USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 LYS NZ :NH3+ -152:sc= -0.224 (180deg=-1.07) USER MOD Set 1.2: A 112 ASN : amide:sc= -0.919 K(o=-1.1,f=-2.6) USER MOD Set 2.1: A 49 CYS SG : rot 20:sc= -4.5! USER MOD Set 2.2: A 53 LYS NZ :NH3+ 160:sc= -7.46! (180deg=-0.814) USER MOD Set 2.3: A 107 GLN : amide:sc= -6.03! K(o=-18!,f=-11) USER MOD Set 3.1: A 99 THR OG1 : rot 123:sc= 0.00268 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.00282 USER MOD Set 4.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 86 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 42 ASN : amide:sc= -3.39! C(o=-7.8!,f=-7.3!) USER MOD Set 5.2: A 82 ASN : amide:sc= -4.44! C(o=-7.8!,f=-9.2!) USER MOD Set 6.1: A 12 LYS NZ :NH3+ 160:sc= -0.258 (180deg=-1.04) USER MOD Set 6.2: A 16 SER OG : rot 180:sc= -2.88! USER MOD Set 6.3: A 19 ASN : amide:sc= -3.29! C(o=-6.4!,f=-4.4!) USER MOD Single : A 6 SER OG : rot 86:sc= -1.55! USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.31 (180deg=-0.751) USER MOD Single : A 22 ASN : amide:sc= -2.73! K(o=-2.7!,f=-0.98) USER MOD Single : A 23 HIS : no HD1:sc= -3.12 K(o=-3.1,f=-4!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.218 USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= -1.32 (180deg=-2.46) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0693 (180deg=-0.448) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -34:sc= 0.291 USER MOD Single : A 52 TYR OH : rot 2:sc= -0.208 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0344) USER MOD Single : A 62 SER OG : rot 180:sc= -0.468 USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= -2.89! (180deg=-6!) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc=-0.00918 (180deg=-0.319) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.179 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0.255 (180deg=0.252) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -60:sc= 0.842 USER MOD Single : A 94 ASN : amide:sc= -1.05 K(o=-1,f=-2.2!) USER MOD Single : A 95 MET CE :methyl 162:sc= -0.0815 (180deg=-0.915) USER MOD Single : A 102 CYS SG : rot -103:sc= 0.0413 USER MOD Single : A 109 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.556) USER MOD Single : A 114 MET CE :methyl -107:sc= -0.947 (180deg=-3.83!) USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= -0.0307 (180deg=-0.401) USER MOD Single : A 118 SER OG : rot -39:sc= -0.0617 USER MOD Single : A 119 TYR OH : rot -150:sc= -3.16! USER MOD Single : A 124 LYS NZ :NH3+ 158:sc= -0.129 (180deg=-0.746) USER MOD Single : A 125 SER OG : rot -33:sc= 0.27 USER MOD Single : A 128 TYR OH : rot 180:sc= -0.0794 USER MOD Single : A 132 THR OG1 : rot -33:sc= 0.236 USER MOD Single : A 133 ASN : amide:sc= -3.36 K(o=-3.4,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -6.811 2.277 -12.882 1.00 17.32 N ATOM 2 CA VAL A 5 -7.522 1.764 -11.670 1.00 16.53 C ATOM 3 C VAL A 5 -9.029 1.977 -11.834 1.00 15.62 C ATOM 4 O VAL A 5 -9.476 3.049 -12.188 1.00 15.21 O ATOM 5 CB VAL A 5 -7.026 2.545 -10.454 1.00 17.91 C ATOM 6 CG1 VAL A 5 -7.824 2.127 -9.219 1.00 18.70 C ATOM 7 CG2 VAL A 5 -5.536 2.257 -10.231 1.00 17.86 C ATOM 0 HA VAL A 5 -7.324 0.700 -11.540 1.00 16.53 H new ATOM 0 HB VAL A 5 -7.163 3.612 -10.627 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.470 2.684 -8.351 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -8.881 2.339 -9.380 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -7.691 1.059 -9.044 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -5.183 2.815 -9.363 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -5.393 1.190 -10.059 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -4.971 2.561 -11.112 1.00 17.86 H new ATOM 17 N SER A 6 -9.815 0.965 -11.581 1.00 15.43 N ATOM 18 CA SER A 6 -11.293 1.110 -11.726 1.00 14.66 C ATOM 19 C SER A 6 -11.868 1.862 -10.520 1.00 13.40 C ATOM 20 O SER A 6 -11.252 1.965 -9.480 1.00 12.58 O ATOM 21 CB SER A 6 -11.934 -0.275 -11.832 1.00 15.49 C ATOM 22 OG SER A 6 -11.797 -0.955 -10.594 1.00 15.97 O ATOM 0 H SER A 6 -9.498 0.044 -11.280 1.00 15.43 H new ATOM 0 HA SER A 6 -11.511 1.678 -12.630 1.00 14.66 H new ATOM 0 HB2 SER A 6 -12.988 -0.181 -12.093 1.00 15.49 H new ATOM 0 HB3 SER A 6 -11.459 -0.848 -12.628 1.00 15.49 H new ATOM 0 HG SER A 6 -12.542 -0.714 -10.004 1.00 15.97 H new ATOM 28 N GLN A 7 -13.047 2.401 -10.674 1.00 13.37 N ATOM 29 CA GLN A 7 -13.698 3.173 -9.575 1.00 12.23 C ATOM 30 C GLN A 7 -13.966 2.284 -8.353 1.00 11.36 C ATOM 31 O GLN A 7 -13.923 2.728 -7.224 1.00 10.97 O ATOM 32 CB GLN A 7 -15.026 3.724 -10.085 1.00 13.19 C ATOM 33 CG GLN A 7 -14.756 4.820 -11.113 1.00 13.36 C ATOM 34 CD GLN A 7 -16.085 5.370 -11.619 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.790 4.708 -12.357 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.467 6.552 -11.237 1.00 13.77 N ATOM 0 H GLN A 7 -13.597 2.338 -11.531 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.030 3.980 -9.274 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -15.616 2.925 -10.535 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.610 4.123 -9.256 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.165 5.619 -10.664 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.174 4.421 -11.944 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.874 7.105 -10.618 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.360 6.927 -11.556 1.00 13.77 H new ATOM 45 N GLU A 8 -14.282 1.045 -8.571 1.00 13.01 N ATOM 46 CA GLU A 8 -14.595 0.138 -7.430 1.00 12.24 C ATOM 47 C GLU A 8 -13.389 -0.036 -6.499 1.00 11.73 C ATOM 48 O GLU A 8 -13.536 -0.080 -5.294 1.00 11.71 O ATOM 49 CB GLU A 8 -15.038 -1.216 -7.980 1.00 13.27 C ATOM 50 CG GLU A 8 -16.413 -1.066 -8.638 1.00 13.55 C ATOM 51 CD GLU A 8 -16.840 -2.409 -9.231 1.00 14.55 C ATOM 52 OE1 GLU A 8 -15.998 -3.289 -9.316 1.00 15.06 O ATOM 53 OE2 GLU A 8 -17.995 -2.531 -9.601 1.00 14.92 O ATOM 0 H GLU A 8 -14.339 0.614 -9.494 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.397 0.583 -6.841 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.312 -1.582 -8.706 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.084 -1.951 -7.176 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.145 -0.731 -7.904 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -16.374 -0.307 -9.419 1.00 13.55 H new ATOM 60 N GLU A 9 -12.200 -0.149 -7.022 1.00 11.46 N ATOM 61 CA GLU A 9 -11.026 -0.342 -6.117 1.00 11.12 C ATOM 62 C GLU A 9 -10.739 0.937 -5.320 1.00 10.28 C ATOM 63 O GLU A 9 -10.498 0.878 -4.130 1.00 10.32 O ATOM 64 CB GLU A 9 -9.792 -0.744 -6.944 1.00 12.40 C ATOM 65 CG GLU A 9 -9.818 -2.256 -7.239 1.00 13.24 C ATOM 66 CD GLU A 9 -11.223 -2.700 -7.665 1.00 14.08 C ATOM 67 OE1 GLU A 9 -11.812 -2.027 -8.495 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.682 -3.709 -7.150 1.00 14.68 O ATOM 0 H GLU A 9 -11.989 -0.117 -8.019 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.257 -1.138 -5.410 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -9.774 -0.184 -7.879 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -8.882 -0.488 -6.401 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -9.102 -2.490 -8.027 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -9.509 -2.810 -6.353 1.00 13.24 H new ATOM 75 N VAL A 10 -10.775 2.091 -5.931 1.00 9.75 N ATOM 76 CA VAL A 10 -10.510 3.328 -5.138 1.00 9.10 C ATOM 77 C VAL A 10 -11.553 3.417 -4.033 1.00 7.91 C ATOM 78 O VAL A 10 -11.250 3.740 -2.902 1.00 7.70 O ATOM 79 CB VAL A 10 -10.567 4.583 -6.024 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.307 4.657 -6.887 1.00 11.69 C ATOM 81 CG2 VAL A 10 -11.790 4.530 -6.932 1.00 11.17 C ATOM 0 H VAL A 10 -10.972 2.231 -6.922 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.508 3.276 -4.713 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.631 5.463 -5.384 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.348 5.547 -7.515 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.428 4.707 -6.244 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.246 3.770 -7.518 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -11.820 5.424 -7.555 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -11.733 3.647 -7.568 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.693 4.481 -6.324 1.00 11.17 H new ATOM 91 N LYS A 11 -12.779 3.101 -4.333 1.00 7.38 N ATOM 92 CA LYS A 11 -13.813 3.136 -3.271 1.00 6.32 C ATOM 93 C LYS A 11 -13.409 2.151 -2.177 1.00 5.68 C ATOM 94 O LYS A 11 -13.532 2.431 -1.002 1.00 5.93 O ATOM 95 CB LYS A 11 -15.175 2.748 -3.841 1.00 8.26 C ATOM 96 CG LYS A 11 -15.685 3.858 -4.767 1.00 8.64 C ATOM 97 CD LYS A 11 -17.051 3.460 -5.332 1.00 9.23 C ATOM 98 CE LYS A 11 -17.528 4.521 -6.338 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.008 5.861 -5.940 1.00 10.51 N ATOM 0 H LYS A 11 -13.106 2.823 -5.258 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.889 4.144 -2.864 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.096 1.810 -4.391 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.885 2.583 -3.031 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.765 4.796 -4.218 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -14.977 4.023 -5.579 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -16.984 2.488 -5.820 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.775 3.361 -4.523 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.181 4.268 -7.340 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.617 4.539 -6.373 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.537 6.602 -6.443 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.125 5.988 -4.914 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.999 5.929 -6.185 1.00 10.51 H new ATOM 113 N LYS A 12 -12.904 1.005 -2.551 1.00 5.08 N ATOM 114 CA LYS A 12 -12.477 0.024 -1.519 1.00 4.72 C ATOM 115 C LYS A 12 -11.254 0.575 -0.786 1.00 4.34 C ATOM 116 O LYS A 12 -11.052 0.308 0.382 1.00 4.65 O ATOM 117 CB LYS A 12 -12.141 -1.318 -2.167 1.00 6.91 C ATOM 118 CG LYS A 12 -13.432 -1.971 -2.667 1.00 7.86 C ATOM 119 CD LYS A 12 -13.107 -3.209 -3.517 1.00 8.86 C ATOM 120 CE LYS A 12 -12.450 -4.297 -2.658 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.208 -4.459 -1.384 1.00 10.82 N ATOM 0 H LYS A 12 -12.771 0.710 -3.518 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.290 -0.133 -0.810 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.448 -1.172 -2.996 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.645 -1.969 -1.447 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.055 -2.256 -1.820 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.005 -1.256 -3.257 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.020 -3.597 -3.968 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.441 -2.931 -4.334 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.430 -5.241 -3.203 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.415 -4.030 -2.445 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -12.991 -5.387 -0.967 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -12.934 -3.708 -0.719 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.228 -4.396 -1.577 1.00 10.82 H new ATOM 135 N TRP A 13 -10.444 1.364 -1.451 1.00 4.15 N ATOM 136 CA TRP A 13 -9.253 1.937 -0.758 1.00 3.58 C ATOM 137 C TRP A 13 -9.743 2.771 0.416 1.00 2.38 C ATOM 138 O TRP A 13 -9.119 2.838 1.439 1.00 2.83 O ATOM 139 CB TRP A 13 -8.458 2.858 -1.690 1.00 4.70 C ATOM 140 CG TRP A 13 -7.929 2.109 -2.867 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.088 0.787 -3.109 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.151 2.638 -3.974 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.454 0.476 -4.299 1.00 5.86 N ATOM 144 CE2 TRP A 13 -6.865 1.588 -4.869 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.673 3.925 -4.282 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.129 1.805 -6.029 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -5.934 4.147 -5.452 1.00 5.91 C ATOM 148 CH2 TRP A 13 -5.661 3.088 -6.324 1.00 6.26 C ATOM 0 H TRP A 13 -10.555 1.631 -2.429 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.609 1.118 -0.436 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.096 3.673 -2.031 