.588 10.379 -24.114 1.00 31.35 H new ATOM 0 HD21 ASN A 80 -16.798 11.634 -26.515 1.00 30.42 H new ATOM 0 HD22 ASN A 80 -16.452 10.500 -25.205 1.00 30.42 H new ATOM 1267 N THR A 81 -12.727 10.541 -22.071 1.00 25.43 N ATOM 1268 CA THR A 81 -12.728 10.030 -20.706 1.00 30.45 C ATOM 1269 C THR A 81 -12.035 10.999 -19.755 1.00 61.40 C ATOM 1270 O THR A 81 -12.600 11.392 -18.735 1.00 24.21 O ATOM 1271 CB THR A 81 -12.033 8.657 -20.620 1.00 71.11 C ATOM 1272 OG1 THR A 81 -12.607 7.757 -21.574 1.00 11.13 O ATOM 1273 CG2 THR A 81 -12.162 8.072 -19.221 1.00 50.44 C ATOM 0 H THR A 81 -12.196 9.975 -22.733 1.00 25.43 H new ATOM 0 HA THR A 81 -13.771 9.920 -20.410 1.00 30.45 H new ATOM 0 HB THR A 81 -10.975 8.795 -20.843 1.00 71.11 H new ATOM 0 HG1 THR A 81 -12.159 6.888 -21.514 1.00 11.13 H new ATOM 0 HG21 THR A 81 -11.664 7.103 -19.184 1.00 50.44 H new ATOM 0 HG22 THR A 81 -11.698 8.746 -18.501 1.00 50.44 H new ATOM 0 HG23 THR A 81 -13.216 7.948 -18.974 1.00 50.44 H new ATOM 1281 N ILE A 82 -10.808 11.380 -20.097 1.00 71.23 N ATOM 1282 CA ILE A 82 -10.040 12.305 -19.274 1.00 50.21 C ATOM 1283 C ILE A 82 -10.842 13.565 -18.967 1.00 1.35 C ATOM 1284 O ILE A 82 -10.729 14.135 -17.882 1.00 60.44 O ATOM 1285 CB ILE A 82 -8.720 12.705 -19.960 1.00 41.11 C ATOM 1286 CG1 ILE A 82 -7.875 11.463 -20.252 1.00 22.34 C ATOM 1287 CG2 ILE A 82 -7.947 13.685 -19.090 1.00 34.41 C ATOM 1288 CD1 ILE A 82 -6.794 11.696 -21.285 1.00 55.41 C ATOM 0 H ILE A 82 -10.326 11.062 -20.938 1.00 71.23 H new ATOM 0 HA ILE A 82 -9.814 11.786 -18.343 1.00 50.21 H new ATOM 0 HB ILE A 82 -8.953 13.194 -20.906 1.00 41.11 H new ATOM 0 HG12 ILE A 82 -7.413 11.122 -19.325 1.00 22.34 H new ATOM 0 HG13 ILE A 82 -8.529 10.662 -20.596 1.00 22.34 H new ATOM 0 HG21 ILE A 82 -7.017 13.958 -19.588 1.00 34.41 H new ATOM 0 HG22 ILE A 82 -8.548 14.580 -18.927 1.00 34.41 H new ATOM 0 HG23 ILE A 82 -7.722 13.220 -18.130 1.00 34.41 H new ATOM 0 HD11 ILE A 82 -6.235 10.773 -21.441 1.00 55.41 H new ATOM 0 HD12 ILE A 82 -7.250 12.008 -22.225 1.00 55.41 H new ATOM 0 HD13 ILE A 82 -6.117 12.475 -20.934 1.00 55.41 H new ATOM 1300 N ALA A 83 -11.653 13.993 -19.930 1.00 13.45 N ATOM 1301 CA ALA A 83 -12.477 15.182 -19.760 1.00 60.11 C ATOM 1302 C ALA A 83 -13.504 14.986 -18.650 1.00 64.03 C ATOM 1303 O ALA A 83 -13.476 15.680 -17.635 1.00 12.33 O ATOM 1304 CB ALA A 83 -13.171 15.533 -21.068 1.00 63.43 C ATOM 0 H ALA A 83 -11.756 13.534 -20.835 1.00 13.45 H new ATOM 0 HA ALA A 83 -11.825 16.007 -19.473 1.00 60.11 H new ATOM 0 HB1 ALA A 83 -13.784 16.423 -20.927 1.00 63.43 H new ATOM 0 HB2 ALA A 83 -12.423 15.725 -21.837 1.00 63.43 H new ATOM 0 HB3 ALA A 83 -13.805 14.702 -21.378 1.00 63.43 H new ATOM 1310 N VAL A 84 -14.412 14.036 -18.852 1.00 20.10 N ATOM 1311 CA VAL A 84 -15.448 13.748 -17.867 1.00 23.21 C ATOM 1312 C VAL A 84 -14.843 13.490 -16.492 1.00 74.25 C ATOM 1313 O VAL A 84 -15.405 13.889 -15.470 1.00 20.34 O ATOM 1314 CB VAL A 84 -16.292 12.528 -18.281 1.00 24.13 C ATOM 1315 CG1 VAL A 84 -17.367 12.245 -17.243 1.00 31.03 C ATOM 1316 CG2 VAL A 84 -16.910 12.748 -19.653 1.00 3.01 C ATOM 0 H VAL A 84 -14.451 13.453 -19.688 1.00 20.10 H new ATOM 0 HA VAL A 84 -16.091 14.627 -17.819 1.00 23.21 H new ATOM 0 HB VAL A 84 -15.637 11.658 -18.338 1.00 24.13 H new ATOM 0 HG11 VAL A 84 -17.953 11.380 -17.553 1.00 31.03 H new ATOM 0 HG12 VAL A 84 -16.898 12.040 -16.280 1.00 31.03 H new ATOM 0 HG13 VAL A 84 -18.021 13.112 -17.151 1.00 31.03 H new ATOM 0 HG21 VAL A 84 -17.503 11.876 -19.929 1.00 3.01 H new ATOM 0 HG22 VAL A 84 -17.551 13.629 -19.626 1.00 3.01 H new ATOM 0 HG23 VAL A 84 -16.119 12.897 -20.388 1.00 3.01 H new ATOM 1326 N LEU A 85 -13.695 12.824 -16.472 1.00 1.13 N ATOM 1327 CA LEU A 85 -13.011 12.514 -15.222 1.00 14.12 C ATOM 1328 C LEU A 85 -12.565 13.789 -14.513 1.00 71.25 C ATOM 1329 O LEU A 85 -12.932 14.033 -13.363 1.00 51.13 O ATOM 1330 CB LEU A 85 -11.802 11.616 -15.487 1.00 35.30 C ATOM 1331 CG LEU A 85 -11.643 10.413 -14.557 1.00 0.25 C ATOM 1332 CD1 LEU A 85 -12.283 9.176 -15.168 1.00 54.32 C ATOM 1333 CD2 LEU A 85 -10.171 10.161 -14.257 1.00 65.12 C ATOM 0 H LEU A 85 -13.217 12.488 -17.308 1.00 1.13 H new ATOM 0 HA LEU A 85 -13.713 11.987 -14.575 1.00 14.12 H new ATOM 0 HB2 LEU A 85 -11.863 11.252 -16.512 1.00 35.30 H new ATOM 0 HB3 LEU A 85 -10.900 12.225 -15.418 1.00 35.30 H new ATOM 0 HG LEU A 85 -12.152 10.634 -13.619 1.00 0.25 H new ATOM 0 HD11 LEU A 85 -12.159 8.330 -14.491 1.00 54.32 H new ATOM 0 HD12 LEU A 85 -13.345 9.359 -15.330 1.00 54.32 H new ATOM 0 HD13 LEU A 85 -11.804 8.951 -16.121 1.00 54.32 H new ATOM 0 HD21 LEU A 85 -10.077 9.301 -13.594 1.00 65.12 H new ATOM 0 HD22 LEU A 85 -9.639 9.962 -15.187 1.00 65.12 H new ATOM 0 HD23 LEU A 85 -9.742 11.040 -13.775 1.00 65.12 H new ATOM 1345 N TYR A 86 -11.776 14.600 -15.208 1.00 42.32 N ATOM 1346 CA TYR A 86 -11.280 15.851 -14.646 1.00 34.14 C ATOM 1347 C TYR A 86 -12.426 16.690 -14.089 1.00 41.21 C ATOM 1348 O TYR A 86 -12.314 17.278 -13.013 1.00 32.02 O ATOM 1349 CB TYR A 86 -10.520 16.646 -15.707 1.00 64.22 C ATOM 1350 CG TYR A 86 -10.148 18.044 -15.267 1.00 24.11 C ATOM 1351 CD1 TYR A 86 -11.008 19.113 -15.486 1.00 51.43 C ATOM 1352 CD2 TYR A 86 -8.938 18.295 -14.634 1.00 2.03 C ATOM 1353 CE1 TYR A 86 -10.672 20.393 -15.087 1.00 12.33 C ATOM 1354 CE2 TYR A 86 -8.595 19.571 -14.229 1.00 31.15 C ATOM 1355 CZ TYR A 86 -9.465 20.616 -14.457 1.00 63.50 C ATOM 1356 OH TYR A 86 -9.126 21.888 -14.057 1.00 22.40 O ATOM 0 H TYR A 86 -11.466 14.414 -16.162 1.00 42.32 H new ATOM 0 HA TYR A 86 -10.601 15.608 -13.829 1.00 34.14 H new ATOM 0 HB2 TYR A 86 -9.612 16.105 -15.973 1.00 64.22 H new ATOM 0 HB3 TYR A 86 -11.130 16.708 -16.608 1.00 64.22 H new ATOM 0 HD1 TYR A 86 -11.955 18.941 -15.976 1.00 51.43 H new ATOM 0 HD2 TYR A 86 -8.253 17.479 -14.455 1.00 2.03 H new ATOM 0 HE1 TYR A 86 -11.350 21.214 -15.267 1.00 12.33 H new ATOM 0 HE2 TYR A 86 -7.650 19.749 -13.736 1.00 31.15 H new ATOM 0 HH TYR A 86 -8.245 21.872 -13.629 1.00 22.40 H new ATOM 1366 N CYS A 87 -13.527 16.740 -14.829 1.00 62.52 N ATOM 1367 CA CYS A 87 -14.696 17.507 -14.412 1.00 21.02 C ATOM 1368 C CYS A 87 -15.226 17.004 -13.073 1.00 64.44 C ATOM 1369 O CYS A 87 -15.380 17.775 -12.126 1.00 4.33 O ATOM 1370 CB CYS A 87 -15.793 17.422 -15.474 1.00 53.32 C ATOM 1371 SG CYS A 87 -15.729 18.742 -16.708 1.00 31.21 S ATOM 0 H CYS A 87 -13.636 16.258 -15.722 1.00 62.52 H new ATOM 0 HA CYS A 87 -14.395 18.548 -14.295 1.00 21.02 H new ATOM 0 HB2 CYS A 87 -15.718 16.460 -15.982 1.00 53.32 H new ATOM 0 HB3 CYS A 87 -16.765 17.447 -14.980 1.00 53.32 H new ATOM 0 HG CYS A 87 -14.821 18.463 -17.596 1.00 31.21 H new ATOM 1377 N VAL A 88 -15.506 15.706 -13.004 