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.631 3.309 -1.141 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.621 0.091 -2.478 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.425 -0.459 -4.705 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -6.877 4.747 -3.612 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -5.920 0.985 -6.699 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.574 5.139 -5.681 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.089 3.262 -7.224 1.00 6.26 H new ATOM 159 N ALA A 14 -10.865 3.415 0.281 1.00 0.01 N ATOM 160 CA ALA A 14 -11.373 4.238 1.409 1.00 0.01 C ATOM 161 C ALA A 14 -12.022 3.319 2.444 1.00 0.01 C ATOM 162 O ALA A 14 -12.376 3.738 3.527 1.00 0.01 O ATOM 163 CB ALA A 14 -12.411 5.233 0.887 1.00 0.00 C ATOM 0 H ALA A 14 -11.449 3.408 -0.555 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.549 4.784 1.867 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.784 5.837 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.950 5.882 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.239 4.690 0.432 1.00 0.00 H new ATOM 169 N GLU A 15 -12.188 2.062 2.113 1.00 0.01 N ATOM 170 CA GLU A 15 -12.824 1.108 3.073 1.00 0.01 C ATOM 171 C GLU A 15 -11.759 0.380 3.912 1.00 0.01 C ATOM 172 O GLU A 15 -12.031 -0.049 5.017 1.00 0.01 O ATOM 173 CB GLU A 15 -13.635 0.074 2.289 1.00 0.01 C ATOM 174 CG GLU A 15 -14.818 0.768 1.615 1.00 0.01 C ATOM 175 CD GLU A 15 -15.623 -0.253 0.809 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.319 -1.430 0.909 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.529 0.161 0.105 1.00 0.01 O ATOM 0 H GLU A 15 -11.910 1.656 1.220 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.472 1.671 3.745 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -13.006 -0.407 1.540 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.991 -0.710 2.958 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.454 1.236 2.366 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.461 1.563 0.960 1.00 0.01 H new ATOM 184 N SER A 16 -10.552 0.227 3.407 1.00 0.01 N ATOM 185 CA SER A 16 -9.499 -0.493 4.202 1.00 0.01 C ATOM 186 C SER A 16 -8.131 -0.439 3.498 1.00 0.00 C ATOM 187 O SER A 16 -8.037 -0.499 2.288 1.00 0.00 O ATOM 188 CB SER A 16 -9.905 -1.957 4.360 1.00 0.01 C ATOM 189 OG SER A 16 -10.197 -2.499 3.078 1.00 0.01 O ATOM 0 H SER A 16 -10.254 0.564 2.492 1.00 0.01 H new ATOM 0 HA SER A 16 -9.414 -0.004 5.173 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.101 -2.521 4.833 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.776 -2.038 5.010 1.00 0.01 H new ATOM 0 HG SER A 16 -10.457 -3.439 3.172 1.00 0.01 H new ATOM 195 N LEU A 17 -7.070 -0.347 4.267 1.00 0.00 N ATOM 196 CA LEU A 17 -5.690 -0.300 3.685 1.00 0.00 C ATOM 197 C LEU A 17 -5.395 -1.565 2.870 1.00 0.01 C ATOM 198 O LEU A 17 -4.782 -1.501 1.823 1.00 0.00 O ATOM 199 CB LEU A 17 -4.673 -0.172 4.828 1.00 0.01 C ATOM 200 CG LEU A 17 -3.238 -0.191 4.277 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.030 0.952 3.273 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.249 -0.033 5.437 1.00 0.00 C ATOM 0 H LEU A 17 -7.103 -0.302 5.285 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.617 0.558 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.847 0.755 5.375 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.808 -0.990 5.536 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.070 -1.140 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.008 0.922 2.894 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.728 0.839 2.444 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.206 1.907 3.768 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.230 -0.046 5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.432 0.914 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.380 -0.854 6.142 1.00 0.00 H new ATOM 214 N GLU A 18 -5.808 -2.711 3.336 1.00 0.01 N ATOM 215 CA GLU A 18 -5.527 -3.967 2.582 1.00 0.00 C ATOM 216 C GLU A 18 -6.055 -3.862 1.150 1.00 0.00 C ATOM 217 O GLU A 18 -5.437 -4.342 0.220 1.00 0.01 O ATOM 218 CB GLU A 18 -6.208 -5.143 3.279 1.00 0.01 C ATOM 219 CG GLU A 18 -5.500 -5.431 4.603 1.00 0.01 C ATOM 220 CD GLU A 18 -6.182 -6.609 5.301 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.193 -7.066 4.796 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.681 -7.033 6.328 1.00 0.01 O ATOM 0 H GLU A 18 -6.327 -2.833 4.205 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.448 -4.122 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.259 -4.914 3.458 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.179 -6.025 2.639 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.449 -5.660 4.424 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.529 -4.549 5.243 1.00 0.01 H new ATOM 229 N ASN A 19 -7.187 -3.249 0.956 1.00 0.01 N ATOM 230 CA ASN A 19 -7.731 -3.137 -0.428 1.00 0.00 C ATOM 231 C ASN A 19 -6.730 -2.370 -1.300 1.00 0.00 C ATOM 232 O ASN A 19 -6.413 -2.772 -2.406 1.00 0.01 O ATOM 233 CB ASN A 19 -9.054 -2.373 -0.386 1.00 0.01 C ATOM 234 CG ASN A 19 -10.120 -3.240 0.287 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.008 -4.450 0.307 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.154 -2.671 0.846 1.00 0.01 N ATOM 0 H ASN A 19 -7.757 -2.823 1.687 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.894 -4.131 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.930 -1.439 0.162 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.367 -2.111 -1.396 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.867 -3.242 1.299 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.248 -1.656 0.829 1.00 0.01 H new ATOM 243 N LEU A 20 -6.217 -1.281 -0.803 1.00 0.00 N ATOM 244 CA LEU A 20 -5.225 -0.496 -1.589 1.00 0.01 C ATOM 245 C LEU A 20 -4.009 -1.382 -1.874 1.00 0.01 C ATOM 246 O LEU A 20 -3.461 -1.377 -2.959 1.00 0.00 O ATOM 247 CB LEU A 20 -4.809 0.730 -0.758 1.00 0.00 C ATOM 248 CG LEU A 20 -3.762 1.594 -1.491 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.416 2.374 -2.633 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.165 2.595 -0.498 1.00 0.01 C ATOM 0 H LEU A 20 -6.442 -0.899 0.116 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.653 -0.165 -2.535 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.689 1.335 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.402 0.400 0.198 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.989 0.942 -1.898 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.663 2.978 -3.139 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.859 1.676 -3.343 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.193 3.024 -2.231 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.423 3.212 -1.005 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -3.957 3.231 -0.102 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.690 2.055 0.321 1.00 0.01 H new ATOM 262 N ILE A 21 -3.582 -2.133 -0.898 1.00 0.01 N ATOM 263 CA ILE A 21 -2.394 -3.018 -1.084 1.00 0.00 C ATOM 264 C ILE A 21 -2.773 -4.302 -1.838 1.00 0.00 C ATOM 265 O ILE A 21 -1.919 -4.988 -2.363 1.00 0.00 O ATOM 266 CB ILE A 21 -1.834 -3.397 0.290 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.406 -2.136 1.040 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.622 -4.316 0.122 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.095 -2.499 2.491 1.00 0.01 C ATOM 0 H ILE A 21 -4.007 -2.173 0.028 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.649 -2.478 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.608 -3.915 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.529 -1.696 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.198 -1.388 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.228 -4.582 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.922 -5.221 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.149 -3.800 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.789 -1.604 3.032 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.985 -2.920 2.959 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.289 -3.233 2.518 1.00 0.01 H new ATOM 281 N ASN A 22 -4.033 -4.662 -1.867 1.00 0.00 N ATOM 282 CA ASN A 22 -4.433 -5.937 -2.552 1.00 0.01 C ATOM 283 C ASN A 22 -4.778 -5.718 -4.027 1.00 0.01 C ATOM 284 O ASN A 22 -4.965 -6.667 -4.762 1.00 0.01 O ATOM 285 CB ASN A 22 -5.649 -6.530 -1.840 1.00 0.01 C ATOM 286 CG ASN A 22 -5.232 -7.051 -0.464 1.00 0.01 C ATOM 287 OD1 ASN A 22 -6.067 -7.422 0.336 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.964 -7.093 -0.148 1.00 0.01 N ATOM 0 H ASN A 22 -4.799 -4.134 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.583 -6.618 -2.505 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.426 -5.773 -1.734 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -6.072 -7.340 -2.434 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -3.678 -7.437 0.769 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -3.261 -6.782 -0.818 1.00 0.01 H new ATOM 295 N HIS A 23 -4.863 -4.500 -4.486 1.00 0.01 N ATOM 296 CA HIS A 23 -5.195 -4.291 -5.931 1.00 0.01 C ATOM 297 C HIS A 23 -3.900 -4.271 -6.748 1.00 0.01 C ATOM 298 O HIS A 23 -2.973 -3.546 -6.449 1.00 0.01 O ATOM 299 CB HIS A 23 -5.942 -2.967 -6.110 1.00 0.00 C ATOM 300 CG HIS A 23 -6.376 -2.828 -7.550 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.650 -3.928 -8.348 1.00 0.01 N ATOM 302 CD2 HIS A 23 -6.593 -1.729 -8.346 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.011 -3.465 -9.562 1.00 0.01 C ATOM 304 NE2 HIS A 23 -6.994 -2.135 -9.612 1.00 0.01 N ATOM 0 H HIS A 23 -4.721 -3.652 -3.938 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.833 -5.104 -6.277 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.810 -2.935 -5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.299 -2.133 -5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.470 -0.703 -8.034 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.282 -4.098 -10.394 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -7.226 -1.542 -10.409 1.00 0.01 H new ATOM 312 N GLU A 24 -3.835 -5.078 -7.774 1.00 0.01 N ATOM 313 CA GLU A 24 -2.606 -5.137 -8.623 1.00 0.01 C ATOM 314 C GLU A 24 -2.302 -3.752 -9.181 1.00 0.01 C ATOM 315 O GLU A 24 -1.158 -3.336 -9.254 1.00 0.01 O ATOM 316 CB GLU A 24 -2.853 -6.119 -9.777 1.00 0.01 C ATOM 317 CG GLU A 24 -1.623 -6.210 -10.693 1.00 0.01 C ATOM 318 CD GLU A 24 -0.437 -6.783 -9.918 1.00 0.01 C ATOM 319 OE1 GLU A 24 -0.660 -7.354 -8.865 1.00 0.01 O ATOM 320 OE2 GLU A 24 0.678 -6.650 -10.398 1.00 0.00 O ATOM 0 H GLU A 24 -4.586 -5.704 -8.063 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.757 -5.472 -8.027 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.087 -7.105 -9.377 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.719 -5.796 -10.355 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.846 -6.841 -11.553 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.373 -5.222 -11.079 1.00 0.01 H new ATOM 327 N CYS A 25 -3.308 -3.030 -9.573 1.00 0.01 N ATOM 328 CA CYS A 25 -3.068 -1.674 -10.128 1.00 0.01 C ATOM 329 C CYS A 25 -2.894 -0.692 -8.971 1.00 0.01 C ATOM 330 O CYS A 25 -2.107 0.230 -9.050 1.00 0.00 O ATOM 331 CB CYS A 25 -4.257 -1.265 -11.001 1.00 0.01 C ATOM 332 SG CYS A 25 -3.751 0.062 -12.123 1.00 0.00 S ATOM 0 H CYS A 25 -4.285 -3.319 -9.534 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.167 -1.670 -10.741 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.615 -2.122 -11.572 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.084 -0.931 -10.375 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.759 0.409 -12.867 1.00 0.00 H new ATOM 338 N GLY A 26 -3.586 -0.892 -7.881 1.00 0.01 N ATOM 339 CA GLY A 26 -3.394 0.030 -6.729 1.00 0.01 C ATOM 340 C GLY A 26 -1.934 -0.063 -6.318 1.00 0.01 C ATOM 341 O GLY A 26 -1.295 0.926 -6.020 1.00 0.01 O ATOM 0 H GLY A 26 -4.264 -1.641 -7.741 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.651 1.052 -7.007 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.045 -0.248 -5.901 1.00 0.01 H new ATOM 345 N LEU A 27 -1.385 -1.247 -6.335 1.00 0.01 N ATOM 346 CA LEU A 27 0.046 -1.391 -5.984 1.00 0.00 C ATOM 347 C LEU A 27 0.850 -0.556 -6.973 1.00 0.00 C ATOM 348 O LEU A 27 1.737 0.182 -6.600 1.00 0.00 O ATOM 349 CB LEU A 27 0.467 -2.864 -6.076 1.00 0.00 C ATOM 350 CG LEU A 27 -0.164 -3.681 -4.938 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.060 -5.173 -5.214 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.490 -3.317 -3.590 1.00 0.01 C ATOM 0 H LEU A 27 -1.867 -2.113 -6.576 1.00 0.01 H new ATOM 0 HA LEU A 27 0.224 -1.052 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.162 -3.275 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.553 -2.941 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.230 -3.458 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.384 -5.762 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.406 -5.442 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.130 -5.377 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.033 -3.904 -2.793 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.557 -3.534 -3.633 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.343 -2.256 -3.389 1.00 0.01 H new ATOM 364 N ALA A 28 0.529 -0.643 -8.239 1.00 0.00 N ATOM 365 CA ALA A 28 1.269 0.180 -9.234 1.00 0.00 C ATOM 366 C ALA A 28 1.077 1.651 -8.871 1.00 0.01 C ATOM 367 O ALA A 28 2.005 2.434 -8.892 1.00 0.00 O ATOM 368 CB ALA A 28 0.720 -0.080 -10.635 1.00 0.00 C ATOM 0 H ALA A 28 -0.204 -1.241 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 28 2.328 -0.079 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.266 0.526 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.838 -1.135 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.337 0.183 -10.666 1.00 0.00 H new ATOM 374 N ALA A 29 -0.122 2.022 -8.512 1.00 0.00 N ATOM 375 CA ALA A 29 -0.375 3.434 -8.119 1.00 0.01 C ATOM 376 C ALA A 29 0.335 3.697 -6.795 1.00 0.00 C ATOM 377 O ALA A 29 0.912 4.744 -6.580 1.00 0.00 O ATOM 378 CB ALA A 29 -1.879 3.654 -7.930 1.00 0.01 C ATOM 0 H ALA A 29 -0.935 1.408 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.007 4.108 -8.893 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.062 4.689 -7.642 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.398 3.440 -8.864 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.249 2.989 -7.149 1.00 0.01 H new ATOM 384 N PHE A 30 0.286 2.747 -5.902 1.00 0.00 N ATOM 385 CA PHE A 30 0.950 2.925 -4.586 1.00 0.00 C ATOM 386 C PHE A 30 2.454 3.100 -4.788 1.00 0.00 C ATOM 387 O PHE A 30 3.056 3.992 -4.235 1.00 0.00 O ATOM 388 CB PHE A 30 0.681 1.700 -3.702 1.00 0.00 C ATOM 389 CG PHE A 30 1.134 1.995 -2.289 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.503 3.001 -1.555 1.00 0.00 C ATOM 391 CD2 PHE A 30 2.193 1.279 -1.720 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.929 3.302 -0.257 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.618 1.574 -0.416 1.00 0.00 C ATOM 394 CZ PHE A 30 1.987 2.588 0.313 1.00 0.00 C ATOM 0 H PHE A 30 -0.188 1.853 -6.030 1.00 0.00 H new ATOM 0 HA PHE A 30 0.550 3.813 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.381 1.456 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.211 0.832 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.318 3.550 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.683 0.500 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.441 4.085 0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.432 1.018 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.317 2.819 1.315 1.00 0.00 H new ATOM 404 N LYS A 31 3.073 2.263 -5.577 1.00 0.00 N ATOM 405 CA LYS A 31 4.544 2.403 -5.786 1.00 0.00 C ATOM 406 C LYS A 31 4.835 3.796 -6.343 1.00 0.00 C ATOM 407 O LYS A 31 5.783 4.443 -5.949 1.00 0.00 O ATOM 408 CB LYS A 31 5.018 1.346 -6.782 1.00 0.00 C ATOM 409 CG LYS A 31 4.930 -0.037 -6.133 1.00 0.00 C ATOM 410 CD LYS A 31 5.403 -1.105 -7.121 1.00 0.00 C ATOM 411 CE LYS A 31 5.296 -2.483 -6.465 1.00 0.01 C ATOM 412 NZ LYS A 31 3.911 -2.671 -5.952 1.00 0.00 N ATOM 0 H LYS A 31 2.629 1.495 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 31 5.068 2.267 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.405 1.377 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.044 1.552 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.543 -0.065 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.904 -0.241 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.797 -1.073 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.433 -0.910 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.539 -3.263 -7.187 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.014 -2.568 -5.649 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.616 -3.657 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.885 -2.454 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.264 -2.034 -6.459 1.00 0.00 H new ATOM 426 N ALA A 32 4.014 4.277 -7.236 1.00 0.00 N ATOM 427 CA ALA A 32 4.249 5.641 -7.782 1.00 0.00 C ATOM 428 C ALA A 32 4.044 6.641 -6.646 1.00 0.01 C ATOM 429 O ALA A 32 4.820 7.555 -6.451 1.00 0.00 O ATOM 430 CB ALA A 32 3.243 5.923 -8.903 1.00 0.00 C ATOM 0 H ALA A 32 3.199 3.789 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 32 5.258 5.724 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.415 6.922 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.368 5.187 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.230 5.860 -8.507 1.00 0.00 H new ATOM 436 N PHE A 33 3.005 6.451 -5.886 1.00 0.00 N ATOM 437 CA PHE A 33 2.724 7.354 -4.738 1.00 0.00 C ATOM 438 C PHE A 33 3.882 7.333 -3.740 1.00 0.00 C ATOM 439 O PHE A 33 4.248 8.346 -3.180 1.00 0.00 O ATOM 440 CB PHE A 33 1.448 6.905 -4.044 1.00 0.00 C ATOM 441 CG PHE A 33 1.184 7.816 -2.874 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.420 8.977 -3.040 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.703 7.492 -1.616 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.175 9.813 -1.945 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.459 8.328 -0.522 1.00 0.00 C ATOM 446 CZ PHE A 33 0.696 9.488 -0.686 1.00 0.00 C ATOM 0 H PHE A 33 2.329 5.698 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 33 2.605 8.371 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.610 6.933 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.546 5.874 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.020 9.227 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.292 6.596 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.416 10.708 -2.070 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.860 8.078 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.508 10.134 0.159 1.00 0.00 H new ATOM 456 N LEU A 34 4.453 6.188 -3.496 1.00 0.00 N ATOM 457 CA LEU A 34 5.575 6.121 -2.515 1.00 0.00 C ATOM 458 C LEU A 34 6.701 7.022 -3.002 1.00 0.00 C ATOM 459 O LEU A 34 7.336 7.709 -2.228 1.00 0.00 O ATOM 460 CB LEU A 34 6.114 4.694 -2.424 1.00 0.00 C ATOM 461 CG LEU A 34 5.092 3.765 -1.745 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.569 2.298 -1.842 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.906 4.164 -0.267 1.00 0.00 C ATOM 0 H LEU A 34 4.196 5.301 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 34 5.212 6.437 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.342 4.322 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.047 4.688 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 34 4.134 3.863 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.841 1.646 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.669 2.017 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.534 2.195 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.180 3.499 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.860 4.085 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.546 5.191 -0.210 1.00 0.00 H new ATOM 475 N LYS A 35 6.953 7.027 -4.279 1.00 0.00 N ATOM 476 CA LYS A 35 8.041 7.892 -4.810 1.00 0.00 C ATOM 477 C LYS A 35 7.732 9.343 -4.440 1.00 0.01 C ATOM 478 O LYS A 35 8.614 10.111 -4.108 1.00 0.00 O ATOM 479 CB LYS A 35 8.107 7.742 -6.329 1.00 0.00 C ATOM 480 CG LYS A 35 8.501 6.305 -6.670 1.00 0.00 C ATOM 481 CD LYS A 35 8.571 6.139 -8.189 1.00 0.00 C ATOM 482 CE LYS A 35 8.955 4.696 -8.529 1.00 0.00 C ATOM 483 NZ LYS A 35 10.318 4.404 -8.006 1.00 0.01 N ATOM 0 H LYS A 35 6.456 6.473 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 35 9.001 7.601 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.141 7.983 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.833 8.440 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.466 6.066 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.774 5.609 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.608 6.385 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.303 6.829 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.232 4.005 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.929 4.547 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.706 3.572 -8.495 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.937 5.223 -8.172 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 10.264 4.212 -6.985 1.00 0.01 H new ATOM 497 N SER A 36 6.481 9.721 -4.482 1.00 0.00 N ATOM 498 CA SER A 36 6.111 11.118 -4.115 1.00 0.00 C ATOM 499 C SER A 36 6.534 11.385 -2.668 1.00 0.00 C ATOM 500 O SER A 36 7.014 12.450 -2.338 1.00 0.00 O ATOM 501 CB SER A 36 4.597 11.314 -4.243 1.00 0.00 C ATOM 502 OG SER A 36 4.203 11.081 -5.590 1.00 0.00 O ATOM 0 H SER A 36 5.701 9.123 -4.754 1.00 0.00 H new ATOM 0 HA SER A 36 6.617 11.811 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.073 10.630 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.323 12.325 -3.942 1.00 0.00 H new ATOM 0 HG SER A 36 3.234 11.204 -5.673 1.00 0.00 H new ATOM 508 N GLU A 37 6.357 10.417 -1.802 1.00 0.00 N ATOM 509 CA GLU A 37 6.741 10.597 -0.365 1.00 0.00 C ATOM 510 C GLU A 37 8.065 9.873 -0.098 1.00 0.00 C ATOM 511 O GLU A 37 8.515 9.773 1.026 1.00 0.00 O ATOM 512 CB GLU A 37 5.642 10.006 0.522 1.00 0.00 C ATOM 513 CG GLU A 37 4.382 10.865 0.403 1.00 0.00 C ATOM 514 CD GLU A 37 3.275 10.286 1.286 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.456 9.187 1.783 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.268 10.953 1.449 1.00 0.00 O ATOM 0 H GLU A 37 5.961 9.505 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 37 6.860 11.657 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.427 8.981 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.975 9.970 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.600 11.890 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.051 10.900 -0.635 1.00 0.00 H new ATOM 523 N TYR A 38 8.696 9.376 -1.128 1.00 0.00 N ATOM 524 CA TYR A 38 9.998 8.668 -0.954 1.00 0.00 C ATOM 525 C TYR A 38 9.866 7.585 0.115 1.00 0.00 C ATOM 526 O TYR A 38 10.773 7.350 0.891 1.00 0.00 O ATOM 527 CB TYR A 38 11.065 9.672 -0.535 1.00 0.00 C ATOM 528 CG TYR A 38 11.121 10.776 -1.557 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.757 10.560 -2.783 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.527 12.013 -1.281 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.802 11.583 -3.734 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.572 13.035 -2.232 1.00 0.00 C ATOM 533 CZ TYR A 38 11.210 12.820 -3.459 1.00 0.01 C ATOM 534 OH TYR A 38 11.251 13.828 -4.396 1.00 0.00 O ATOM 0 H TYR A 38 8.363 9.431 -2.090 1.00 0.00 H new ATOM 0 HA TYR A 38 10.282 8.202 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.834 10.080 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.035 9.181 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.213 9.604 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.035 12.177 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.294 11.418 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.115 13.990 -2.021 1.00 0.00 H new ATOM 0 HH TYR A 38 10.792 14.620 -4.045 1.00 0.00 H new ATOM 544 N SER A 39 8.745 6.918 0.148 1.00 0.00 N ATOM 545 CA SER A 39 8.521 5.829 1.146 1.00 0.00 C ATOM 546 C SER A 39 8.547 4.484 0.407 1.00 0.00 C ATOM 547 O SER A 39 7.867 3.549 0.772 1.00 0.00 O ATOM 548 CB SER A 39 7.167 6.044 1.832 1.00 0.00 C ATOM 549 OG SER A 39 7.344 6.917 2.941 1.00 0.00 O ATOM 0 H SER A 39 7.961 7.083 -0.484 1.00 0.00 H new ATOM 0 HA SER A 39 9.299 5.837 