1.00 4.21 N ATOM 1378 CA VAL A 88 -16.020 15.100 -11.782 1.00 73.44 C ATOM 1379 C VAL A 88 -15.047 15.288 -10.623 1.00 61.21 C ATOM 1380 O VAL A 88 -15.458 15.508 -9.483 1.00 24.00 O ATOM 1381 CB VAL A 88 -16.290 13.596 -11.972 1.00 12.55 C ATOM 1382 CG1 VAL A 88 -16.796 12.976 -10.678 1.00 62.33 C ATOM 1383 CG2 VAL A 88 -17.281 13.371 -13.104 1.00 42.32 C ATOM 0 H VAL A 88 -15.385 15.055 -13.780 1.00 4.21 H new ATOM 0 HA VAL A 88 -16.958 15.604 -11.550 1.00 73.44 H new ATOM 0 HB VAL A 88 -15.353 13.108 -12.238 1.00 12.55 H new ATOM 0 HG11 VAL A 88 -16.981 11.913 -10.832 1.00 62.33 H new ATOM 0 HG12 VAL A 88 -16.048 13.104 -9.896 1.00 62.33 H new ATOM 0 HG13 VAL A 88 -17.722 13.466 -10.378 1.00 62.33 H new ATOM 0 HG21 VAL A 88 -17.460 12.302 -13.224 1.00 42.32 H new ATOM 0 HG22 VAL A 88 -18.220 13.872 -12.870 1.00 42.32 H new ATOM 0 HG23 VAL A 88 -16.874 13.777 -14.030 1.00 42.32 H new ATOM 1393 N HIS A 89 -13.755 15.201 -10.923 1.00 1.21 N ATOM 1394 CA HIS A 89 -12.721 15.363 -9.906 1.00 51.22 C ATOM 1395 C HIS A 89 -12.709 16.791 -9.368 1.00 64.01 C ATOM 1396 O HIS A 89 -12.474 16.941 -8.170 1.00 54.41 O ATOM 1397 CB HIS A 89 -11.349 15.011 -10.483 1.00 43.31 C ATOM 1398 CG HIS A 89 -11.113 13.538 -10.611 1.00 34.13 C ATOM 1399 ND1 HIS A 89 -11.834 12.597 -9.907 1.00 13.33 N ATOM 1400 CD2 HIS A 89 -10.231 12.844 -11.367 1.00 44.51 C ATOM 1401 CE1 HIS A 89 -11.404 11.388 -10.224 1.00 14.00 C ATOM 1402 NE2 HIS A 89 -10.431 11.512 -11.109 1.00 32.40 N ATOM 0 H HIS A 89 -13.399 15.019 -11.861 1.00 1.21 H new ATOM 0 HA HIS A 89 -12.945 14.685 -9.083 1.00 51.22 H new ATOM 0 HB2 HIS A 89 -11.247 15.474 -11.465 1.00 43.31 H new ATOM 0 HB3 HIS A 89 -10.575 15.441 -9.847 1.00 43.31 H new ATOM 0 HD1 HIS A 89 -12.582 12.802 -9.245 1.00 13.33 H new ATOM 0 HD2 HIS A 89 -9.504 13.262 -12.048 1.00 44.51 H new ATOM 0 HE1 HIS A 89 -11.783 10.458 -9.827 1.00 14.00 H new ATOM 0 HE2 HIS A 89 -9.913 10.742 -11.532 1.00 32.40 H new ATOM 1411 N GLN A 90 -12.945 17.807 -10.193 1.00 32.44 N ATOM 1412 CA GLN A 90 -12.943 19.187 -9.723 1.00 61.21 C ATOM 1413 C GLN A 90 -14.246 19.520 -9.003 1.00 63.12 C ATOM 1414 O GLN A 90 -14.278 19.629 -7.778 1.00 31.11 O ATOM 1415 CB GLN A 90 -12.735 20.146 -10.897 1.00 40.30 C ATOM 1416 CG GLN A 90 -11.305 20.644 -11.031 1.00 13.30 C ATOM 1417 CD GLN A 90 -10.808 21.335 -9.776 1.00 64.24 C ATOM 1418 OE1 GLN A 90 -11.394 22.318 -9.321 1.00 25.11 O ATOM 1419 NE2 GLN A 90 -9.721 20.824 -9.209 1.00 63.32 N ATOM 0 H GLN A 90 -13.140 17.700 -11.189 1.00 32.44 H new ATOM 0 HA GLN A 90 -12.121 19.303 -9.017 1.00 61.21 H new ATOM 0 HB2 GLN A 90 -13.024 19.644 -11.821 1.00 40.30 H new ATOM 0 HB3 GLN A 90 -13.399 21.002 -10.778 1.00 40.30 H new ATOM 0 HG2 GLN A 90 -10.651 19.803 -11.261 1.00 13.30 H new ATOM 0 HG3 GLN A 90 -11.242 21.336 -11.871 1.00 13.30 H new ATOM 0 HE21 GLN A 90 -9.267 20.008 -9.620 1.00 63.32 H new ATOM 0 HE22 GLN A 90 -9.340 21.247 -8.363 1.00 63.32 H new ATOM 1428 N ARG A 91 -15.317 19.681 -9.773 1.00 62.22 N ATOM 1429 CA ARG A 91 -16.621 20.003 -9.209 1.00 74.41 C ATOM 1430 C ARG A 91 -17.676 20.114 -10.307 1.00 15.53 C ATOM 1431 O ARG A 91 -18.598 20.926 -10.215 1.00 12.23 O ATOM 1432 CB ARG A 91 -16.552 21.312 -8.420 1.00 4.35 C ATOM 1433 CG ARG A 91 -17.275 21.258 -7.085 1.00 14.14 C ATOM 1434 CD ARG A 91 -16.433 21.857 -5.969 1.00 25.35 C ATOM 1435 NE ARG A 91 -15.621 20.847 -5.295 1.00 54.23 N ATOM 1436 CZ ARG A 91 -15.068 21.027 -4.100 1.00 72.33 C ATOM 1437 NH1 ARG A 91 -15.240 22.171 -3.452 1.00 21.43 N1+ ATOM 1438 NH2 ARG A 91 -14.343 20.061 -3.551 1.00 62.52 N ATOM 0 H ARG A 91 -15.307 19.594 -10.789 1.00 62.22 H new ATOM 0 HA ARG A 91 -16.906 19.195 -8.535 1.00 74.41 H new ATOM 0 HB2 ARG A 91 -15.507 21.567 -8.247 1.00 4.35 H new ATOM 0 HB3 ARG A 91 -16.980 22.113 -9.023 1.00 4.35 H new ATOM 0 HG2 ARG A 91 -18.219 21.798 -7.159 1.00 14.14 H new ATOM 0 HG3 ARG A 91 -17.518 20.223 -6.843 1.00 14.14 H new ATOM 0 HD2 ARG A 91 -15.783 22.630 -6.380 1.00 25.35 H new ATOM 0 HD3 ARG A 91 -17.085 22.342 -5.243 1.00 25.35 H new ATOM 0 HE ARG A 91 -15.470 19.955 -5.767 1.00 54.23 H new ATOM 0 HH11 ARG A 91 -15.798 22.915 -3.871 1.00 21.43 H new ATOM 0 HH12 ARG A 91 -14.815 22.307 -2.535 1.00 21.43 H new ATOM 0 HH21 ARG A 91 -14.210 19.179 -4.046 1.00 62.52 H new ATOM 0 HH22 ARG A 91 -13.919 20.200 -2.634 1.00 62.52 H new ATOM 1452 N ILE A 92 -17.533 19.295 -11.343 1.00 40.43 N ATOM 1453 CA ILE A 92 -18.473 19.302 -12.457 1.00 52.10 C ATOM 1454 C ILE A 92 -19.017 17.903 -12.725 1.00 71.33 C ATOM 1455 O ILE A 92 -18.256 16.944 -12.859 1.00 44.31 O ATOM 1456 CB ILE A 92 -17.819 19.841 -13.742 1.00 40.22 C ATOM 1457 CG1 ILE A 92 -17.292 21.260 -13.515 1.00 25.43 C ATOM 1458 CG2 ILE A 92 -18.813 19.818 -14.893 1.00 34.54 C ATOM 1459 CD1 ILE A 92 -15.808 21.314 -13.226 1.00 54.34 C ATOM 0 H ILE A 92 -16.775 18.618 -11.434 1.00 40.43 H new ATOM 0 HA ILE A 92 -19.294 19.961 -12.173 1.00 52.10 H new ATOM 0 HB ILE A 92 -16.978 19.198 -14.001 1.00 40.22 H new ATOM 0 HG12 ILE A 92 -17.504 21.863 -14.398 1.00 25.43 H new ATOM 0 HG13 ILE A 92 -17.833 21.711 -12.683 1.00 25.43 H new ATOM 0 HG21 ILE A 92 -18.335 20.202 -15.794 1.00 34.54 H new ATOM 0 HG22 ILE A 92 -19.145 18.794 -15.067 1.00 34.54 H new ATOM 0 HG23 ILE A 92 -19.672 20.441 -14.644 1.00 34.54 H new ATOM 0 HD11 ILE A 92 -15.504 22.350 -13.076 1.00 54.34 H new ATOM 0 HD12 ILE A 92 -15.591 20.738 -12.326 1.00 54.34 H new ATOM 0 HD13 ILE A 92 -15.258 20.893 -14.068 1.00 54.34 H new ATOM 1471 N ASP A 93 -20.339 17.793 -12.804 1.00 3.33 N ATOM 1472 CA ASP A 93 -20.986 16.511 -13.060 1.00 52.53 C ATOM 1473 C ASP A 93 -21.859 16.583 -14.310 1.00 11.51 C ATOM 1474 O ASP A 93 -23.059 16.318 -14.256 1.00 53.12 O ATOM 1475 CB ASP A 93 -21.831 16.093 -11.856 1.00 14.34 C ATOM 1476 CG ASP A 93 -22.863 17.138 -11.481 1.00 23.11 C ATOM 1477 OD1 ASP A 93 -22.472 18.181 -10.918 1.00 42.34 O1- ATOM 1478 OD2 ASP A 93 -24.061 16.913 -11.751 1.00 22.32 O ATOM 0 H ASP A 93 -20.983 18.576 -12.694 1.00 3.33 H new ATOM 0 HA ASP A 93 -20.208 15.765 -13.224 1.00 52.53 H new ATOM 0 HB2 ASP A 93 -22.335 15.153 -12.079 1.00 14.34 H new ATOM 0 HB3 ASP A 93 -21.177 15.910 -11.003 1.00 14.34 H new ATOM 1483 N VAL A 94 -21.246 16.943 -15.433 1.00 40.10 N ATOM 1484 CA VAL A 94 -21.967 17.050 -16.696 1.00 0.34 C ATOM 1485 C VAL A 94 -22.756 15.779 -16.987 1.00 31.31 C ATOM 1486 O VAL A 94 -22.517 14.732 -16.382 1.00 42.34 O ATOM 1487 CB VAL A 94 -21.007 17.324 -17.868 1.00 42.21 C ATOM 1488 CG1 VAL A 94 -20.206 18.593 -17.617 1.00 14.23 C ATOM 1489 CG2 VAL A 94 -20.083 16.135 -18.090 1.00 42.15 C ATOM 0 H VAL A 94 -20.252 17.165 -15.494 1.00 40.10 H new ATOM 0 HA VAL A 94 -22.657 17.888 -16.597 1.00 0.34 H new ATOM 0 HB VAL A 94 -21.598 17.469 -18.772 1.00 42.21 H new ATOM 0 HG11 VAL A 94 -19.533 18.770 -18.456 1.00 14.23 H new ATOM 0 HG12 VAL A 94 -20.886 19.438 -17.513 1.00 14.23 H new ATOM 0 HG13 VAL A 94 -19.624 18.481 -16.702 1.00 14.23 H new ATOM 0 HG21 VAL A 94 -19.412 16.346 -18.922 1.00 42.15 H new ATOM 0 HG22 VAL A 94 -19.498 15.956 -17.188 1.00 42.15 H new ATOM 0 HG23 VAL A 94 -20.677 15.250 -18.319 1.00 42.15 H new ATOM 1499 N LYS A 95 -23.699 15.874 -17.918 1.00 73.32 N ATOM 1500 CA LYS A 95 -24.525 14.732 -18.292 1.00 45.34 C ATOM 1501 C LYS A 95 -23.859 13.919 -19.399 1.00 74.22 C ATOM 1502 O LYS A 95 -24.102 12.720 -19.533 1.00 74.24 O ATOM 1503 CB LYS A 95 -25.906 15.204 -18.751 1.00 63.22 C ATOM 1504 CG LYS A 95 -26.856 15.511 -17.607 1.00 61.11 C ATOM 1505 CD LYS A 95 -27.828 16.620 -17.971 1.00 61.31 C ATOM 1506 CE LYS A 95 -28.126 17.514 -16.777 1.00 44.41 C ATOM 1507 NZ LYS A 95 -29.407 17.147 -16.114 1.00 71.43 N1+ ATOM 0 H LYS A 95 -23.911 16.732 -18.428 1.00 73.32 H new ATOM 0 HA LYS A 95 -24.639 14.094 -17.415 1.00 45.34 H new ATOM 0 HB2 LYS A 95 -25.790 16.097 -19.365 1.00 63.22 H new ATOM 0 HB3 LYS A 95 -26.350 14.437 -19.385 1.00 63.22 H new ATOM 0 HG2 LYS A 95 -27.412 14.611 -17.343 1.00 61.11 H new ATOM 0 HG3 LYS A 95 -26.284 15.802 -16.726 1.00 61.11 H new ATOM 0 HD2 LYS A 95 -27.411 17.219 -18.781 1.00 61.31 H new ATOM 0 HD3 LYS A 95 -28.756 16.185 -18.342 1.00 61.31 H new ATOM 0 HE2 LYS A 95 -27.311 17.441 -16.057 1.00 44.41 H new ATOM 0 HE3 LYS A 95 -28.171 18.553 -17.104 1.00 44.41 H new ATOM 0 HZ1 LYS A 95 -29.573 17.780 -15.306 1.00 71.43 H new ATOM 0 HZ2 LYS A 95 -30.189 17.241 -16.793 1.00 71.43 H new ATOM 0 HZ3 LYS A 95 -29.355 16.164 -15.779 1.00 71.43 H new ATOM 1521 N ASP A 96 -23.018 14.579 -20.187 1.00 70.13 N ATOM 1522 CA ASP A 96 -22.316 13.917 -21.280 1.00 71.11 C ATOM 1523 C ASP A 96 -20.902 14.471 -21.432 1.00 52.12 C ATOM 1524 O ASP A 96 -20.577 15.528 -20.891 1.00 3.54 O ATOM 1525 CB ASP A 96 -23.088 14.090 -22.589 1.00 22.13 C ATOM 1526 CG ASP A 96 -23.523 15.523 -22.821 1.00 11.23 C ATOM 1527 OD1 ASP A 96 -22.694 16.325 -23.299 1.00 65.41 O ATOM 1528 OD2 ASP A 96 -24.692 15.844 -22.523 1.00 34.45 O1- ATOM 0 H ASP A 96 -22.806 15.572 -20.089 1.00 70.13 H new ATOM 0 HA ASP A 96 -22.248 12.855 -21.045 1.00 71.11 H new ATOM 0 HB2 ASP A 96 -22.464 13.764 -23.421 1.00 22.13 H new ATOM 0 HB3 ASP A 96 -23.966 13.444 -22.577 1.00 22.13 H new ATOM 1533 N THR A 97 -20.066 13.748 -22.170 1.00 43.45 N ATOM 1534 CA THR A 97 -18.687 14.166 -22.391 1.00 21.43 C ATOM 1535 C THR A 97 -18.627 15.513 -23.101 1.00 3.32 C ATOM 1536 O THR A 97 -17.735 16.323 -22.846 1.00 10.20 O ATOM 1537 CB THR A 97 -17.912 13.125 -23.222 1.00 41.51 C ATOM 1538 OG1 THR A 97 -18.066 11.824 -22.646 1.00 11.40 O ATOM 1539 CG2 THR A 97 -16.435 13.483 -23.294 1.00 23.31 C ATOM 0 H THR A 97 -20.319 12.871 -22.625 1.00 43.45 H new ATOM 0 HA THR A 97 -18.223 14.256 -21.409 1.00 21.43 H new ATOM 0 HB THR A 97 -18.319 13.123 -24.233 1.00 41.51 H new ATOM 0 HG1 THR A 97 -18.293 11.180 -23.349 1.00 11.40 H new ATOM 0 HG21 THR A 97 -15.908 12.734 -23.885 1.00 23.31 H new ATOM 0 HG22 THR A 97 -16.320 14.461 -23.761 1.00 23.31 H new ATOM 0 HG23 THR A 97 -16.018 13.510 -22.287 1.00 23.31 H new ATOM 1547 N LYS A 98 -19.582 15.749 -23.995 1.00 14.40 N ATOM 1548 CA LYS A 98 -19.640 17.000 -24.741 1.00 75.44 C ATOM 1549 C LYS A 98 -19.635 18.199 -23.796 1.00 25.14 C ATOM 1550 O LYS A 98 -18.810 19.101 -23.932 1.00 43.14 O ATOM 1551 CB LYS A 98 -20.893 17.036 -25.619 1.00 72.53 C ATOM 1552 CG LYS A 98 -20.670 17.691 -26.971 1.00 54.45 C ATOM 1553 CD LYS A 98 -19.963 16.753 -27.935 1.00 62.41 C ATOM 1554 CE LYS A 98 -19.869 17.354 -29.329 1.00 21.33 C ATOM 1555 NZ LYS A 98 -19.892 16.306 -30.387 1.00 62.32 N1+ ATOM 0 H LYS A 98 -20.327 15.089 -24.220 1.00 14.40 H new ATOM 0 HA LYS A 98 -18.756 17.056 -25.376 1.00 75.44 H new ATOM 0 HB2 LYS A 98 -21.248 16.017 -25.773 1.00 72.53 H new ATOM 0 HB3 LYS A 98 -21.681 17.572 -25.091 1.00 72.53 H new ATOM 0 HG2 LYS A 98 -21.629 17.993 -27.393 1.00 54.45 H new ATOM 0 HG3 LYS A 98 -20.078 18.598 -26.844 1.00 54.45 H new ATOM 0 HD2 LYS A 98 -18.962 16.535 -27.563 1.00 62.41 H new ATOM 0 HD3 LYS A 98 -20.499 15.805 -27.982 1.00 62.41 H new ATOM 0 HE2 LYS A 98 -20.698 18.044 -29.484 1.00 21.33 H new ATOM 0 HE3 LYS A 98 -18.951 17.935 -29.413 1.00 21.33 H new ATOM 0 HZ1 LYS A 98 -19.826 16.756 -31.322 1.00 62.32 H new ATOM 0 HZ2 LYS A 98 -19.086 15.662 -30.255 1.00 62.32 H new ATOM 0 HZ3 LYS A 98 -20.780 15.768 -30.323 1.00 62.32 H new ATOM 1569 N GLU A 99 -20.558 18.197 -22.840 1.00 13.42 N ATOM 1570 CA GLU A 99 -20.656 19.284 -21.873 1.00 44.15 C ATOM 1571 C GLU A 99 -19.332 19.486 -21.143 1.00 25.22 C ATOM 1572 O GLU A 99 -18.872 20.614 -20.969 1.00 12.22 O ATOM 1573 CB GLU A 99 -21.770 18.999 -20.863 1.00 21.11 C ATOM 1574 CG GLU A 99 -23.069 19.725 -21.168 1.00 51.21 C ATOM 1575 CD GLU A 99 -23.791 19.148 -22.369 1.00 63.44 C ATOM 1576 OE1 GLU A 99 -23.338 19.392 -23.507 1.00 61.11 O ATOM 1577 OE2 GLU A 99 -24.810 18.452 -22.173 1.00 4.41 O1- ATOM 0 H GLU A 99 -21.248 17.456 -22.714 1.00 13.42 H new ATOM 0 HA GLU A 99 -20.893 20.198 -22.417 1.00 44.15 H new ATOM 0 HB2 GLU A 99 -21.961 17.926 -20.838 1.00 21.11 H new ATOM 0 HB3 GLU A 99 -21.429 19.285 -19.868 1.00 21.11 H new ATOM 0 HG2 GLU A 99 -23.722 19.674 -20.297 1.00 51.21 H new ATOM 0 HG3 GLU A 99 -22.858 20.779 -21.347 1.00 51.21 H new ATOM 1584 N ALA A 100 -18.724 18.382 -20.719 1.00 51.53 N ATOM 1585 CA ALA A 100 -17.451 18.437 -20.009 1.00 61.14 C ATOM 1586 C ALA A 100 -16.365 19.067 -20.874 1.00 61.55 C ATOM 1587 O ALA A 100 -15.597 19.909 -20.409 1.00 45.31 O ATOM 1588 CB ALA A 100 -17.033 17.042 -19.568 1.00 32.22 C ATOM 0 H ALA A 100 -19.092 17.440 -20.855 1.00 51.53 H new ATOM 0 HA ALA A 100 -17.583 19.062 -19.126 1.00 61.14 H new ATOM 0 HB1 ALA A 100 -16.081 17.097 -19.039 1.00 32.22 H new ATOM 0 HB2 ALA A 100 -17.793 16.627 -18.905 1.00 32.22 H new ATOM 0 HB3 ALA A 100 -16.925 16.401 -20.443 1.00 32.22 H new ATOM 1594 N LEU A 101 -16.309 18.655 -22.136 1.00 64.41 N ATOM 1595 CA LEU A 101 -15.316 19.179 -23.068 1.00 63.54 C ATOM 1596 C LEU A 101 -15.378 20.703 -23.129 1.00 23.42 C ATOM 1597 O LEU A 101 -14.351 21.371 -23.248 1.00 23.14 O ATOM 1598 CB LEU A 101 -15.538 18.593 -24.463 1.00 22.20 C ATOM 1599 CG LEU A 101 -15.188 17.113 -24.632 1.00 43.04 C ATOM 1600 CD1 LEU A 101 -15.765 16.574 -25.932 1.00 33.12 C ATOM 1601 CD2 LEU A 101 -13.680 16.915 -24.594 1.00 5.45 C ATOM 0 H LEU A 101 -16.939 17.960 -22.537 1.00 64.41 H new ATOM 0 HA LEU A 101 -14.328 18.887 -22.711 1.00 63.54 H new ATOM 0 HB2 LEU A 101 -16.585 18.731 -24.731 1.00 22.20 H new ATOM 0 HB3 LEU A 101 -14.948 19.169 -25.176 1.00 22.20 H new ATOM 0 HG LEU A 101 -15.629 16.558 -23.804 1.00 43.04 H new ATOM 0 HD11 LEU A 101 -15.506 15.520 -26.036 1.00 33.12 H new ATOM 0 HD12 LEU A 101 -16.850 16.682 -25.921 1.00 33.12 H new ATOM 0 HD13 LEU A 101 -15.353 17.133 -26.772 1.00 33.12 H new ATOM 0 HD21 LEU A 101 -13.449 15.857 -24.716 1.00 5.45 H new ATOM 0 HD22 LEU A 101 -13.218 17.483 -25.402 1.00 5.45 H new ATOM 0 HD23 LEU A 101 -13.291 17.264 -23.637 1.00 5.45 H new ATOM 1613 N ASP A 102 -16.588 21.244 -23.045 1.00 44.01 N ATOM 1614 CA ASP A 102 -16.783 22.689 -23.088 1.00 10.41 C ATOM 1615 C ASP A 102 -16.144 23.359 -21.876 1.00 54.21 C ATOM 1616 O ASP A 102 -15.683 24.498 -21.954 1.00 41.32 O ATOM 1617 CB ASP A 102 -18.275 23.022 -23.142 1.00 23.13 C ATOM 1618 CG ASP A 102 -18.534 24.445 -23.593 1.00 45.12 C ATOM 1619 OD1 ASP A 102 -18.394 25.367 -22.762 1.00 75.34 O ATOM 1620 OD2 ASP A 102 -18.875 24.639 -24.779 1.00 72.41 O1- ATOM 0 H ASP A 102 -17.448 20.705 -22.947 1.00 44.01 H new ATOM 0 HA ASP A 102 -16.301 23.070 -23.988 1.00 10.41 H new ATOM 0 HB2 ASP A 102 -18.774 22.332 -23.822 1.00 23.13 H new ATOM 0 HB3 ASP A 102 -18.714 22.871 -22.156 1.00 23.13 H new ATOM 1625 N LYS A 103 -16.120 22.646 -20.755 1.00 73.34 N ATOM 1626 CA LYS A 103 -15.538 23.170 -19.526 1.00 15.44 C ATOM 1627 C LYS A 103 -14.016 23.208 -19.617 1.00 10.21 C ATOM 1628 O LYS A 103 -13.373 24.090 -19.047 1.00 12.35 O ATOM 1629 CB LYS A 103 -15.967 22.317 -18.330 1.00 10.43 C ATOM 1630 CG LYS A 103 -16.418 23.133 -17.131 1.00 10.21 C ATOM 1631 CD LYS A 103 -17.932 23.239 -17.066 1.00 33.43 C ATOM 1632 CE LYS A 103 -18.376 24.215 -15.986 1.00 31.31 C ATOM 1633 NZ LYS A 103 -18.929 25.470 -16.567 1.00 2.34 N1+ ATOM 0 H LYS A 103 -16.498 21.702 -20.673 1.00 73.34 H new ATOM 0 HA LYS A 103 -15.901 24.188 -19.387 1.00 15.44 H new ATOM 0 HB2 LYS A 103 -16.780 21.658 -18.637 1.00 10.43 H new ATOM 0 HB3 LYS A 103 -15.135 21.679 -18.032 1.00 10.43 H new ATOM 0 HG2 LYS A 103 -16.045 22.673 -16.216 1.00 10.21 H new ATOM 0 HG3 LYS A 103 -15.985 24.132 -17.186 1.00 10.21 H new ATOM 0 HD2 LYS A 103 -18.317 23.564 -18.033 1.00 33.43 H new ATOM 0 HD3 LYS A 103 -18.359 22.256 -16.867 1.00 33.43 H new ATOM 0 HE2 LYS A 103 -19.131 23.742 -15.357 1.00 31.31 H new ATOM 0 HE3 LYS A 103 -17.529 24.455 -15.343 1.00 31.31 H new ATOM 0 HZ1 LYS A 103 -19.220 26.109 -15.800 1.00 2.34 H new ATOM 0 HZ2 LYS A 103 -18.201 25.934 -17.147 1.00 2.34 H new ATOM 0 HZ3 LYS A 103 -19.752 25.244 -17.161 1.00 2.34 H new ATOM 1647 N ILE A 104 -13.447 22.248 -20.338 1.00 60.52 N ATOM 1648 CA ILE A 104 -12.001 22.173 -20.506 1.00 73.25 C ATOM 1649 C ILE A 104 -11.486 23.332 -21.355 1.00 33.24 C ATOM 1650 O ILE A 104 -10.414 23.875 -21.095 1.00 54.03 O ATOM 1651 CB ILE A 104 -11.578 20.845 -21.159 1.00 1.54 C ATOM 1652 CG1 ILE A 104 -12.212 19.664 -20.422 1.00 73.22 C ATOM 1653 CG2 ILE A 104 -10.061 20.719 -21.167 1.00 32.22 C ATOM 1654 CD1 ILE A 104 -11.755 19.532 -18.986 1.00 20.33 C ATOM 0 H ILE A 104 -13.966 21.511 -20.815 1.00 60.52 H new ATOM 0 HA ILE A 104 -11.564 22.233 -19.509 1.00 73.25 H new ATOM 0 HB ILE A 104 -11.930 20.836 -22.191 1.00 1.54 H new ATOM 0 HG12 ILE A 104 -13.296 19.774 -20.441 1.00 73.22 H new ATOM 0 HG13 ILE A 104 -11.976 18.744 -20.956 1.00 73.22 H new ATOM 0 HG21 ILE A 104 -9.777 19.775 -21.632 1.00 32.22 H new ATOM 0 HG22 ILE A 104 -9.630 21.546 -21.732 1.00 32.22 H new ATOM 0 HG23 ILE A 104 -9.688 20.746 -20.143 1.00 32.22 H new ATOM 0 HD11 ILE A 104 -12.245 18.674 -18.526 1.00 20.33 H new ATOM 0 HD12 ILE A 104 -10.675 19.390 -18.960 1.00 20.33 H new ATOM 0 HD13 ILE A 104 -12.016 20.437 -18.437 1.00 20.33 H new ATOM 1666 N GLU A 105 -12.260 23.703 -22.370 1.00 64.11 N ATOM 1667 CA GLU A 105 -11.882 24.797 -23.257 1.00 42.31 C ATOM 1668 C GLU A 105 -12.031 26.143 -22.554 1.00 52.12 C ATOM 1669 O GLU A 105 -11.343 27.108 -22.886 1.00 61.44 O ATOM 1670 CB GLU A 105 -12.737 24.774 -24.526 1.00 71.11 C ATOM 1671 CG GLU A 105 -12.019 24.192 -25.732 1.00 72.34 C ATOM 1672 CD GLU A 105 -12.707 24.535 -27.040 1.00 23.35 C ATOM 1673 OE1 GLU A 105 -13.945 24.389 -27.115 1.00 11.23 O ATOM 1674 OE2 GLU A 105 -12.007 24.946 -27.989 1.00 11.22 O1- ATOM 0 H GLU A 105 -13.151 23.263 -22.598 1.00 64.11 H new ATOM 0 HA GLU A 105 -10.836 24.663 -23.531 1.00 42.31 H new ATOM 0 HB2 GLU A 105 -13.640 24.193 -24.336 1.00 71.11 H new ATOM 0 HB3 GLU A 105 -13.055 25.790 -24.758 1.00 71.11 H new ATOM 0 HG2 GLU A 105 -10.995 24.564 -25.756 1.00 72.34 H new ATOM 0 HG3 GLU A 105 -11.962 23.108 -25.629 1.00 72.34 H new ATOM 1681 N GLU A 106 -12.937 26.200 -21.582 1.00 64.21 N ATOM 1682 CA GLU A 106 -13.178 27.428 -20.834 1.00 31.41 C ATOM 1683 C GLU A 106 -12.146 27.599 -19.722 1.00 74.14 C ATOM 1684 O GLU A 106 -11.849 28.718 -19.305 1.00 24.10 O ATOM 1685 CB GLU A 106 -14.588 27.421 -20.240 1.00 2.31 C ATOM 1686 CG GLU A 106 -15.169 28.810 -20.033 1.00 22.22 C ATOM 1687 CD GLU A 106 -15.744 29.396 -21.308 1.00 51.12 C ATOM 1688 OE1 GLU A 106 -14.953 29.830 -22.171 1.00 31.21 O ATOM 1689 OE2 GLU A 106 -16.985 29.422 -21.442 1.00 34.00 O1- ATOM 0 H GLU A 106 -13.515 25.410 -21.295 1.00 64.21 H new ATOM 0 HA GLU A 106 -13.086 28.267 -21.523 1.00 31.41 H new ATOM 0 HB2 GLU A 106 -15.247 26.855 -20.898 1.00 2.31 H new ATOM 0 HB3 GLU A 106 -14.567 26.899 -19.283 1.00 2.31 H new ATOM 0 HG2 GLU A 106 -15.950 28.764 -19.274 1.00 22.22 H new ATOM 0 HG3 GLU A 106 -14.392 29.472 -19.651 1.00 22.22 H new ATOM 1696 N GLU A 107 -11.606 26.481 -19.248 1.00 14.33 N ATOM 1697 CA GLU A 107 -10.610 26.508 -18.183 1.00 3.14 C ATOM 1698 C GLU A 107 -9.201 26.624 -18.759 1.00 23.30 C ATOM 1699 O GLU A 107 -8.359 27.344 -18.225 1.00 51.43 O ATOM 1700 CB GLU A 107 -10.717 25.247 -17.322 1.00 13.32 C ATOM 1701 CG GLU A 107 -10.205 25.434 -15.903 1.00 44.31 C ATOM 1702 CD GLU A 107 -11.316 25.734 -14.917 1.00 13.15 C ATOM 1703 OE1 GLU A 107 -12.368 26.250 -15.347 1.00 33.42 O ATOM 1704 OE2 GLU A 107 -11.134 25.451 -13.714 1.00 50.54 O1- ATOM 0 H GLU A 107 -11.841 25.547 -19.584 1.00 14.33 H new ATOM 0 HA GLU A 107 -10.804 27.382 -17.561 1.00 3.14 H new ATOM 0 HB2 GLU A 107 -11.759 24.930 -17.284 1.00 13.32 H new ATOM 0 HB3 GLU A 107 -10.156 24.443 -17.799 1.00 13.32 H new ATOM 0 HG2 GLU A 107 -9.679 24.532 -15.589 1.00 44.31 H new ATOM 0 HG3 GLU A 107 -9.480 26.248 -15.887 1.00 44.31 H new ATOM 1711 N GLN A 108 -8.954 25.909 -19.852 1.00 51.00 N ATOM 1712 CA GLN A 108 -7.648 25.931 -20.501 1.00 53.32 C ATOM 1713 C GLN A 108 -7.235 27.359 -20.842 1.00 41.32 C ATOM 1714 O GLN A 108 -6.051 27.694 -20.823 1.00 