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.452 6.469 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.758 5.090 2.165 1.00 0.00 H new ATOM 0 HG SER A 39 6.482 7.061 3.385 1.00 0.00 H new ATOM 555 N GLU A 40 9.326 4.393 -0.640 1.00 0.00 N ATOM 556 CA GLU A 40 9.398 3.123 -1.423 1.00 0.00 C ATOM 557 C GLU A 40 9.967 2.002 -0.554 1.00 0.00 C ATOM 558 O GLU A 40 9.669 0.846 -0.750 1.00 0.00 O ATOM 559 CB GLU A 40 10.296 3.329 -2.645 1.00 0.00 C ATOM 560 CG GLU A 40 11.732 3.615 -2.191 1.00 0.00 C ATOM 561 CD GLU A 40 12.573 4.063 -3.392 1.00 0.00 C ATOM 562 OE1 GLU A 40 13.011 3.203 -4.140 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.762 5.259 -3.543 1.00 0.00 O ATOM 0 H GLU A 40 9.918 5.147 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 40 8.395 2.846 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.275 2.441 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.923 4.158 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.734 4.390 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.167 2.722 -1.743 1.00 0.00 H new ATOM 570 N GLU A 41 10.777 2.321 0.408 1.00 0.00 N ATOM 571 CA GLU A 41 11.330 1.243 1.269 1.00 0.00 C ATOM 572 C GLU A 41 10.180 0.548 2.002 1.00 0.00 C ATOM 573 O GLU A 41 10.262 -0.616 2.342 1.00 0.00 O ATOM 574 CB GLU A 41 12.322 1.835 2.277 1.00 0.00 C ATOM 575 CG GLU A 41 11.778 3.156 2.852 1.00 0.00 C ATOM 576 CD GLU A 41 12.154 4.321 1.929 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.303 4.730 1.961 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.285 4.786 1.212 1.00 0.00 O ATOM 0 H GLU A 41 11.079 3.268 0.636 1.00 0.00 H new ATOM 0 HA GLU A 41 11.857 0.515 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.498 1.124 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.282 2.010 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.695 3.098 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.186 3.324 3.849 1.00 0.00 H new ATOM 585 N ASN A 42 9.108 1.252 2.255 1.00 0.00 N ATOM 586 CA ASN A 42 7.960 0.626 2.975 1.00 0.00 C ATOM 587 C ASN A 42 7.413 -0.576 2.193 1.00 0.00 C ATOM 588 O ASN A 42 7.170 -1.621 2.763 1.00 0.00 O ATOM 589 CB ASN A 42 6.837 1.654 3.158 1.00 0.00 C ATOM 590 CG ASN A 42 7.224 2.645 4.259 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.469 2.866 5.185 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.375 3.254 4.197 1.00 0.00 N ATOM 0 H ASN A 42 8.978 2.230 1.995 1.00 0.00 H new ATOM 0 HA ASN A 42 8.316 0.284 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.660 2.185 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.907 1.149 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.642 3.916 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.009 3.069 3.420 1.00 0.00 H new ATOM 599 N ILE A 43 7.203 -0.456 0.902 1.00 0.00 N ATOM 600 CA ILE A 43 6.654 -1.628 0.157 1.00 0.00 C ATOM 601 C ILE A 43 7.722 -2.721 0.077 1.00 0.00 C ATOM 602 O ILE A 43 7.439 -3.885 0.276 1.00 0.00 O ATOM 603 CB ILE A 43 6.191 -1.210 -1.250 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.217 -2.264 -1.811 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.388 -1.078 -2.199 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.874 -2.237 -1.052 1.00 0.00 C ATOM 0 H ILE A 43 7.383 0.380 0.347 1.00 0.00 H new ATOM 0 HA ILE A 43 5.785 -2.017 0.688 1.00 0.00 H new ATOM 0 HB ILE A 43 5.692 -0.244 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.044 -2.076 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.663 -3.255 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.038 -0.782 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.074 -0.323 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.904 -2.035 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.206 -2.991 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.048 -2.449 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.418 -1.252 -1.154 1.00 0.00 H new ATOM 618 N ASP A 44 8.953 -2.361 -0.181 1.00 0.00 N ATOM 619 CA ASP A 44 10.011 -3.405 -0.228 1.00 0.00 C ATOM 620 C ASP A 44 10.062 -4.050 1.151 1.00 0.00 C ATOM 621 O ASP A 44 10.155 -5.254 1.294 1.00 0.00 O ATOM 622 CB ASP A 44 11.366 -2.768 -0.556 1.00 0.00 C ATOM 623 CG ASP A 44 11.371 -2.289 -2.010 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.528 -2.744 -2.767 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.221 -1.481 -2.343 1.00 0.00 O ATOM 0 H ASP A 44 9.265 -1.406 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 44 9.791 -4.144 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.557 -1.930 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.167 -3.491 -0.398 1.00 0.00 H new ATOM 630 N PHE A 45 9.957 -3.244 2.169 1.00 0.00 N ATOM 631 CA PHE A 45 9.950 -3.776 3.552 1.00 0.00 C ATOM 632 C PHE A 45 8.719 -4.666 3.705 1.00 0.00 C ATOM 633 O PHE A 45 8.778 -5.754 4.241 1.00 0.00 O ATOM 634 CB PHE A 45 9.880 -2.601 4.531 1.00 0.00 C ATOM 635 CG PHE A 45 9.872 -3.105 5.949 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.083 -3.328 6.608 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.660 -3.341 6.606 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.087 -3.789 7.928 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.661 -3.798 7.927 1.00 0.00 C ATOM 640 CZ PHE A 45 9.877 -4.022 8.588 1.00 0.00 C ATOM 0 H PHE A 45 9.875 -2.230 2.098 1.00 0.00 H new ATOM 0 HA PHE A 45 10.851 -4.354 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.732 -1.939 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.982 -2.013 4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.017 -3.144 6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.725 -3.170 6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.023 -3.965 8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.727 -3.978 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.879 -4.375 9.609 1.00 0.00 H new ATOM 650 N TRP A 46 7.601 -4.197 3.223 1.00 0.00 N ATOM 651 CA TRP A 46 6.343 -4.991 3.307 1.00 0.00 C ATOM 652 C TRP A 46 6.522 -6.312 2.561 1.00 0.00 C ATOM 653 O TRP A 46 6.180 -7.366 3.054 1.00 0.00 O ATOM 654 CB TRP A 46 5.214 -4.199 2.655 1.00 0.00 C ATOM 655 CG TRP A 46 3.916 -4.923 2.832 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.199 -4.963 3.978 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.164 -5.695 1.851 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.060 -5.719 3.766 1.00 0.00 N ATOM 659 CE2 TRP A 46 1.993 -6.189 2.470 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.384 -6.013 0.497 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.072 -6.971 1.773 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.457 -6.798 -0.208 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.303 -7.276 0.429 1.00 0.00 C ATOM 0 H TRP A 46 7.505 -3.288 2.770 1.00 0.00 H new ATOM 0 HA TRP A 46 6.105 -5.192 4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.150 -3.206 3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.421 -4.060 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.471 -4.483 4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.356 -5.906 4.480 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.271 -5.651 -0.002 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.186 -7.339 2.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.634 -7.035 -1.247 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.594 -7.879 -0.118 1.00 0.00 H new ATOM 674 N ILE A 47 7.053 -6.261 1.369 1.00 0.00 N ATOM 675 CA ILE A 47 7.247 -7.512 0.587 1.00 0.00 C ATOM 676 C ILE A 47 8.186 -8.428 1.367 1.00 0.00 C ATOM 677 O ILE A 47 7.981 -9.623 1.444 1.00 0.00 O ATOM 678 CB ILE A 47 7.846 -7.170 -0.780 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.799 -6.415 -1.608 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.244 -8.458 -1.501 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.448 -5.845 -2.872 1.00 0.00 C ATOM 0 H ILE A 47 7.360 -5.406 0.905 1.00 0.00 H new ATOM 0 HA ILE A 47 6.294 -8.017 0.430 1.00 0.00 H new ATOM 0 HB ILE A 47 8.731 -6.546 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.983 -7.086 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.366 -5.609 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.670 -8.214 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.983 -8.995 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.363 -9.085 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.699 -5.310 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.248 -5.160 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.859 -6.659 -3.469 1.00 0.00 H new ATOM 693 N SER A 48 9.201 -7.877 1.970 1.00 0.00 N ATOM 694 CA SER A 48 10.127 -8.718 2.771 1.00 0.00 C ATOM 695 C SER A 48 9.369 -9.213 4.003 1.00 0.00 C ATOM 696 O SER A 48 9.503 -10.345 4.419 1.00 0.00 O ATOM 697 CB SER A 48 11.333 -7.884 3.207 1.00 0.00 C ATOM 698 OG SER A 48 10.900 -6.854 4.087 1.00 0.00 O ATOM 0 H SER A 48 9.428 -6.883 1.942 1.00 0.00 H new ATOM 0 HA SER A 48 10.482 -9.562 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.067 -8.518 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.824 -7.451 2.336 1.00 0.00 H new ATOM 0 HG SER A 48 10.010 -6.546 3.817 1.00 0.00 H new ATOM 704 N CYS A 49 8.566 -8.364 4.584 1.00 0.00 N ATOM 705 CA CYS A 49 7.786 -8.768 5.784 1.00 0.00 C ATOM 706 C CYS A 49 6.788 -9.866 5.402 1.00 0.00 C ATOM 707 O CYS A 49 6.616 -10.836 6.110 1.00 0.01 O ATOM 708 CB CYS A 49 7.031 -7.558 6.329 1.00 0.00 C ATOM 709 SG CYS A 49 6.486 -7.901 8.020 1.00 0.01 S ATOM 0 H CYS A 49 8.417 -7.403 4.276 1.00 0.00 H new ATOM 0 HA CYS A 49 8.465 -9.148 6.548 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.673 -6.678 6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.172 -7.336 5.696 1.00 0.00 H new ATOM 0 HG CYS A 49 7.195 -8.871 8.516 1.00 0.01 H new ATOM 715 N GLU A 50 6.126 -9.721 4.287 1.00 0.00 N ATOM 716 CA GLU A 50 5.148 -10.765 3.869 1.00 0.00 C ATOM 717 C GLU A 50 5.879 -12.100 3.709 1.00 0.01 C ATOM 718 O GLU A 50 5.414 -13.132 4.152 1.00 0.00 O ATOM 719 CB GLU A 50 4.506 -10.358 2.542 1.00 0.01 C ATOM 720 CG GLU A 50 3.579 -9.160 2.767 1.00 0.00 C ATOM 721 CD GLU A 50 2.339 -9.611 3.542 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.070 -10.801 3.547 1.00 0.01 O ATOM 723 OE2 GLU A 50 1.679 -8.760 4.111 1.00 0.00 O ATOM 0 H GLU A 50 6.219 -8.929 3.650 1.00 0.00 H new ATOM 0 HA GLU A 50 4.369 -10.868 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.278 -10.102 1.816 1.00 0.01 H new ATOM 0 HB3 GLU A 50 3.943 -11.194 2.127 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.103 -8.380 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.286 -8.729 1.810 1.00 0.00 H new ATOM 730 N GLU A 51 7.035 -12.085 3.099 1.00 0.01 N ATOM 731 CA GLU A 51 7.810 -13.346 2.938 1.00 0.00 C ATOM 732 C GLU A 51 8.118 -13.891 4.326 1.00 0.01 C ATOM 733 O GLU A 51 8.071 -15.080 4.575 1.00 0.00 O ATOM 734 CB GLU A 51 9.124 -13.064 2.205 1.00 0.00 C ATOM 735 CG GLU A 51 8.836 -12.716 0.744 1.00 0.00 C ATOM 736 CD GLU A 51 10.150 -12.382 0.033 1.00 0.00 C ATOM 737 OE1 GLU A 51 10.565 -11.237 0.109 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.717 -13.276 -0.572 1.00 0.01 O ATOM 0 H GLU A 51 7.474 -11.253 2.706 1.00 0.01 H new ATOM 0 HA GLU A 51 7.232 -14.066 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.651 -12.241 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.776 -13.936 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.345 -13.554 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.154 -11.868 0.688 1.00 0.00 H new ATOM 745 N TYR A 52 8.436 -13.011 5.229 1.00 0.00 N ATOM 746 CA TYR A 52 8.760 -13.430 6.614 1.00 0.01 C ATOM 747 C TYR A 52 7.551 -14.153 7.211 1.00 0.01 C ATOM 748 O TYR A 52 7.684 -15.136 7.915 1.00 0.01 O ATOM 749 CB TYR A 52 9.071 -12.176 7.435 1.00 0.00 C ATOM 750 CG TYR A 52 9.749 -12.562 8.720 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.982 -12.934 9.825 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.145 -12.546 8.806 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.609 -13.292 11.021 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.776 -12.904 10.001 1.00 0.00 C ATOM 755 CZ TYR A 52 11.008 -13.277 11.110 1.00 0.01 C ATOM 756 OH TYR A 52 11.630 -13.630 12.290 1.00 0.01 O ATOM 0 H TYR A 52 8.485 -12.006 5.063 1.00 0.00 H new ATOM 0 HA TYR A 52 9.619 -14.101 6.622 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.712 -11.505 6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.151 -11.633 7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.904 -12.945 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.735 -12.257 7.949 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.016 -13.580 11.877 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.854 -12.893 10.068 1.00 0.00 H new ATOM 0 HH TYR A 52 10.955 -13.898 12.948 1.00 0.01 H new ATOM 766 N LYS A 53 6.372 -13.672 6.931 1.00 0.01 N ATOM 767 CA LYS A 53 5.147 -14.322 7.474 1.00 0.01 C ATOM 768 C LYS A 53 4.937 -15.683 6.801 1.00 0.01 C ATOM 769 O LYS A 53 4.217 -16.523 7.302 1.00 0.01 O ATOM 770 CB LYS A 53 3.936 -13.436 7.191 1.00 0.01 C ATOM 771 CG LYS A 53 4.006 -12.173 8.053 1.00 0.00 C ATOM 772 CD LYS A 53 2.785 -11.296 7.758 1.00 0.00 C ATOM 773 CE LYS A 53 2.843 -10.032 8.616 1.00 0.01 C ATOM 774 NZ LYS A 53 4.127 -9.319 8.364 1.00 0.00 N ATOM 0 H LYS A 53 6.204 -12.853 6.347 1.00 0.01 H new ATOM 0 HA LYS A 53 5.264 -14.462 8.549 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.910 -13.166 6.135 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.017 -13.982 7.403 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.031 -12.440 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.923 -11.624 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.762 -11.030 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.869 -11.848 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.001 -9.381 8.381 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.760 -10.292 9.671 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 4.037 -8.327 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.889 -9.775 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.352 -9.357 7.349 1.00 0.00 H new ATOM 788 N LYS A 54 5.548 -15.911 5.667 1.00 0.00 N ATOM 789 CA LYS A 54 5.360 -17.221 4.977 1.00 0.01 C ATOM 790 C LYS A 54 6.302 -18.259 5.587 1.00 0.01 C ATOM 791 O LYS A 54 5.923 -19.386 5.829 1.00 0.01 O ATOM 792 CB LYS A 54 5.675 -17.076 3.484 1.00 0.01 C ATOM 793 CG LYS A 54 4.622 -16.188 2.815 1.00 0.01 C ATOM 794 CD LYS A 54 4.948 -16.049 1.326 1.00 0.00 C ATOM 795 CE LYS A 54 3.898 -15.163 0.655 1.00 0.01 C ATOM 796 NZ LYS A 54 4.222 -15.012 -0.792 1.00 0.01 N ATOM 0 H LYS A 54 6.165 -15.252 5.192 1.00 0.00 H new ATOM 0 HA LYS A 54 4.325 -17.541 5.100 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.666 -16.642 3.353 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.691 -18.057 3.009 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.630 -16.621 2.943 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.604 -15.206 3.288 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.940 -15.616 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.966 -17.031 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.908 -15.603 0.772 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.871 -14.185 1.136 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.507 -14.409 -1.247 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 5.160 -14.574 -0.894 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.226 -15.947 -1.246 1.00 0.01 H new ATOM 810 N ILE A 55 7.523 -17.888 5.855 1.00 0.01 N ATOM 811 CA ILE A 55 8.469 -18.861 6.467 1.00 0.01 C ATOM 812 C ILE A 55 8.013 -19.154 7.897 1.00 0.00 C ATOM 813 O ILE A 55 7.941 -18.268 8.727 1.00 0.01 O ATOM 814 CB ILE A 55 9.876 -18.263 6.489 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.373 -18.073 5.055 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.825 -19.206 7.235 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.623 -17.194 5.067 1.00 0.01 C ATOM 0 H ILE A 55 7.905 -16.959 5.678 1.00 0.01 H new ATOM 0 HA ILE A 55 8.483 -19.783 5.885 1.00 0.01 H new ATOM 0 HB ILE A 55 9.850 -17.299 6.997 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.598 -19.040 4.605 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.595 -17.611 4.446 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.827 -18.777 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.474 -19.341 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.850 -20.171 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.981 -17.056 4.047 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.381 -16.224 5.501 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.400 -17.674 5.662 1.00 0.01 H new ATOM 829 N LYS A 56 7.697 -20.388 8.191 1.00 0.01 N ATOM 830 CA LYS A 56 7.234 -20.748 9.569 1.00 0.01 C ATOM 831 C LYS A 56 8.383 -21.384 10.355 1.00 0.01 C ATOM 832 O LYS A 56 8.220 -21.779 11.492 1.00 0.01 O ATOM 833 CB LYS A 56 6.078 -21.741 9.462 1.00 0.01 C ATOM 834 CG LYS A 56 4.861 -21.039 8.855 1.00 0.01 C ATOM 835 CD LYS A 56 3.700 -22.029 8.749 1.00 0.00 C ATOM 836 CE LYS A 56 2.482 -21.330 8.144 1.00 0.00 C ATOM 837 NZ LYS A 56 1.337 -22.285 8.094 1.00 0.00 N ATOM 0 H LYS A 56 7.739 -21.167 7.534 1.00 0.01 H new ATOM 0 HA LYS A 56 6.904 -19.849 10.089 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.369 -22.590 8.843 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.830 -22.136 10.447 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.572 -20.189 9.473 1.00 0.01 H new ATOM 0 HG3 LYS A 56 5.109 -20.646 7.869 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.989 -22.878 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.453 -22.422 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.216 -20.457 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.715 -20.972 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.508 -21.811 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.594 -23.105 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.110 -22.606 9.057 1.00 0.00 H new ATOM 851 N SER A 57 9.539 -21.492 9.759 1.00 0.00 N ATOM 852 CA SER A 57 10.705 -22.108 10.465 1.00 0.01 C ATOM 853 C SER A 57 11.562 -20.995 11.106 1.00 0.01 C ATOM 854 O SER A 57 12.186 -20.239 10.392 1.00 0.00 O ATOM 855 CB SER A 57 11.563 -22.852 9.440 1.00 0.01 C ATOM 856 OG SER A 57 10.838 -23.969 8.943 1.00 0.01 O ATOM 0 H SER A 57 9.730 -21.179 8.807 1.00 0.00 H new ATOM 0 HA SER A 57 10.349 -22.793 11.235 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.832 -22.185 8.621 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.494 -23.184 9.900 1.00 0.01 H new ATOM 0 HG SER A 57 11.384 -24.447 8.285 1.00 0.01 H new ATOM 862 N PRO A 58 11.613 -20.868 12.425 1.00 0.00 N ATOM 863 CA PRO A 58 12.436 -19.788 13.038 1.00 0.01 C ATOM 864 C PRO A 58 13.936 -19.999 12.793 1.00 0.00 C ATOM 865 O PRO A 58 14.761 -19.222 13.230 1.00 0.00 O ATOM 866 CB PRO A 58 12.077 -19.891 14.536 1.00 0.01 C ATOM 867 CG PRO A 58 11.237 -21.165 14.751 1.00 0.01 C ATOM 868 CD PRO A 58 10.887 -21.762 13.376 1.00 0.01 C ATOM 0 HA PRO A 58 12.232 -18.804 12.615 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.983 -19.928 15.141 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.518 -19.011 14.853 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.793 -21.889 15.347 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.327 -20.929 15.303 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.218 -22.797 13.289 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.812 -21.755 13.195 1.00 0.01 H new ATOM 876 N SER A 59 14.293 -21.043 12.094 1.00 0.01 N ATOM 877 CA SER A 59 15.736 -21.299 11.819 1.00 0.01 C ATOM 878 C SER A 59 16.162 -20.552 10.553 1.00 0.01 C ATOM 879 O SER A 59 17.300 -20.148 10.413 1.00 0.01 O ATOM 880 CB SER A 59 15.957 -22.799 11.626 1.00 0.01 C ATOM 881 OG SER A 59 15.303 -23.221 10.437 1.00 0.01 O ATOM 0 H SER A 59 13.648 -21.729 11.702 1.00 0.01 H new ATOM 0 HA SER A 59 16.332 -20.947 12.661 1.00 0.01 H new ATOM 0 HB2 SER A 59 17.023 -23.016 11.565 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.568 -23.349 12.483 1.00 0.01 H new ATOM 0 HG SER A 59 15.444 -24.182 10.309 1.00 0.01 H new ATOM 887 N LYS A 60 15.258 -20.364 9.621 1.00 0.00 N ATOM 888 CA LYS A 60 15.616 -19.644 8.358 1.00 0.00 C ATOM 889 C LYS A 60 15.303 -18.147 8.492 1.00 0.01 C ATOM 890 O LYS A 60 15.781 -17.337 7.721 1.00 0.01 O ATOM 891 CB LYS A 60 14.817 -20.231 7.189 1.00 0.01 C ATOM 892 CG LYS A 60 15.325 -21.642 6.876 1.00 0.01 C ATOM 893 CD LYS A 60 14.522 -22.226 5.709 1.00 0.01 C ATOM 894 CE LYS A 60 15.030 -23.636 5.392 1.00 0.01 C ATOM 895 NZ LYS A 60 16.313 -23.545 4.637 1.00 0.01 N ATOM 0 H LYS A 60 14.289 -20.678 9.680 1.00 0.00 H new ATOM 0 HA LYS A 60 16.683 -19.767 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.757 -20.263 7.440 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.918 -19.594 6.310 1.00 0.01 H new ATOM 0 HG2 LYS A 60 16.385 -21.611 6.623 1.00 0.01 H new ATOM 0 HG3 LYS A 60 15.226 -22.279 7.755 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.463 -22.259 5.963 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.620 -21.587 4.831 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.178 -24.197 6.315 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.288 -24.178 4.805 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.614 -24.498 4.348 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 16.177 -22.954 3.792 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 17.043 -23.120 5.243 1.00 0.01 H new ATOM 909 N LEU A 61 14.514 -17.767 9.461 1.00 0.01 N ATOM 910 CA LEU A 61 14.192 -16.316 9.633 1.00 0.01 C ATOM 911 C LEU A 61 15.482 -15.540 9.926 1.00 0.01 C ATOM 912 O LEU A 61 15.672 -14.433 9.466 1.00 0.01 O ATOM 913 CB LEU A 61 13.209 -16.123 10.796 1.00 0.01 C ATOM 914 CG LEU A 61 11.902 -16.884 10.531 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.933 -16.674 11.711 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.252 -16.392 9.222 1.00 0.01 C ATOM 0 H LEU A 61 14.079 -18.393 10.139 1.00 0.01 H new ATOM 0 HA LEU A 61 13.735 -15.944 8.716 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.660 -16.476 11.723 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.998 -15.062 10.928 1.00 0.01 H new ATOM 0 HG LEU A 61 12.124 -17.946 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.006 -17.215 11.521 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.390 -17.047 12.628 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.717 -15.611 11.820 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.326 -16.940 9.047 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.033 -15.327 9.302 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.936 -16.560 8.390 1.00 0.01 H new ATOM 928 N SER A 62 16.363 -16.105 10.704 1.00 0.00 N ATOM 929 CA SER A 62 17.632 -15.394 11.041 1.00 0.01 C ATOM 930 C SER A 62 18.318 -14.855 9.766 1.00 0.01 C ATOM 931 O SER A 62 18.442 -13.657 9.606 1.00 0.01 O ATOM 932 CB SER A 62 18.559 -16.349 11.808 1.00 0.01 C ATOM 933 OG SER A 62 18.414 -16.107 13.201 1.00 0.01 O ATOM 0 H SER A 62 16.260 -17.030 11.122 1.00 0.00 H new ATOM 0 HA SER A 62 17.405 -14.536 11.673 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.309 -17.384 11.577 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.594 -16.195 11.504 1.00 0.01 H new ATOM 0 HG SER A 62 19.000 -16.713 13.701 1.00 0.01 H new ATOM 939 N PRO A 63 18.766 -15.702 8.862 1.00 0.00 N ATOM 940 CA PRO A 63 19.434 -15.216 7.624 1.00 0.00 C ATOM 941 C PRO A 63 18.747 -13.983 7.022 1.00 0.01 C ATOM 942 O PRO A 63 19.355 -12.943 6.862 1.00 0.00 O ATOM 943 CB PRO A 63 19.329 -16.440 6.693 1.00 0.01 C ATOM 944 CG PRO A 63 18.875 -17.653 7.537 1.00 0.01 C ATOM 945 CD PRO A 63 18.650 -17.180 8.989 1.00 0.01 C ATOM 0 HA PRO A 63 20.456 -14.880 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.616 -16.247 5.891 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.291 -16.643 6.223 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.957 -18.076 7.129 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.629 -18.439 7.507 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.673 -17.480 9.368 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.396 -17.590 9.670 1.00 0.01 H new ATOM 953 N LYS