3.34 O ATOM 1715 CB GLN A 108 -7.670 25.077 -21.769 1.00 70.14 C ATOM 1716 CG GLN A 108 -8.423 25.720 -22.923 1.00 4.15 C ATOM 1717 CD GLN A 108 -7.525 26.564 -23.806 1.00 42.43 C ATOM 1718 OE1 GLN A 108 -6.364 26.223 -24.036 1.00 63.15 O ATOM 1719 NE2 GLN A 108 -8.058 27.672 -24.306 1.00 61.23 N ATOM 0 H GLN A 108 -9.641 25.307 -20.307 1.00 51.00 H new ATOM 0 HA GLN A 108 -6.918 25.516 -19.806 1.00 53.32 H new ATOM 0 HB2 GLN A 108 -6.645 24.878 -22.081 1.00 70.14 H new ATOM 0 HB3 GLN A 108 -8.126 24.114 -21.540 1.00 70.14 H new ATOM 0 HG2 GLN A 108 -8.891 24.941 -23.525 1.00 4.15 H new ATOM 0 HG3 GLN A 108 -9.226 26.342 -22.527 1.00 4.15 H new ATOM 0 HE21 GLN A 108 -9.024 27.916 -24.089 1.00 61.23 H new ATOM 0 HE22 GLN A 108 -7.501 28.280 -24.907 1.00 61.23 H new ATOM 1728 N ASN A 109 -8.218 28.196 -21.154 1.00 54.23 N ATOM 1729 CA ASN A 109 -7.956 29.589 -21.500 1.00 24.22 C ATOM 1730 C ASN A 109 -7.211 30.299 -20.374 1.00 72.42 C ATOM 1731 O ASN A 109 -6.311 31.102 -20.619 1.00 10.24 O ATOM 1732 CB ASN A 109 -9.267 30.318 -21.799 1.00 21.33 C ATOM 1733 CG ASN A 109 -9.127 31.320 -22.929 1.00 53.42 C ATOM 1734 OD1 ASN A 109 -8.455 32.342 -22.787 1.00 53.02 O ATOM 1735 ND2 ASN A 109 -9.762 31.031 -24.058 1.00 62.25 N ATOM 0 H ASN A 109 -9.204 27.935 -21.175 1.00 54.23 H new ATOM 0 HA ASN A 109 -7.329 29.604 -22.392 1.00 24.22 H new ATOM 0 HB2 ASN A 109 -10.035 29.588 -22.057 1.00 21.33 H new ATOM 0 HB3 ASN A 109 -9.606 30.833 -20.900 1.00 21.33 H new ATOM 0 HD21 ASN A 109 -9.704 31.668 -24.853 1.00 62.25 H new ATOM 0 HD22 ASN A 109 -10.308 30.172 -24.131 1.00 62.25 H new ATOM 1742 N LYS A 110 -7.593 29.997 -19.138 1.00 70.22 N ATOM 1743 CA LYS A 110 -6.962 30.604 -17.972 1.00 50.42 C ATOM 1744 C LYS A 110 -5.457 30.358 -17.979 1.00 15.13 C ATOM 1745 O LYS A 110 -4.685 31.159 -17.451 1.00 13.32 O ATOM 1746 CB LYS A 110 -7.576 30.045 -16.686 1.00 52.41 C ATOM 1747 CG LYS A 110 -9.088 30.174 -16.628 1.00 12.50 C ATOM 1748 CD LYS A 110 -9.548 30.747 -15.297 1.00 44.35 C ATOM 1749 CE LYS A 110 -11.064 30.830 -15.221 1.00 52.34 C ATOM 1750 NZ LYS A 110 -11.592 30.215 -13.972 1.00 14.40 N1+ ATOM 0 H LYS A 110 -8.337 29.335 -18.918 1.00 70.22 H new ATOM 0 HA LYS A 110 -7.137 31.679 -18.013 1.00 50.42 H new ATOM 0 HB2 LYS A 110 -7.306 28.993 -16.592 1.00 52.41 H new ATOM 0 HB3 LYS A 110 -7.142 30.564 -15.831 1.00 52.41 H new ATOM 0 HG2 LYS A 110 -9.431 30.816 -17.440 1.00 12.50 H new ATOM 0 HG3 LYS A 110 -9.544 29.196 -16.781 1.00 12.50 H new ATOM 0 HD2 LYS A 110 -9.175 30.125 -14.483 1.00 44.35 H new ATOM 0 HD3 LYS A 110 -9.121 31.740 -15.160 1.00 44.35 H new ATOM 0 HE2 LYS A 110 -11.373 31.874 -15.270 1.00 52.34 H new ATOM 0 HE3 LYS A 110 -11.499 30.327 -16.085 1.00 52.34 H new ATOM 0 HZ1 LYS A 110 -12.629 30.292 -13.959 1.00 14.40 H new ATOM 0 HZ2 LYS A 110 -11.319 29.212 -13.936 1.00 14.40 H new ATOM 0 HZ3 LYS A 110 -11.197 30.711 -13.147 1.00 14.40 H new ATOM 1764 N SER A 111 -5.045 29.247 -18.580 1.00 73.51 N ATOM 1765 CA SER A 111 -3.633 28.895 -18.653 1.00 22.44 C ATOM 1766 C SER A 111 -2.912 29.750 -19.690 1.00 64.13 C ATOM 1767 O SER A 111 -1.717 30.019 -19.569 1.00 71.34 O ATOM 1768 CB SER A 111 -3.472 27.412 -18.997 1.00 2.41 C ATOM 1769 OG SER A 111 -3.216 27.235 -20.380 1.00 73.24 O ATOM 0 H SER A 111 -5.670 28.574 -19.024 1.00 73.51 H new ATOM 0 HA SER A 111 -3.186 29.085 -17.677 1.00 22.44 H new ATOM 0 HB2 SER A 111 -2.654 26.987 -18.415 1.00 2.41 H new ATOM 0 HB3 SER A 111 -4.376 26.870 -18.719 1.00 2.41 H new ATOM 0 HG SER A 111 -4.052 27.333 -20.883 1.00 73.24 H new ATOM 1775 N LYS A 112 -3.649 30.177 -20.711 1.00 21.45 N ATOM 1776 CA LYS A 112 -3.083 31.003 -21.771 1.00 74.25 C ATOM 1777 C LYS A 112 -2.803 32.416 -21.267 1.00 20.43 C ATOM 1778 O LYS A 112 -1.893 33.089 -21.751 1.00 12.51 O ATOM 1779 CB LYS A 112 -4.036 31.056 -22.968 1.00 10.43 C ATOM 1780 CG LYS A 112 -3.548 30.263 -24.167 1.00 70.52 C ATOM 1781 CD LYS A 112 -3.847 30.984 -25.471 1.00 61.21 C ATOM 1782 CE LYS A 112 -2.821 30.648 -26.542 1.00 33.51 C ATOM 1783 NZ LYS A 112 -3.159 29.386 -27.257 1.00 3.43 N1+ ATOM 0 H LYS A 112 -4.640 29.964 -20.826 1.00 21.45 H new ATOM 0 HA LYS A 112 -2.141 30.554 -22.085 1.00 74.25 H new ATOM 0 HB2 LYS A 112 -5.011 30.675 -22.663 1.00 10.43 H new ATOM 0 HB3 LYS A 112 -4.178 32.096 -23.263 1.00 10.43 H new ATOM 0 HG2 LYS A 112 -2.474 30.095 -24.081 1.00 70.52 H new ATOM 0 HG3 LYS A 112 -4.024 29.283 -24.175 1.00 70.52 H new ATOM 0 HD2 LYS A 112 -4.842 30.709 -25.820 1.00 61.21 H new ATOM 0 HD3 LYS A 112 -3.856 32.060 -25.299 1.00 61.21 H new ATOM 0 HE2 LYS A 112 -2.763 31.467 -27.259 1.00 33.51 H new ATOM 0 HE3 LYS A 112 -1.836 30.554 -26.085 1.00 33.51 H new ATOM 0 HZ1 LYS A 112 -2.436 29.192 -27.979 1.00 3.43 H new ATOM 0 HZ2 LYS A 112 -3.190 28.599 -26.577 1.00 3.43 H new ATOM 0 HZ3 LYS A 112 -4.088 29.484 -27.715 1.00 3.43 H new ATOM 1797 N LYS A 113 -3.591 32.858 -20.293 1.00 44.44 N ATOM 1798 CA LYS A 113 -3.427 34.190 -19.722 1.00 41.44 C ATOM 1799 C LYS A 113 -2.077 34.319 -19.022 1.00 74.51 C ATOM 1800 O LYS A 113 -1.428 35.363 -19.089 1.00 75.55 O ATOM 1801 CB LYS A 113 -4.556 34.486 -18.733 1.00 50.21 C ATOM 1802 CG LYS A 113 -4.710 35.962 -18.410 1.00 11.30 C ATOM 1803 CD LYS A 113 -5.653 36.651 -19.382 1.00 1.44 C ATOM 1804 CE LYS A 113 -5.079 37.971 -19.874 1.00 20.01 C ATOM 1805 NZ LYS A 113 -5.189 39.042 -18.845 1.00 35.33 N1+ ATOM 0 H LYS A 113 -4.350 32.314 -19.882 1.00 44.44 H new ATOM 0 HA LYS A 113 -3.466 34.914 -20.536 1.00 41.44 H new ATOM 0 HB2 LYS A 113 -5.494 34.113 -19.143 1.00 50.21 H new ATOM 0 HB3 LYS A 113 -4.371 33.938 -17.809 1.00 50.21 H new ATOM 0 HG2 LYS A 113 -5.087 36.075 -17.394 1.00 11.30 H new ATOM 0 HG3 LYS A 113 -3.734 36.446 -18.444 1.00 11.30 H new ATOM 0 HD2 LYS A 113 -5.843 35.996 -20.232 1.00 1.44 H new ATOM 0 HD3 LYS A 113 -6.612 36.829 -18.896 1.00 1.44 H new ATOM 0 HE2 LYS A 113 -4.032 37.833 -20.144 1.00 20.01 H new ATOM 0 HE3 LYS A 113 -5.604 38.281 -20.778 1.00 20.01 H new ATOM 0 HZ1 LYS A 113 -4.787 39.925 -19.219 1.00 35.33 H new ATOM 0 HZ2 LYS A 113 -6.190 39.191 -18.605 1.00 35.33 H new ATOM 0 HZ3 LYS A 113 -4.667 38.758 -17.991 1.00 35.33 H new ATOM 1819 N LYS A 114 -1.659 33.251 -18.352 1.00 40.30 N ATOM 1820 CA LYS A 114 -0.386 33.243 -17.641 1.00 23.24 C ATOM 1821 C LYS A 114 0.780 33.397 -18.612 1.00 21.50 C ATOM 1822 O LYS A 114 1.835 33.920 -18.254 1.00 34.31 O ATOM 1823 CB LYS A 114 -0.231 31.945 -16.844 1.00 52.15 C ATOM 1824 CG LYS A 114 -0.296 32.145 -15.339 1.00 5.23 C ATOM 1825 CD LYS A 114 0.527 31.101 -14.603 1.00 51.21 C ATOM 1826 CE LYS A 114 0.831 31.536 -13.177 1.00 63.54 C ATOM 1827 NZ LYS A 114 2.038 30.852 -12.634 1.00 