A 64 17.493 -14.089 6.678 1.00 0.01 N ATOM 954 CA LYS A 64 16.800 -12.917 6.077 1.00 0.01 C ATOM 955 C LYS A 64 16.567 -11.840 7.138 1.00 0.00 C ATOM 956 O LYS A 64 16.592 -10.662 6.845 1.00 0.00 O ATOM 957 CB LYS A 64 15.466 -13.359 5.465 1.00 0.00 C ATOM 958 CG LYS A 64 14.477 -13.736 6.570 1.00 0.01 C ATOM 959 CD LYS A 64 13.244 -14.413 5.955 1.00 0.01 C ATOM 960 CE LYS A 64 12.656 -13.531 4.847 1.00 0.01 C ATOM 961 NZ LYS A 64 11.223 -13.879 4.638 1.00 0.00 N ATOM 0 H LYS A 64 16.923 -14.928 6.786 1.00 0.01 H new ATOM 0 HA LYS A 64 17.428 -12.498 5.290 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.053 -12.555 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.625 -14.210 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.954 -14.408 7.284 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.177 -12.845 7.122 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.519 -15.386 5.548 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.494 -14.590 6.726 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.749 -12.479 5.118 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.214 -13.673 3.921 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 10.671 -13.009 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.132 -14.486 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.864 -14.386 5.472 1.00 0.00 H new ATOM 975 N ALA A 65 16.355 -12.215 8.371 1.00 0.00 N ATOM 976 CA ALA A 65 16.138 -11.173 9.413 1.00 0.01 C ATOM 977 C ALA A 65 17.378 -10.278 9.476 1.00 0.01 C ATOM 978 O ALA A 65 17.284 -9.067 9.486 1.00 0.01 O ATOM 979 CB ALA A 65 15.923 -11.835 10.775 1.00 0.01 C ATOM 0 H ALA A 65 16.323 -13.181 8.697 1.00 0.00 H new ATOM 0 HA ALA A 65 15.257 -10.582 9.162 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.765 -11.067 11.532 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.049 -12.485 10.730 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.801 -12.426 11.035 1.00 0.01 H new ATOM 985 N LYS A 66 18.540 -10.873 9.518 1.00 0.01 N ATOM 986 CA LYS A 66 19.794 -10.070 9.578 1.00 0.00 C ATOM 987 C LYS A 66 19.922 -9.201 8.326 1.00 0.01 C ATOM 988 O LYS A 66 20.206 -8.023 8.407 1.00 0.01 O ATOM 989 CB LYS A 66 20.986 -11.019 9.659 1.00 0.01 C ATOM 990 CG LYS A 66 20.993 -11.699 11.027 1.00 0.01 C ATOM 991 CD LYS A 66 22.181 -12.653 11.122 1.00 0.01 C ATOM 992 CE LYS A 66 22.176 -13.327 12.493 1.00 0.00 C ATOM 993 NZ LYS A 66 22.509 -12.320 13.542 1.00 0.00 N ATOM 0 H LYS A 66 18.674 -11.884 9.513 1.00 0.01 H new ATOM 0 HA LYS A 66 19.768 -9.424 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.926 -11.767 8.868 1.00 0.01 H new ATOM 0 HB3 LYS A 66 21.915 -10.469 9.508 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.052 -10.949 11.816 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.062 -12.246 11.177 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.123 -13.404 10.334 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.113 -12.108 10.975 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.198 -13.765 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.900 -14.142 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.804 -12.809 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.283 -11.712 13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.672 -11.736 13.741 1.00 0.00 H new ATOM 1007 N LYS A 67 19.720 -9.768 7.167 1.00 0.00 N ATOM 1008 CA LYS A 67 19.836 -8.955 5.924 1.00 0.00 C ATOM 1009 C LYS A 67 18.728 -7.905 5.898 1.00 0.01 C ATOM 1010 O LYS A 67 18.944 -6.772 5.518 1.00 0.01 O ATOM 1011 CB LYS A 67 19.708 -9.865 4.701 1.00 0.00 C ATOM 1012 CG LYS A 67 20.952 -10.751 4.593 1.00 0.01 C ATOM 1013 CD LYS A 67 20.891 -11.588 3.306 1.00 0.00 C ATOM 1014 CE LYS A 67 19.836 -12.696 3.435 1.00 0.00 C ATOM 1015 NZ LYS A 67 20.050 -13.706 2.361 1.00 0.01 N ATOM 0 H LYS A 67 19.482 -10.750 7.028 1.00 0.00 H new ATOM 0 HA LYS A 67 20.807 -8.460 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.814 -10.483 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.596 -9.265 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.850 -10.133 4.592 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.018 -11.407 5.461 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.651 -10.946 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.867 -12.029 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.907 -13.169 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.835 -12.272 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.337 -14.458 2.445 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 19.962 -13.248 1.431 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.000 -14.117 2.456 1.00 0.01 H new ATOM 1029 N ILE A 68 17.540 -8.267 6.305 1.00 0.01 N ATOM 1030 CA ILE A 68 16.426 -7.278 6.307 1.00 0.00 C ATOM 1031 C ILE A 68 16.673 -6.246 7.410 1.00 0.01 C ATOM 1032 O ILE A 68 16.604 -5.053 7.186 1.00 0.00 O ATOM 1033 CB ILE A 68 15.099 -8.004 6.551 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.769 -8.871 5.333 1.00 0.00 C ATOM 1035 CG2 ILE A 68 13.980 -6.980 6.761 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.593 -9.790 5.665 1.00 0.00 C ATOM 0 H ILE A 68 17.295 -9.201 6.634 1.00 0.01 H new ATOM 0 HA ILE A 68 16.379 -6.770 5.344 1.00 0.00 H new ATOM 0 HB ILE A 68 15.186 -8.630 7.439 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.521 -8.239 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.639 -9.464 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.038 -7.501 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.214 -6.357 7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.890 -6.352 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.358 -10.407 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.858 -10.431 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.724 -9.188 5.928 1.00 0.00 H new ATOM 1048 N TYR A 69 16.972 -6.697 8.597 1.00 0.00 N ATOM 1049 CA TYR A 69 17.240 -5.752 9.714 1.00 0.01 C ATOM 1050 C TYR A 69 18.427 -4.861 9.352 1.00 0.00 C ATOM 1051 O TYR A 69 18.377 -3.653 9.474 1.00 0.01 O ATOM 1052 CB TYR A 69 17.571 -6.550 10.977 1.00 0.01 C ATOM 1053 CG TYR A 69 17.930 -5.606 12.103 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.247 -5.148 12.238 1.00 0.01 C ATOM 1055 CD2 TYR A 69 16.951 -5.194 13.017 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.585 -4.279 13.284 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.289 -4.325 14.063 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.605 -3.868 14.196 1.00 0.01 C ATOM 1059 OH TYR A 69 18.936 -3.010 15.228 1.00 0.01 O ATOM 0 H TYR A 69 17.042 -7.685 8.841 1.00 0.00 H new ATOM 0 HA TYR A 69 16.361 -5.132 9.890 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.717 -7.164 11.264 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.401 -7.229 10.782 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.003 -5.465 11.535 1.00 0.01 H new ATOM 0 HD2 TYR A 69 15.935 -5.546 12.915 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.601 -3.926 13.387 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.534 -4.008 14.767 1.00 0.01 H new ATOM 0 HH TYR A 69 18.139 -2.825 15.768 1.00 0.01 H new ATOM 1069 N ASN A 70 19.497 -5.456 8.919 1.00 0.01 N ATOM 1070 CA ASN A 70 20.702 -4.662 8.558 1.00 0.00 C ATOM 1071 C ASN A 70 20.376 -3.705 7.410 1.00 0.00 C ATOM 1072 O ASN A 70 20.837 -2.584 7.370 1.00 0.01 O ATOM 1073 CB ASN A 70 21.807 -5.615 8.109 1.00 0.00 C ATOM 1074 CG ASN A 70 22.307 -6.419 9.309 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.153 -6.008 10.441 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.898 -7.563 9.104 1.00 0.01 N ATOM 0 H ASN A 70 19.592 -6.464 8.798 1.00 0.01 H new ATOM 0 HA ASN A 70 21.026 -4.086 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.430 -6.288 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.629 -5.053 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.232 -8.114 9.895 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.027 -7.907 8.153 1.00 0.01 H new ATOM 1083 N GLU A 71 19.615 -4.149 6.456 1.00 0.00 N ATOM 1084 CA GLU A 71 19.293 -3.272 5.299 1.00 0.00 C ATOM 1085 C GLU A 71 18.218 -2.236 5.663 1.00 0.00 C ATOM 1086 O GLU A 71 18.398 -1.050 5.465 1.00 0.00 O ATOM 1087 CB GLU A 71 18.788 -4.151 4.147 1.00 0.00 C ATOM 1088 CG GLU A 71 18.447 -3.281 2.934 1.00 0.00 C ATOM 1089 CD GLU A 71 18.045 -4.173 1.759 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.160 -5.381 1.889 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.629 -3.633 0.746 1.00 0.00 O ATOM 0 H GLU A 71 19.201 -5.081 6.425 1.00 0.00 H new ATOM 0 HA GLU A 71 20.193 -2.731 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.549 -4.883 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.907 -4.709 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.633 -2.599 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.306 -2.668 2.661 1.00 0.00 H new ATOM 1098 N PHE A 72 17.083 -2.676 6.136 1.00 0.00 N ATOM 1099 CA PHE A 72 15.970 -1.721 6.448 1.00 0.00 C ATOM 1100 C PHE A 72 16.023 -1.144 7.875 1.00 0.00 C ATOM 1101 O PHE A 72 15.633 -0.015 8.088 1.00 0.00 O ATOM 1102 CB PHE A 72 14.642 -2.452 6.270 1.00 0.00 C ATOM 1103 CG PHE A 72 14.446 -2.783 4.811 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.946 -3.983 4.294 1.00 0.00 C ATOM 1105 CD2 PHE A 72 13.772 -1.888 3.972 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.773 -4.290 2.941 1.00 0.00 C ATOM 1107 CE2 PHE A 72 13.600 -2.193 2.616 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.100 -3.396 2.101 1.00 0.00 C ATOM 0 H PHE A 72 16.874 -3.657 6.322 1.00 0.00 H new ATOM 0 HA PHE A 72 16.076 -0.879 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.633 -3.365 6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.821 -1.830 6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.467 -4.673 4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.384 -0.962 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.159 -5.217 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.082 -1.501 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 72 13.966 -3.633 1.056 1.00 0.00 H new ATOM 1118 N ILE A 73 16.431 -1.903 8.864 1.00 0.00 N ATOM 1119 CA ILE A 73 16.409 -1.359 10.271 1.00 0.00 C ATOM 1120 C ILE A 73 17.756 -0.763 10.694 1.00 0.00 C ATOM 1121 O ILE A 73 17.838 -0.101 11.710 1.00 0.01 O ATOM 1122 CB ILE A 73 16.049 -2.489 11.242 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.666 -3.073 10.878 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.035 -1.954 12.683 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.569 -1.996 10.940 1.00 0.00 C ATOM 0 H ILE A 73 16.773 -2.859 8.768 1.00 0.00 H new ATOM 0 HA ILE A 73 15.667 -0.561 10.297 1.00 0.00 H new ATOM 0 HB ILE A 73 16.797 -3.279 11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.702 -3.501 9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.420 -3.885 11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.778 -2.762 13.369 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.021 -1.563 12.936 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.296 -1.157 12.768 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.608 -2.440 10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.517 -1.587 11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.803 -1.197 10.236 1.00 0.00 H new ATOM 1137 N SER A 74 18.810 -0.970 9.958 1.00 0.01 N ATOM 1138 CA SER A 74 20.113 -0.380 10.393 1.00 0.00 C ATOM 1139 C SER A 74 19.998 1.142 10.455 1.00 0.00 C ATOM 1140 O SER A 74 19.557 1.781 9.521 1.00 0.01 O ATOM 1141 CB SER A 74 21.218 -0.751 9.409 1.00 0.00 C ATOM 1142 OG SER A 74 22.404 -0.043 9.751 1.00 0.01 O ATOM 0 H SER A 74 18.832 -1.509 9.092 1.00 0.01 H new ATOM 0 HA SER A 74 20.358 -0.775 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.400 -1.825 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.914 -0.505 8.392 1.00 0.00 H new ATOM 0 HG SER A 74 23.118 -0.279 9.123 1.00 0.01 H new ATOM 1148 N VAL A 75 20.405 1.731 11.546 1.00 0.01 N ATOM 1149 CA VAL A 75 20.331 3.212 11.662 1.00 0.01 C ATOM 1150 C VAL A 75 21.200 3.842 10.568 1.00 0.00 C ATOM 1151 O VAL A 75 21.100 5.016 10.275 1.00 0.00 O