32.50 N1+ ATOM 0 H LYS A 114 -2.184 32.379 -18.286 1.00 40.30 H new ATOM 0 HA LYS A 114 -0.378 34.088 -16.953 1.00 23.24 H new ATOM 0 HB2 LYS A 114 -1.014 31.248 -17.144 1.00 52.15 H new ATOM 0 HB3 LYS A 114 0.722 31.483 -17.100 1.00 52.15 H new ATOM 0 HG2 LYS A 114 0.068 33.141 -15.087 1.00 5.23 H new ATOM 0 HG3 LYS A 114 -1.333 32.092 -15.008 1.00 5.23 H new ATOM 0 HD2 LYS A 114 -0.013 30.154 -14.589 1.00 51.21 H new ATOM 0 HD3 LYS A 114 1.460 30.928 -15.139 1.00 51.21 H new ATOM 0 HE2 LYS A 114 0.982 32.615 -13.151 1.00 63.54 H new ATOM 0 HE3 LYS A 114 -0.027 31.319 -12.540 1.00 63.54 H new ATOM 0 HZ1 LYS A 114 2.212 31.175 -11.661 1.00 32.50 H new ATOM 0 HZ2 LYS A 114 1.884 29.823 -12.635 1.00 32.50 H new ATOM 0 HZ3 LYS A 114 2.862 31.079 -13.227 1.00 32.50 H new ATOM 1841 N ALA A 115 0.582 32.939 -19.845 1.00 54.54 N ATOM 1842 CA ALA A 115 1.616 33.031 -20.868 1.00 32.54 C ATOM 1843 C ALA A 115 1.288 34.118 -21.885 1.00 62.33 C ATOM 1844 O ALA A 115 1.643 34.010 -23.059 1.00 61.11 O ATOM 1845 CB ALA A 115 1.788 31.688 -21.565 1.00 31.12 C ATOM 0 H ALA A 115 -0.284 32.501 -20.158 1.00 54.54 H new ATOM 0 HA ALA A 115 2.553 33.299 -20.380 1.00 32.54 H new ATOM 0 HB1 ALA A 115 2.563 31.770 -22.327 1.00 31.12 H new ATOM 0 HB2 ALA A 115 2.076 30.933 -20.834 1.00 31.12 H new ATOM 0 HB3 ALA A 115 0.848 31.398 -22.034 1.00 31.12 H new ATOM 1851 N GLN A 116 0.607 35.164 -21.428 1.00 31.14 N ATOM 1852 CA GLN A 116 0.231 36.270 -22.300 1.00 31.12 C ATOM 1853 C GLN A 116 1.092 37.499 -22.023 1.00 73.42 C ATOM 1854 O GLN A 116 0.647 38.632 -22.203 1.00 23.10 O ATOM 1855 CB GLN A 116 -1.248 36.616 -22.110 1.00 1.33 C ATOM 1856 CG GLN A 116 -1.868 37.312 -23.310 1.00 21.43 C ATOM 1857 CD GLN A 116 -2.677 38.534 -22.922 1.00 24.11 C ATOM 1858 OE1 GLN A 116 -2.219 39.376 -22.150 1.00 44.32 O ATOM 1859 NE2 GLN A 116 -3.888 38.637 -23.458 1.00 3.42 N ATOM 0 H GLN A 116 0.305 35.269 -20.459 1.00 31.14 H new ATOM 0 HA GLN A 116 0.395 35.959 -23.332 1.00 31.12 H new ATOM 0 HB2 GLN A 116 -1.803 35.701 -21.904 1.00 1.33 H new ATOM 0 HB3 GLN A 116 -1.353 37.257 -21.234 1.00 1.33 H new ATOM 0 HG2 GLN A 116 -1.079 37.608 -24.001 1.00 21.43 H new ATOM 0 HG3 GLN A 116 -2.510 36.609 -23.841 1.00 21.43 H new ATOM 0 HE21 GLN A 116 -4.228 37.915 -24.094 1.00 3.42 H new ATOM 0 HE22 GLN A 116 -4.478 39.438 -23.234 1.00 3.42 H new ATOM 1868 N GLN A 117 2.324 37.265 -21.584 1.00 25.31 N ATOM 1869 CA GLN A 117 3.247 38.353 -21.283 1.00 31.31 C ATOM 1870 C GLN A 117 3.995 38.795 -22.536 1.00 43.42 C ATOM 1871 O GLN A 117 4.279 39.980 -22.715 1.00 22.12 O ATOM 1872 CB GLN A 117 4.242 37.921 -20.205 1.00 1.31 C ATOM 1873 CG GLN A 117 5.177 36.808 -20.651 1.00 62.14 C ATOM 1874 CD GLN A 117 5.570 35.885 -19.514 1.00 60.53 C ATOM 1875 OE1 GLN A 117 5.473 34.663 -19.631 1.00 2.33 O ATOM 1876 NE2 GLN A 117 6.014 36.466 -18.406 1.00 10.05 N ATOM 0 H GLN A 117 2.706 36.332 -21.429 1.00 25.31 H new ATOM 0 HA GLN A 117 2.666 39.198 -20.913 1.00 31.31 H new ATOM 0 HB2 GLN A 117 4.836 38.784 -19.903 1.00 1.31 H new ATOM 0 HB3 GLN A 117 3.691 37.590 -19.325 1.00 1.31 H new ATOM 0 HG2 GLN A 117 4.694 36.226 -21.436 1.00 62.14 H new ATOM 0 HG3 GLN A 117 6.076 37.246 -21.086 1.00 62.14 H new ATOM 0 HE21 GLN A 117 6.078 37.483 -18.354 1.00 10.05 H new ATOM 0 HE22 GLN A 117 6.291 35.896 -17.607 1.00 10.05 H new ATOM 1885 N ALA A 118 4.312 37.836 -23.400 1.00 74.13 N ATOM 1886 CA ALA A 118 5.026 38.128 -24.636 1.00 50.13 C ATOM 1887 C ALA A 118 4.056 38.333 -25.795 1.00 13.02 C ATOM 1888 O ALA A 118 4.158 39.311 -26.536 1.00 31.42 O ATOM 1889 CB ALA A 118 6.005 37.008 -24.958 1.00 53.34 C ATOM 0 H ALA A 118 4.085 36.851 -23.266 1.00 74.13 H new ATOM 0 HA ALA A 118 5.583 39.054 -24.494 1.00 50.13 H new ATOM 0 HB1 ALA A 118 6.531 37.240 -25.884 1.00 53.34 H new ATOM 0 HB2 ALA A 118 6.725 36.910 -24.146 1.00 53.34 H new ATOM 0 HB3 ALA A 118 5.460 36.071 -25.075 1.00 53.34 H new ATOM 1895 N ALA A 119 3.116 37.405 -25.946 1.00 53.44 N ATOM 1896 CA ALA A 119 2.127 37.486 -27.013 1.00 23.21 C ATOM 1897 C ALA A 119 0.957 38.379 -26.612 1.00 43.33 C ATOM 1898 O ALA A 119 -0.173 37.913 -26.475 1.00 1.51 O ATOM 1899 CB ALA A 119 1.630 36.095 -27.378 1.00 32.23 C ATOM 0 H ALA A 119 3.019 36.589 -25.342 1.00 53.44 H new ATOM 0 HA ALA A 119 2.606 37.930 -27.885 1.00 23.21 H new ATOM 0 HB1 ALA A 119 0.892 36.170 -28.176 1.00 32.23 H new ATOM 0 HB2 ALA A 119 2.469 35.486 -27.716 1.00 32.23 H new ATOM 0 HB3 ALA A 119 1.173 35.631 -26.504 1.00 32.23 H new ATOM 1905 N ALA A 120 1.238 39.665 -26.425 1.00 71.21 N ATOM 1906 CA ALA A 120 0.209 40.623 -26.041 1.00 21.44 C ATOM 1907 C ALA A 120 0.573 42.032 -26.497 1.00 71.23 C ATOM 1908 O ALA A 120 -0.276 42.773 -26.990 1.00 71.55 O ATOM 1909 CB ALA A 120 -0.006 40.592 -24.535 1.00 1.31 C ATOM 0 H ALA A 120 2.169 40.067 -26.533 1.00 71.21 H new ATOM 0 HA ALA A 120 -0.720 40.338 -26.535 1.00 21.44 H new ATOM 0 HB1 ALA A 120 -0.777 41.313 -24.263 1.00 1.31 H new ATOM 0 HB2 ALA A 120 -0.320 39.593 -24.233 1.00 1.31 H new ATOM 0 HB3 ALA A 120 0.925 40.848 -24.029 1.00 1.31 H new ATOM 1915 N ASP A 121 1.840 42.394 -26.327 1.00 51.11 N ATOM 1916 CA ASP A 121 2.316 43.715 -26.722 1.00 0.31 C ATOM 1917 C ASP A 121 2.775 43.715 -28.176 1.00 71.42 C ATOM 1918 O ASP A 121 3.965 43.848 -28.464 1.00 62.51 O ATOM 1919 CB ASP A 121 3.463 44.159 -25.812 1.00 61.41 C ATOM 1920 CG ASP A 121 3.785 45.633 -25.964 1.00 71.44 C ATOM 1921 OD1 ASP A 121 4.151 46.048 -27.085 1.00 14.34 O ATOM 1922 OD2 ASP A 121 3.669 46.371 -24.964 1.00 41.34 O1- ATOM 0 H ASP A 121 2.555 41.792 -25.919 1.00 51.11 H new ATOM 0 HA ASP A 121 1.489 44.418 -26.621 1.00 0.31 H new ATOM 0 HB2 ASP A 121 3.201 43.952 -24.774 1.00 61.41 H new ATOM 0 HB3 ASP A 121 4.352 43.571 -26.039 1.00 61.41 H new ATOM 1927 N THR A 122 1.823 43.563 -29.092 1.00 64.15 N ATOM 1928 CA THR A 122 2.129 43.543 -30.517 1.00 2.13 C ATOM 1929 C THR A 122 0.998 44.162 -31.331 1.00 5.43 C ATOM 1930 O THR A 122 -0.059 44.488 -30.794 1.00 62.15 O ATOM 1931 CB THR A 122 2.381 42.108 -31.017 1.00 45.03 C ATOM 1932 OG1 THR A 122 1.650 41.175 -30.215 1.00 33.34 O ATOM 1933 CG2 THR A 122 3.864 41.772 -30.972 1.00 22.23 C ATOM 0 H THR A 122 0.833 43.452 -28.872 1.00 64.15 H new ATOM 0 HA THR A 122 3.036 44.132 -30.654 1.00 2.13 H new ATOM 0 HB THR A 122 2.041 42.042 -32.051 1.00 45.03 H new ATOM 0 HG1 THR A 122 1.814 40.265 -30.540 1.00 33.34 H new ATOM 0 HG21 THR A 122 4.017 40.754 -31.330 1.00 22.23 H new ATOM 0 HG22 THR A 122 4.414 42.466 -31.607 1.00 22.23 H new ATOM 0 HG23 THR A 122 4.225 41.855 -29.947 1.00 22.23 H new ATOM 1941 N GLY A 123 1.229 44.320 -32.631 1.00 53.40 N ATOM 1942 CA GLY A 123 0.220 44.899 -33.498 