ATOM 1152 CB VAL A 75 20.830 3.644 13.045 1.00 0.00 C ATOM 1153 CG1 VAL A 75 19.969 2.977 14.122 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.293 3.226 13.224 1.00 0.00 C ATOM 0 H VAL A 75 20.785 1.250 12.361 1.00 0.01 H new ATOM 0 HA VAL A 75 19.300 3.543 11.541 1.00 0.01 H new ATOM 0 HB VAL A 75 20.756 4.728 13.135 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.320 3.281 15.108 1.00 0.01 H new ATOM 0 HG12 VAL A 75 18.930 3.281 13.997 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.044 1.894 14.028 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.642 3.536 14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.376 2.143 13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.904 3.701 12.457 1.00 0.00 H new ATOM 1164 N GLN A 76 22.053 3.059 9.957 1.00 0.01 N ATOM 1165 CA GLN A 76 22.932 3.589 8.869 1.00 0.01 C ATOM 1166 C GLN A 76 22.332 3.207 7.516 1.00 0.01 C ATOM 1167 O GLN A 76 22.871 3.520 6.473 1.00 0.01 O ATOM 1168 CB GLN A 76 24.323 2.955 8.976 1.00 0.00 C ATOM 1169 CG GLN A 76 24.985 3.339 10.302 1.00 0.01 C ATOM 1170 CD GLN A 76 26.371 2.695 10.378 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.066 2.608 9.385 1.00 0.01 O ATOM 1172 NE2 GLN A 76 26.807 2.236 11.518 1.00 0.01 N ATOM 0 H GLN A 76 22.179 2.069 10.166 1.00 0.01 H new ATOM 0 HA GLN A 76 23.009 4.672 8.963 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.242 1.870 8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 76 24.945 3.284 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.070 4.423 10.379 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.370 3.007 11.139 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.225 2.308 12.353 1.00 0.01 H new ATOM 0 HE22 GLN A 76 27.730 1.805 11.575 1.00 0.01 H new ATOM 1181 N ALA A 77 21.224 2.525 7.524 1.00 0.01 N ATOM 1182 CA ALA A 77 20.596 2.111 6.240 1.00 0.00 C ATOM 1183 C ALA A 77 20.490 3.318 5.305 1.00 0.01 C ATOM 1184 O ALA A 77 20.159 4.412 5.720 1.00 0.00 O ATOM 1185 CB ALA A 77 19.202 1.549 6.516 1.00 0.00 C ATOM 0 H ALA A 77 20.725 2.235 8.365 1.00 0.01 H new ATOM 0 HA ALA A 77 21.209 1.345 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.740 1.245 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.282 0.686 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.589 2.315 6.991 1.00 0.00 H new ATOM 1191 N THR A 78 20.767 3.124 4.043 1.00 0.01 N ATOM 1192 CA THR A 78 20.682 4.255 3.077 1.00 0.01 C ATOM 1193 C THR A 78 19.215 4.627 2.877 1.00 0.01 C ATOM 1194 O THR A 78 18.891 5.715 2.443 1.00 0.00 O ATOM 1195 CB THR A 78 21.286 3.833 1.734 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.461 2.844 1.135 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.687 3.263 1.960 1.00 0.01 C ATOM 0 H THR A 78 21.049 2.230 3.640 1.00 0.01 H new ATOM 0 HA THR A 78 21.234 5.111 3.466 1.00 0.01 H new ATOM 0 HB THR A 78 21.350 4.699 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.845 2.574 0.275 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.116 2.963 1.004 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.319 4.023 2.419 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.625 2.396 2.618 1.00 0.01 H new ATOM 1205 N LYS A 79 18.328 3.724 3.202 1.00 0.00 N ATOM 1206 CA LYS A 79 16.868 3.992 3.054 1.00 0.00 C ATOM 1207 C LYS A 79 16.162 3.578 4.345 1.00 0.00 C ATOM 1208 O LYS A 79 15.457 2.590 4.396 1.00 0.00 O ATOM 1209 CB LYS A 79 16.318 3.189 1.873 1.00 0.00 C ATOM 1210 CG LYS A 79 16.855 1.753 1.910 1.00 0.00 C ATOM 1211 CD LYS A 79 16.288 0.977 0.720 1.00 0.01 C ATOM 1212 CE LYS A 79 16.764 -0.476 0.776 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.523 -1.122 -0.545 1.00 0.00 N ATOM 0 H LYS A 79 18.557 2.800 3.569 1.00 0.00 H new ATOM 0 HA LYS A 79 16.697 5.052 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.229 3.178 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.602 3.667 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.944 1.758 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.571 1.269 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.199 1.014 0.736 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.609 1.439 -0.214 1.00 0.01 H new ATOM 0 HE2 LYS A 79 17.825 -0.514 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.233 -1.015 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.798 -2.124 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.514 -1.051 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.089 -0.643 -1.274 1.00 0.00 H new ATOM 1227 N GLU A 80 16.359 4.327 5.392 1.00 0.00 N ATOM 1228 CA GLU A 80 15.715 3.983 6.687 1.00 0.00 C ATOM 1229 C GLU A 80 14.198 3.977 6.525 1.00 0.00 C ATOM 1230 O GLU A 80 13.628 4.804 5.838 1.00 0.00 O ATOM 1231 CB GLU A 80 16.096 5.020 7.741 1.00 0.00 C ATOM 1232 CG GLU A 80 17.573 4.873 8.107 1.00 0.00 C ATOM 1233 CD GLU A 80 17.944 5.938 9.140 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.075 6.716 9.498 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.090 5.962 9.550 1.00 0.01 O ATOM 0 H GLU A 80 16.940 5.165 5.406 1.00 0.00 H new ATOM 0 HA GLU A 80 16.054 2.995 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.905 6.024 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.478 4.892 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.763 3.878 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.193 4.981 7.217 1.00 0.00 H new ATOM 1242 N VAL A 81 13.536 3.055 7.169 1.00 0.00 N ATOM 1243 CA VAL A 81 12.052 2.988 7.079 1.00 0.00 C ATOM 1244 C VAL A 81 11.466 3.803 8.230 1.00 0.00 C ATOM 1245 O VAL A 81 12.055 3.913 9.282 1.00 0.00 O ATOM 1246 CB VAL A 81 11.602 1.530 7.204 1.00 0.00 C ATOM 1247 CG1 VAL A 81 11.899 0.793 5.898 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.368 0.860 8.345 1.00 0.00 C ATOM 0 H VAL A 81 13.964 2.340 7.758 1.00 0.00 H new ATOM 0 HA VAL A 81 11.711 3.387 6.123 1.00 0.00 H new ATOM 0 HB VAL A 81 10.532 1.495 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.579 -0.245 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.360 1.271 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.970 0.827 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.050 -0.178 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.437 0.895 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.164 1.385 9.278 1.00 0.00 H new ATOM 1258 N ASN A 82 10.327 4.394 8.044 1.00 0.00 N ATOM 1259 CA ASN A 82 9.743 5.211 9.140 1.00 0.00 C ATOM 1260 C ASN A 82 9.215 4.296 10.251 1.00 0.00 C ATOM 1261 O ASN A 82 8.151 3.720 10.147 1.00 0.00 O ATOM 1262 CB ASN A 82 8.608 6.066 8.574 1.00 0.00 C ATOM 1263 CG ASN A 82 7.827 5.251 7.544 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.792 4.038 7.611 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.195 5.870 6.585 1.00 0.00 N ATOM 0 H ASN A 82 9.775 4.349 7.187 1.00 0.00 H new ATOM 0 HA ASN A 82 10.510 5.860 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.946 6.389 9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.012 6.967 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.671 5.336 5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.224 6.888 6.529 1.00 0.00 H new ATOM 1272 N LEU A 83 9.961 4.177 11.323 1.00 0.00 N ATOM 1273 CA LEU A 83 9.529 3.322 12.472 1.00 0.00 C ATOM 1274 C LEU A 83 10.004 3.974 13.777 1.00 0.00 C ATOM 1275 O LEU A 83 10.949 4.737 13.792 1.00 0.00 O ATOM 1276 CB LEU A 83 10.156 1.922 12.365 1.00 0.01 C ATOM 1277 CG LEU A 83 9.587 1.146 11.164 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.400 -0.136 10.973 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.116 0.771 11.411 1.00 0.00 C ATOM 0 H LEU A 83 10.860 4.641 11.451 1.00 0.00 H new ATOM 0 HA LEU A 83 8.443 3.229 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.237 2.012 12.263 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.967 1.365 13.283 1.00 0.01 H new ATOM 0 HG LEU A 83 9.647 1.775 10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.005 -0.694 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.443 0.119 10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.332 -0.748 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.731 0.223 10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.044 0.146 12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.529 1.678 11.556 1.00 0.00 H new ATOM 1291 N ASP A 84 9.358 3.675 14.871 1.00 0.01 N ATOM 1292 CA ASP A 84 9.772 4.275 16.171 1.00 0.00 C ATOM 1293 C ASP A 84 11.073 3.631 16.650 1.00 0.00 C ATOM 1294 O ASP A 84 11.442 2.556 16.223 1.00 0.00 O ATOM 1295 CB ASP A 84 8.681 4.043 17.216 1.00 0.00 C ATOM 1296 CG ASP A 84 7.457 4.895 16.878 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.611 5.854 16.139 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.385 4.572 17.362 1.00 0.01 O ATOM 0 H ASP A 84 8.561 3.041 14.921 1.00 0.01 H new ATOM 0 HA ASP A 84 9.926 5.345 16.034 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.407 2.988 17.242 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.053 4.300 18.208 1.00 0.00 H new ATOM 1303 N SER A 85 11.770 4.287 17.534 1.00 0.00 N ATOM 1304 CA SER A 85 13.049 3.719 18.043 1.00 0.01 C ATOM 1305 C SER A 85 12.756 2.494 18.910 1.00 0.01 C ATOM 1306 O SER A 85 13.629 1.692 19.180 1.00 0.00 O ATOM 1307 CB SER A 85 13.777 4.772 18.877 1.00 0.01 C ATOM 1308 OG SER A 85 13.049 5.005 20.075 1.00 0.00 O ATOM 0 H SER A 85 11.510 5.192 17.926 1.00 0.00 H new ATOM 0 HA SER A 85 13.676 3.425 17.201 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.786 4.434 19.111 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.874 5.698 18.311 1.00 0.01 H new ATOM 0 HG SER A 85 13.513 5.679 20.614 1.00 0.00 H new ATOM 1314 N CYS A 86 11.538 2.340 19.351 1.00 0.01 N ATOM 1315 CA CYS A 86 11.200 1.166 20.203 1.00 0.01 C ATOM 1316 C CYS A 86 10.989 -0.060 19.314 1.00 0.00 C ATOM 1317 O CYS A 86 11.509 -1.127 19.580 1.00 0.01 O ATOM 1318 CB CYS A 86 9.915 1.457 20.981 1.00 0.01 C ATOM 1319 SG CYS A 86 10.165 2.894 22.054 1.00 0.01 S ATOM 0 H CYS A 86 10.764 2.975 19.159 1.00 0.01 H new ATOM 0 HA CYS A 86 12.014 0.975 20.902 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.094 1.646 20.289 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.635 0.589 21.578 1.00 0.01 H new ATOM 0 HG CYS A 86 9.071 3.140 22.712 1.00 0.01 H new ATOM 1325 N THR A 87 10.239 0.077 18.257 1.00 0.00 N ATOM 1326 CA THR A 87 10.012 -1.088 17.358 1.00 0.00 C ATOM 1327 C THR A 87 11.361 -1.560 16.812 1.00 0.00 C ATOM 1328 O THR A 87 11.618 -2.743 16.702 1.00 0.01 O ATOM 1329 CB THR A 87 9.089 -0.699 16.202 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.860 -0.214 16.725 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.812 -1.934 15.341 1.00 0.00 C ATOM 0 H THR A 87 9.775 0.941 17.977 1.00 0.00 H new ATOM 0 HA THR A 87 9.536 -1.892 17.920 1.00 0.00 H new ATOM 0 HB THR A 87 9.564 0.074 15.599 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.267 0.038 15.987 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.154 -1.662 14.515 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.751 -2.319 14.945 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.333 -2.701 15.949 1.00 0.00 H new ATOM 1339 N ARG A 88 12.233 -0.645 16.470 1.00 0.01 N ATOM 1340 CA ARG A 88 13.564 -1.055 15.941 1.00 0.00 C ATOM 1341 C ARG A 88 14.266 -1.900 16.997 1.00 0.00 C ATOM 1342 O ARG A 88 14.750 -2.981 16.725 1.00 0.01 O ATOM 1343 CB ARG A 88 14.418 0.184 15.660 1.00 0.00 C ATOM 1344 CG ARG A 88 13.863 0.950 14.463 1.00 0.00 C ATOM 1345 CD ARG A 88 14.742 2.179 14.215 1.00 0.00 C ATOM 1346 NE ARG A 88 14.228 2.949 13.035 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.138 2.409 11.849 1.00 0.00 C ATOM 1348 NH1 ARG A 88 14.632 1.225 11.618 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.594 3.080 10.878 1.00 0.01 N ATOM 0 H ARG A 88 12.080 0.361 16.535 1.00 0.01 H new ATOM 0 HA ARG A 88 13.430 -1.620 15.019 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.434 0.830 16.538 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.448 -0.113 15.464 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.849 0.312 13.580 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.834 1.254 