1.00 51.31 C ATOM 1943 C GLY A 123 -1.114 44.189 -33.389 1.00 74.23 C ATOM 1944 O GLY A 123 -1.222 43.152 -32.736 1.00 62.22 O ATOM 0 H GLY A 123 2.097 44.057 -33.099 1.00 53.40 H new ATOM 0 HA2 GLY A 123 0.090 45.951 -33.246 1.00 51.31 H new ATOM 0 HA3 GLY A 123 0.566 44.859 -34.531 1.00 51.31 H new ATOM 1948 N ASN A 124 -2.135 44.750 -34.029 1.00 74.53 N ATOM 1949 CA ASN A 124 -3.471 44.165 -33.999 1.00 10.24 C ATOM 1950 C ASN A 124 -3.971 43.876 -35.412 1.00 15.43 C ATOM 1951 O ASN A 124 -3.543 44.513 -36.373 1.00 64.52 O ATOM 1952 CB ASN A 124 -4.446 45.101 -33.283 1.00 44.43 C ATOM 1953 CG ASN A 124 -5.297 44.377 -32.259 1.00 21.43 C ATOM 1954 OD1 ASN A 124 -5.899 43.344 -32.555 1.00 73.12 O ATOM 1955 ND2 ASN A 124 -5.351 44.916 -31.047 1.00 55.30 N ATOM 0 H ASN A 124 -2.063 45.609 -34.575 1.00 74.53 H new ATOM 0 HA ASN A 124 -3.415 43.224 -33.453 1.00 10.24 H new ATOM 0 HB2 ASN A 124 -3.886 45.896 -32.789 1.00 44.43 H new ATOM 0 HB3 ASN A 124 -5.094 45.577 -34.018 1.00 44.43 H new ATOM 0 HD21 ASN A 124 -5.908 44.473 -30.316 1.00 55.30 H new ATOM 0 HD22 ASN A 124 -4.836 45.773 -30.847 1.00 55.30 H new ATOM 1962 N ASN A 125 -4.879 42.913 -35.528 1.00 1.32 N ATOM 1963 CA ASN A 125 -5.437 42.540 -36.822 1.00 23.23 C ATOM 1964 C ASN A 125 -6.743 43.281 -37.085 1.00 74.15 C ATOM 1965 O ASN A 125 -7.395 43.759 -36.156 1.00 70.24 O ATOM 1966 CB ASN A 125 -5.672 41.029 -36.883 1.00 72.23 C ATOM 1967 CG ASN A 125 -6.512 40.528 -35.724 1.00 50.13 C ATOM 1968 OD1 ASN A 125 -7.712 40.795 -35.651 1.00 22.11 O ATOM 1969 ND2 ASN A 125 -5.883 39.798 -34.810 1.00 24.45 N ATOM 0 H ASN A 125 -5.244 42.377 -34.741 1.00 1.32 H new ATOM 0 HA ASN A 125 -4.720 42.820 -37.594 1.00 23.23 H new ATOM 0 HB2 ASN A 125 -6.166 40.778 -37.822 1.00 72.23 H new ATOM 0 HB3 ASN A 125 -4.711 40.514 -36.881 1.00 72.23 H new ATOM 0 HD21 ASN A 125 -6.396 39.434 -34.007 1.00 24.45 H new ATOM 0 HD22 ASN A 125 -4.887 39.602 -34.911 1.00 24.45 H new ATOM 1976 N SER A 126 -7.120 43.373 -38.356 1.00 73.15 N ATOM 1977 CA SER A 126 -8.348 44.059 -38.743 1.00 15.51 C ATOM 1978 C SER A 126 -9.497 43.068 -38.902 1.00 13.32 C ATOM 1979 O SER A 126 -9.287 41.912 -39.270 1.00 65.11 O ATOM 1980 CB SER A 126 -8.138 44.828 -40.047 1.00 63.53 C ATOM 1981 OG SER A 126 -9.246 45.667 -40.329 1.00 11.31 O ATOM 0 H SER A 126 -6.593 42.981 -39.136 1.00 73.15 H new ATOM 0 HA SER A 126 -8.606 44.763 -37.952 1.00 15.51 H new ATOM 0 HB2 SER A 126 -7.231 45.429 -39.976 1.00 63.53 H new ATOM 0 HB3 SER A 126 -7.992 44.126 -40.868 1.00 63.53 H new ATOM 0 HG SER A 126 -9.086 46.149 -41.167 1.00 11.31 H new ATOM 1987 N GLN A 127 -10.711 43.529 -38.620 1.00 73.25 N ATOM 1988 CA GLN A 127 -11.894 42.683 -38.732 1.00 1.14 C ATOM 1989 C GLN A 127 -12.244 42.426 -40.194 1.00 2.24 C ATOM 1990 O GLN A 127 -11.577 42.926 -41.099 1.00 23.53 O ATOM 1991 CB GLN A 127 -13.080 43.333 -38.018 1.00 34.22 C ATOM 1992 CG GLN A 127 -13.421 44.718 -38.543 1.00 53.24 C ATOM 1993 CD GLN A 127 -13.633 45.728 -37.431 1.00 64.13 C ATOM 1994 OE1 GLN A 127 -14.613 45.656 -36.690 1.00 31.01 O ATOM 1995 NE2 GLN A 127 -12.711 46.676 -37.310 1.00 63.11 N ATOM 0 H GLN A 127 -10.902 44.483 -38.313 1.00 73.25 H new ATOM 0 HA GLN A 127 -11.672 41.727 -38.258 1.00 1.14 H new ATOM 0 HB2 GLN A 127 -13.953 42.689 -38.122 1.00 34.22 H new ATOM 0 HB3 GLN A 127 -12.859 43.401 -36.953 1.00 34.22 H new ATOM 0 HG2 GLN A 127 -12.618 45.063 -39.194 1.00 53.24 H new ATOM 0 HG3 GLN A 127 -14.323 44.660 -39.152 1.00 53.24 H new ATOM 0 HE21 GLN A 127 -11.915 46.697 -37.947 1.00 63.11 H new ATOM 0 HE22 GLN A 127 -12.799 47.383 -36.580 1.00 63.11 H new ATOM 2004 N VAL A 128 -13.293 41.641 -40.417 1.00 53.12 N ATOM 2005 CA VAL A 128 -13.733 41.318 -41.769 1.00 2.21 C ATOM 2006 C VAL A 128 -14.581 42.441 -42.355 1.00 2.44 C ATOM 2007 O VAL A 128 -15.114 43.276 -41.624 1.00 74.10 O ATOM 2008 CB VAL A 128 -14.543 40.008 -41.798 1.00 51.05 C ATOM 2009 CG1 VAL A 128 -13.653 38.822 -41.460 1.00 52.14 C ATOM 2010 CG2 VAL A 128 -15.722 40.091 -40.840 1.00 74.44 C ATOM 0 H VAL A 128 -13.854 41.217 -39.678 1.00 53.12 H new ATOM 0 HA VAL A 128 -12.834 41.194 -42.373 1.00 2.21 H new ATOM 0 HB VAL A 128 -14.932 39.863 -42.806 1.00 51.05 H new ATOM 0 HG11 VAL A 128 -14.243 37.906 -41.485 1.00 52.14 H new ATOM 0 HG12 VAL A 128 -12.845 38.754 -42.189 1.00 52.14 H new ATOM 0 HG13 VAL A 128 -13.232 38.955 -40.463 1.00 52.14 H new ATOM 0 HG21 VAL A 128 -16.284 39.157 -40.873 1.00 74.44 H new ATOM 0 HG22 VAL A 128 -15.357 40.259 -39.827 1.00 74.44 H new ATOM 0 HG23 VAL A 128 -16.372 40.916 -41.133 1.00 74.44 H new ATOM 2020 N SER A 129 -14.701 42.455 -43.678 1.00 74.54 N ATOM 2021 CA SER A 129 -15.482 43.478 -44.364 1.00 35.41 C ATOM 2022 C SER A 129 -16.830 42.922 -44.814 1.00 44.11 C ATOM 2023 O SER A 129 -17.095 41.727 -44.682 1.00 73.51 O ATOM 2024 CB SER A 129 -14.711 44.016 -45.571 1.00 33.34 C ATOM 2025 OG SER A 129 -14.231 45.326 -45.326 1.00 42.44 O ATOM 0 H SER A 129 -14.268 41.770 -44.297 1.00 74.54 H new ATOM 0 HA SER A 129 -15.660 44.294 -43.663 1.00 35.41 H new ATOM 0 HB2 SER A 129 -13.874 43.355 -45.796 1.00 33.34 H new ATOM 0 HB3 SER A 129 -15.359 44.021 -46.448 1.00 33.34 H new ATOM 0 HG SER A 129 -13.740 45.647 -46.111 1.00 42.44 H new ATOM 2031 N GLN A 130 -17.677 43.798 -45.346 1.00 30.12 N ATOM 2032 CA GLN A 130 -18.997 43.394 -45.815 1.00 55.11 C ATOM 2033 C GLN A 130 -18.888 42.484 -47.033 1.00 41.13 C ATOM 2034 O GLN A 130 -17.794 42.064 -47.410 1.00 52.23 O ATOM 2035 CB GLN A 130 -19.838 44.625 -46.157 1.00 44.34 C ATOM 2036 CG GLN A 130 -19.877 45.663 -45.048 1.00 14.32 C ATOM 2037 CD GLN A 130 -20.965 46.699 -45.254 1.00 44.20 C ATOM 2038 OE1 GLN A 130 -21.739 46.994 -44.343 1.00 23.24 O ATOM 2039 NE2 GLN A 130 -21.030 47.257 -46.457 1.00 23.23 N ATOM 0 H GLN A 130 -17.473 44.791 -45.463 1.00 30.12 H new ATOM 0 HA GLN A 130 -19.485 42.840 -45.014 1.00 55.11 H new ATOM 0 HB2 GLN A 130 -19.441 45.086 -47.061 1.00 44.34 H new ATOM 0 HB3 GLN A 130 -20.856 44.308 -46.382 1.00 44.34 H new ATOM 0 HG2 GLN A 130 -20.034 45.162 -44.093 1.00 14.32 H new ATOM 0 HG3 GLN A 130 -18.910 46.164 -44.990 1.00 14.32 H new ATOM 0 HE21 GLN A 130 -20.368 46.983 -47.183 1.00 23.23 H new ATOM 0 HE22 GLN A 130 -21.742 47.960 -46.655 1.00 23.23 H new ATOM 2048 N ASN A 131 -20.028 42.183 -47.645 1.00 31.51 N ATOM 2049 CA ASN A 131 -20.060 41.321 -48.821 1.00 64.31 C ATOM 2050 C ASN A 131 -19.293 41.952 -49.979 1.00 5.43 C ATOM 2051 O ASN A 131 -18.760 43.055 -49.857 1.00 34.32 O ATOM 2052 CB ASN A 131 -21.507 41.050 -49.242 1.00 11.41 C ATOM 2053 CG ASN A 131 -22.201 40.066 -48.321 1.00 14.11 C ATOM 2054 OD1 ASN A 131 -23.158 40.416 -47.629 1.00 30.22 O ATOM 2055 ND2 ASN A 131 -21.722 38.827 -48.308 1.00 41.11 N ATOM 0 H ASN A 131 -20.942 42.523 -47.346 1.00 31.51 H new ATOM 0 HA ASN A 131 -19.581 40.377 -48.561 1.00 64.31 H new ATOM 0 HB2 ASN A 131 -22.062 41.988 -49.252 1.00 11.41 H new ATOM 0 HB3 ASN A 131 -21.520 40.662 -50.260 1.00 11.41 H new ATOM 0 HD21 ASN A 131 -22.149 38.121 -47.708 1.00 41.11 H new ATOM 0 HD22 ASN A 131 -20.927 38.581 -48.898 1.00 41.11 H new ATOM 2062 N TYR A 132 -19.239 41.244 -51.103 1.00 15.44 N ATOM 2063 CA TYR A 132 -18.535 41.733 -52.281 1.00 25.21 C ATOM 2064 C TYR A 132 -19.498 42.421 -53.245 1.00 12.44 C ATOM 2065 O TYR A 132 -20.668 42.593 -52.908 1.00 12.20 O ATOM 2066 CB TYR A 132 -17.823 40.580 -52.991 1.00 32.42 C ATOM 2067 CG TYR A 132 -18.767 39.601 -53.652 1.00 21.01 C ATOM 2068 CD1 TYR A 132 -19.336 38.559 -52.931 1.00 40.33 C ATOM 2069 CD2 TYR A 132 -19.088 39.717 -54.999 1.00 42.23 C ATOM 2070 CE1 TYR A 132 -20.198 37.662 -53.531 1.00 65.32 C ATOM 2071 CE2 TYR A 132 -19.950 38.826 -55.608 1.00 15.41 C ATOM 2072 CZ TYR A 132 -20.502 37.800 -54.870 1.00 31.04 C ATOM 2073 OH TYR A 132 -21.361 36.909 -55.473 1.00 13.15 O ATOM 0 H TYR A 132 -19.675 40.330 -51.222 1.00 15.44 H new ATOM 0 HA TYR A 132 -17.794 42.462 -51.953 1.00 25.21 H new ATOM 0 HB2 TYR A 132 -17.150 40.989 -53.745 1.00 32.42 H new ATOM 0 HB3 TYR A 132 -17.206 40.046 -52.269 1.00 32.42 H new ATOM 0 HD1 TYR A 132 -19.100 38.448 -51.883 1.00 40.33 H new ATOM 0 HD2 TYR A 132 -18.656 40.518 -55.580 1.00 42.23 H new ATOM 0 HE1 TYR A 132 -20.632 36.857 -52.956 1.00 65.32 H new ATOM 0 HE2 TYR A 132 -20.190 38.932 -56.656 1.00 15.41 H new ATOM 0 HH TYR A 132 -21.470 37.148 -56.417 1.00 13.15 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 5.377 10.821 -28.745 1.00 41.52 O HETATM 2085 O2 PC8 A 300 6.701 11.065 -30.848 1.00 1.44 O HETATM 2086 P1 PC8 A 300 5.311 10.670 -30.201 1.00 2.14 P HETATM 2087 O3 PC8 A 300 4.962 9.173 -30.646 1.00 43.34 O HETATM 2088 C1 PC8 A 300 5.742 8.579 -31.702 1.00 32.34 C HETATM 2089 C2 PC8 A 300 7.203 8.240 -31.295 1.00 22.34 C HETATM 2090 N1 PC8 A 300 7.720 6.834 -31.575 1.00 24.43 N HETATM 2091 C3 PC8 A 300 9.149 6.646 -31.118 1.00 63.22 C HETATM 2092 C4 PC8 A 300 6.855 5.875 -30.790 1.00 34.04 C HETATM 2093 C5 PC8 A 300 7.625 6.482 -33.044 1.00 50.42 C HETATM 2094 O4 PC8 A 300 4.200 11.644 -30.820 1.00 63.25 O HETATM 2095 C6 PC8 A 300 3.402 12.422 -29.894 1.00 21.32 C HETATM 2096 C7 PC8 A 300 2.787 13.715 -30.510 1.00 4.45 C HETATM 2097 C8 PC8 A 300 3.493 14.195 -31.800 1.00 73.21 C HETATM 2098 O5 PC8 A 300 2.926 15.430 -32.253 1.00 15.33 O HETATM 2099 C9 PC8 A 300 3.506 16.326 -33.101 1.00 51.21 C HETATM 2100 O6 PC8 A 300 3.490 17.554 -32.842 1.00 41.41 O HETATM 2101 C10 PC8 A 300 4.119 15.790 -34.334 1.00 14.11 C HETATM 2102 C11 PC8 A 300 3.630 16.440 -35.656 1.00 54.54 C HETATM 2103 C12 PC8 A 300 2.993 15.407 -36.622 1.00 32.03 C HETATM 2104 C13 PC8 A 300 4.054 14.571 -37.386 1.00 64.12 C HETATM 2105 C14 PC8 A 300 3.826 14.583 -38.921 1.00 24.32 C HETATM 2106 C15 PC8 A 300 5.147 14.730 -39.721 1.00 13.44 C HETATM 2107 C16 PC8 A 300 5.043 14.159 -41.153 1.00 11.33 C HETATM 2108 O7 PC8 A 300 1.386 13.591 -30.812 1.00 11.41 O HETATM 2109 C17 PC8 A 300 0.384 13.132 -30.003 1.00 33.15 C HETATM 2110 O8 PC8 A 300 -0.571 12.472 -30.481 1.00 32.24 O HETATM 2111 C18 PC8 A 300 0.480 13.413 -28.554 1.00 3.34 C HETATM 2112 C19 PC8 A 300 -0.688 12.863 -27.688 1.00 41.45 C HETATM 2113 C20 PC8 A 300 -0.677 11.314 -27.576 1.00 14.21 C HETATM 2114 C21 PC8 A 300 -1.582 10.797 -26.425 1.00 64.02 C HETATM 2115 C22 PC8 A 300 -1.145 11.318 -25.030 1.00 42.44 C HETATM 2116 C23 PC8 A 300 -1.764 10.497 -23.868 1.00 4.13 C HETATM 2117 C24 PC8 A 300 -3.305 10.596 -23.815 1.00 52.52 C HETATM 0 H9 PC8 A 300 5.818 5.973 -31.112 1.00 34.04 H new HETATM 0 H8 PC8 A 300 7.194 4.854 -30.964 1.00 34.04 H new HETATM 0 H7 PC8 A 300 9.794 7.353 -31.640 1.00 63.22 H new HETATM 0 H6 PC8 A 300 9.214 6.821 -30.044 1.00 63.22 H new HETATM 0 H5 PC8 A 300 9.471 5.628 -31.340 1.00 63.22 H new HETATM 0 H48 PC8 A 300 -3.598 11.637 -23.678 1.00 52.52 H new HETATM 0 H47 PC8 A 300 -3.726 10.220 -24.747 1.00 52.52 H new HETATM 0 H46 PC8 A 300 -3.679 10.001 -22.982 1.00 52.52 H new HETATM 0 H45 PC8 A 300 -1.476 9.451 -23.975 1.00 4.13 H new HETATM 0 H44 PC8 A 300 -1.350 10.847 -22.922 1.00 4.13 H new HETATM 0 H43 PC8 A 300 -0.058 11.283 -24.957 1.00 42.44 H new HETATM 0 H42 PC8 A 300 -1.437 12.363 -24.928 1.00 42.44 H new HETATM 0 H41 PC8 A 300 -2.611 11.102 -26.615 1.00 64.02 H new HETATM 0 H40 PC8 A 300 -1.568 9.707 -26.421 1.00 64.02 H new HETATM 0 H4 PC8 A 300 7.862 8.944 -31.802 1.00 22.34 H new HETATM 0 H39 PC8 A 300 -1.011 10.882 -28.519 1.00 14.21 H new HETATM 0 H38 PC8 A 300 0.345 10.972 -27.413 1.00 14.21 H new HETATM 0 H37 PC8 A 300 -0.628 13.295 -26.689 1.00 41.45 H new HETATM 0 H36 PC8 A 300 -1.636 13.185 -28.119 1.00 41.45 H new HETATM 0 H35 PC8 A 300 1.415 12.994 -28.181 1.00 3.34 H new HETATM 0 H34 PC8 A 300 0.537 14.492 -28.414 1.00 3.34 H new HETATM 0 H33 PC8 A 300 4.798 13.098 -41.105 1.00 11.33 H new HETATM 0 H32 PC8 A 300 4.261 14.687 -41.699 1.00 11.33 H new HETATM 0 H31 PC8 A 300 5.996 14.289 -41.667 1.00 11.33 H new HETATM 0 H30 PC8 A 300 5.420 15.784 -39.773 1.00 13.44 H new HETATM 0 H3 PC8 A 300 7.302 8.424 -30.225 1.00 22.34 H new HETATM 0 H29 PC8 A 300 5.949 14.219 -39.188 1.00 13.44 H new HETATM 0 H28 PC8 A 300 3.327 13.660 -39.217 1.00 24.32 H new HETATM 0 H27 PC8 A 300 3.157 15.404 -39.178 1.00 24.32 H new HETATM 0 H26 PC8 A 300 5.047 14.962 -37.166 1.00 64.12 H new HETATM 0 H25 PC8 A 300 4.030 13.542 -37.026 1.00 64.12 H new HETATM 0 H24 PC8 A 300 2.346 14.737 -36.056 1.00 32.03 H new HETATM 0 H23 PC8 A 300 2.361 15.929 -37.340 1.00 32.03 H new HETATM 0 H22 PC8 A 300 2.901 17.218 -35.428 1.00 54.54 H new HETATM 0 H21 PC8 A 300 4.470 16.926 -36.151 1.00 54.54 H new HETATM 0 H20 PC8 A 300 5.200 15.914 -34.266 1.00 14.11 H new HETATM 0 H2 PC8 A 300 5.248 7.667 -32.036 1.00 32.34 H new HETATM 0 H19 PC8 A 300 3.923 14.719 -34.381 1.00 14.11 H new HETATM 0 H18 PC8 A 300 4.559 14.325 -31.611 1.00 73.21 H new HETATM 0 H17 PC8 A 300 3.397 13.437 -32.578 1.00 73.21 H new HETATM 0 H16 PC8 A 300 2.937 14.452 -29.721 1.00 4.45 H new HETATM 0 H15 PC8 A 300 2.596 11.796 -29.512 1.00 21.32 H new HETATM 0 H14 PC8 A 300 4.022 12.699 -29.041 1.00 21.32 H new HETATM 0 H13 PC8 A 300 6.584 6.534 -33.364 1.00 50.42 H new HETATM 0 H12 PC8 A 300 8.219 7.187 -33.626 1.00 50.42 H new HETATM 0 H11 PC8 A 300 8.003 5.472 -33.201 1.00 50.42 H new HETATM 0 H10 PC8 A 300 6.928 6.106 -29.727 1.00 34.04 H new HETATM 0 H1 PC8 A 300 5.761 9.260 -32.553 1.00 32.34 H new