14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.749 2.816 15.100 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.772 1.870 14.037 1.00 0.00 H new ATOM 0 HE ARG A 88 13.941 3.920 13.162 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.095 0.710 12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.556 0.813 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.241 4.022 11.045 1.00 0.01 H new ATOM 0 HH22 ARG A 88 13.521 2.664 9.949 1.00 0.01 H new ATOM 1363 N GLU A 89 14.305 -1.425 18.207 1.00 0.01 N ATOM 1364 CA GLU A 89 14.950 -2.211 19.290 1.00 0.01 C ATOM 1365 C GLU A 89 14.224 -3.544 19.429 1.00 0.01 C ATOM 1366 O GLU A 89 14.833 -4.577 19.630 1.00 0.00 O ATOM 1367 CB GLU A 89 14.875 -1.436 20.604 1.00 0.01 C ATOM 1368 CG GLU A 89 15.833 -0.245 20.552 1.00 0.01 C ATOM 1369 CD GLU A 89 17.281 -0.743 20.596 1.00 0.01 C ATOM 1370 OE1 GLU A 89 17.495 -1.841 21.083 1.00 0.01 O ATOM 1371 OE2 GLU A 89 18.151 -0.014 20.147 1.00 0.01 O ATOM 0 H GLU A 89 13.918 -0.526 18.493 1.00 0.01 H new ATOM 0 HA GLU A 89 15.998 -2.388 19.047 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.856 -1.089 20.776 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.134 -2.088 21.438 1.00 0.01 H new ATOM 0 HG2 GLU A 89 15.664 0.330 19.642 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.643 0.424 21.392 1.00 0.01 H new ATOM 1378 N GLU A 90 12.924 -3.532 19.324 1.00 0.00 N ATOM 1379 CA GLU A 90 12.164 -4.801 19.448 1.00 0.01 C ATOM 1380 C GLU A 90 12.620 -5.765 18.356 1.00 0.01 C ATOM 1381 O GLU A 90 12.772 -6.949 18.591 1.00 0.01 O ATOM 1382 CB GLU A 90 10.665 -4.534 19.299 1.00 0.01 C ATOM 1383 CG GLU A 90 9.893 -5.826 19.587 1.00 0.00 C ATOM 1384 CD GLU A 90 8.388 -5.551 19.559 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.017 -4.407 19.355 1.00 0.00 O ATOM 1386 OE2 GLU A 90 7.631 -6.489 19.747 1.00 0.01 O ATOM 0 H GLU A 90 12.359 -2.699 19.158 1.00 0.00 H new ATOM 0 HA GLU A 90 12.349 -5.237 20.430 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.353 -3.749 19.987 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.444 -4.181 18.292 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.147 -6.584 18.846 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.181 -6.223 20.561 1.00 0.00 H new ATOM 1393 N THR A 91 12.848 -5.282 17.161 1.00 0.01 N ATOM 1394 CA THR A 91 13.297 -6.203 16.085 1.00 0.01 C ATOM 1395 C THR A 91 14.650 -6.783 16.487 1.00 0.01 C ATOM 1396 O THR A 91 14.903 -7.957 16.328 1.00 0.01 O ATOM 1397 CB THR A 91 13.443 -5.449 14.755 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.311 -4.614 14.558 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.530 -6.458 13.605 1.00 0.01 C ATOM 0 H THR A 91 12.743 -4.304 16.890 1.00 0.01 H new ATOM 0 HA THR A 91 12.560 -6.995 15.953 1.00 0.01 H new ATOM 0 HB THR A 91 14.347 -4.841 14.780 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.404 -4.131 13.710 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.634 -5.925 12.660 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.395 -7.105 13.753 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.624 -7.063 13.583 1.00 0.01 H new ATOM 1407 N SER A 92 15.523 -5.967 17.020 1.00 0.01 N ATOM 1408 CA SER A 92 16.859 -6.479 17.433 1.00 0.01 C ATOM 1409 C SER A 92 16.666 -7.573 18.483 1.00 0.01 C ATOM 1410 O SER A 92 17.339 -8.584 18.467 1.00 0.00 O ATOM 1411 CB SER A 92 17.684 -5.335 18.035 1.00 0.01 C ATOM 1412 OG SER A 92 17.165 -5.002 19.316 1.00 0.01 O ATOM 0 H SER A 92 15.367 -4.973 17.186 1.00 0.01 H new ATOM 0 HA SER A 92 17.383 -6.883 16.567 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.730 -5.631 18.120 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.652 -4.465 17.380 1.00 0.01 H new ATOM 0 HG SER A 92 16.229 -4.724 19.228 1.00 0.01 H new ATOM 1418 N ARG A 93 15.749 -7.383 19.389 1.00 0.01 N ATOM 1419 CA ARG A 93 15.515 -8.421 20.430 1.00 0.01 C ATOM 1420 C ARG A 93 14.937 -9.670 19.769 1.00 0.01 C ATOM 1421 O ARG A 93 15.292 -10.786 20.094 1.00 0.01 O ATOM 1422 CB ARG A 93 14.525 -7.890 21.465 1.00 0.00 C ATOM 1423 CG ARG A 93 15.182 -6.773 22.275 1.00 0.01 C ATOM 1424 CD ARG A 93 14.188 -6.255 23.312 1.00 0.01 C ATOM 1425 NE ARG A 93 13.813 -7.367 24.225 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.215 -7.111 25.354 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.949 -5.880 25.687 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.880 -8.086 26.150 1.00 0.01 N ATOM 0 H ARG A 93 15.154 -6.557 19.454 1.00 0.01 H new ATOM 0 HA ARG A 93 16.456 -8.667 20.922 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.630 -7.515 20.968 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.208 -8.696 22.127 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.080 -7.145 22.768 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.493 -5.963 21.615 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.629 -5.435 23.879 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.301 -5.859 22.818 1.00 0.01 H new ATOM 0 HE ARG A 93 14.024 -8.331 23.967 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.209 -5.116 25.064 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.481 -5.681 26.571 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.086 -9.051 25.890 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.412 -7.885 27.034 1.00 0.01 H new ATOM 1442 N ASN A 94 14.054 -9.488 18.828 1.00 0.01 N ATOM 1443 CA ASN A 94 13.458 -10.653 18.126 1.00 0.01 C ATOM 1444 C ASN A 94 14.563 -11.384 17.368 1.00 0.01 C ATOM 1445 O ASN A 94 14.589 -12.594 17.288 1.00 0.01 O ATOM 1446 CB ASN A 94 12.386 -10.167 17.149 1.00 0.01 C ATOM 1447 CG ASN A 94 11.180 -9.647 17.934 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.974 -10.018 19.073 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.367 -8.796 17.370 1.00 0.01 N ATOM 0 H ASN A 94 13.719 -8.577 18.515 1.00 0.01 H new ATOM 0 HA ASN A 94 12.997 -11.330 18.845 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.788 -9.378 16.514 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.082 -10.981 16.491 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.560 -8.443 17.885 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.538 -8.484 16.414 1.00 0.01 H new ATOM 1456 N MET A 95 15.478 -10.646 16.807 1.00 0.01 N ATOM 1457 CA MET A 95 16.593 -11.271 16.045 1.00 0.01 C ATOM 1458 C MET A 95 17.397 -12.199 16.960 1.00 0.01 C ATOM 1459 O MET A 95 17.922 -13.201 16.525 1.00 0.01 O ATOM 1460 CB MET A 95 17.493 -10.171 15.480 1.00 0.01 C ATOM 1461 CG MET A 95 16.762 -9.470 14.332 1.00 0.01 C ATOM 1462 SD MET A 95 17.614 -7.931 13.912 1.00 0.01 S ATOM 1463 CE MET A 95 19.110 -8.677 13.230 1.00 0.01 C ATOM 0 H MET A 95 15.501 -9.627 16.844 1.00 0.01 H new ATOM 0 HA MET A 95 16.189 -11.863 15.224 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.745 -9.453 16.260 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.431 -10.597 15.124 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.722 -10.124 13.461 1.00 0.01 H new ATOM 0 HG3 MET A 95 15.732 -9.259 14.619 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.639 -7.942 12.623 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.755 -9.007 14.044 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.840 -9.533 12.611 1.00 0.01 H new ATOM 1473 N LEU A 96 17.486 -11.888 18.226 1.00 0.01 N ATOM 1474 CA LEU A 96 18.242 -12.781 19.155 1.00 0.01 C ATOM 1475 C LEU A 96 17.504 -14.120 19.215 1.00 0.01 C ATOM 1476 O LEU A 96 18.085 -15.167 19.417 1.00 0.01 O ATOM 1477 CB LEU A 96 18.286 -12.158 20.553 1.00 0.01 C ATOM 1478 CG LEU A 96 19.055 -10.831 20.509 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.964 -10.150 21.883 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.531 -11.087 20.140 1.00 0.01 C ATOM 0 H LEU A 96 17.072 -11.061 18.656 1.00 0.01 H new ATOM 0 HA LEU A 96 19.264 -12.919 18.803 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.273 -11.989 20.918 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.766 -12.844 21.251 1.00 0.01 H new ATOM 0 HG LEU A 96 18.616 -10.181 19.752 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.509 -9.206 21.858 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.919 -9.959 22.126 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.400 -10.801 22.641 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.069 -10.139 20.111 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.985 -11.739 20.886 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.584 -11.564 19.161 1.00 0.01 H new ATOM 1492 N GLU A 97 16.217 -14.072 19.014 1.00 0.01 N ATOM 1493 CA GLU A 97 15.371 -15.302 19.023 1.00 0.01 C ATOM 1494 C GLU A 97 14.297 -15.096 17.947 1.00 0.01 C ATOM 1495 O GLU A 97 13.193 -14.688 18.248 1.00 0.01 O ATOM 1496 CB GLU A 97 14.703 -15.453 20.393 1.00 0.01 C ATOM 1497 CG GLU A 97 14.029 -16.828 20.503 1.00 0.01 C ATOM 1498 CD GLU A 97 12.715 -16.819 19.722 1.00 0.01 C ATOM 1499 OE1 GLU A 97 11.713 -16.420 20.293 1.00 0.01 O ATOM 1500 OE2 GLU A 97 12.731 -17.212 18.568 1.00 0.01 O ATOM 0 H GLU A 97 15.701 -13.209 18.839 1.00 0.01 H new ATOM 0 HA GLU A 97 15.963 -16.196 18.828 1.00 0.01 H new ATOM 0 HB2 GLU A 97 15.446 -15.339 21.183 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.964 -14.665 20.535 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.691 -17.601 20.112 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.840 -17.069 21.549 1.00 0.01 H new ATOM 1507 N PRO A 98 14.632 -15.309 16.692 1.00 0.01 N ATOM 1508 CA PRO A 98 13.669 -15.062 15.584 1.00 0.01 C ATOM 1509 C PRO A 98 12.333 -15.793 15.748 1.00 0.01 C ATOM 1510 O PRO A 98 12.265 -17.005 15.767 1.00 0.01 O ATOM 1511 CB PRO A 98 14.447 -15.551 14.346 1.00 0.00 C ATOM 1512 CG PRO A 98 15.921 -15.706 14.756 1.00 0.01 C ATOM 1513 CD PRO A 98 15.974 -15.820 16.287 1.00 0.01 C ATOM 0 HA PRO A 98 13.365 -14.017 15.531 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.046 -16.501 13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.350 -14.839 13.527 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.355 -16.592 14.292 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.504 -14.850 14.416 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.133 -16.848 16.613 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.781 -15.223 16.711 1.00 0.01 H new ATOM 1521 N THR A 99 11.273 -15.036 15.844 1.00 0.01 N ATOM 1522 CA THR A 99 9.906 -15.619 15.984 1.00 0.01 C ATOM 1523 C THR A 99 9.092 -15.216 14.753 1.00 0.01 C ATOM 1524 O THR A 99 9.517 -14.394 13.970 1.00 0.01 O ATOM 1525 CB THR A 99 9.231 -15.061 17.240 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.192 -13.641 17.163 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.014 -15.489 18.484 1.00 0.00 C ATOM 0 H THR A 99 11.298 -14.016 15.831 1.00 0.01 H new ATOM 0 HA THR A 99 9.967 -16.704 16.067 1.00 0.01 H new ATOM 0 HB THR A 99 8.215 -15.450 17.308 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.264 -13.335 17.237 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.529 -15.089 19.375 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.039 -16.577 18.542 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.033 -15.106 18.422 1.00 0.00 H new ATOM 1535 N ILE A 100 7.935 -15.785 14.572 1.00 0.00 N ATOM 1536 CA ILE A 100 7.114 -15.425 13.382 1.00 0.01 C ATOM 1537 C ILE A 100 6.534 -14.014 13.563 1.00 0.01 C ATOM 1538 O ILE A 100 6.146 -13.364 12.611 1.00 0.01 O ATOM 1539 CB ILE A 100 5.989 -16.451 13.217 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.318 -16.269 11.845 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.946 -16.257 14.324 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.268 -16.698 10.710 1.00 0.01 C ATOM 0 H ILE A 100 7.522 -16.481 15.193 1.00 0.00 H new ATOM 0 HA ILE A 100 7.735 -15.433 12.486 1.00 0.01 H new ATOM 0 HB ILE A 100 6.408 -17.455 13.285 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.403 -16.859 11.802 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.031 -15.226 11.711 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.147 -16.989 14.203 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.418 -16.393 15.297 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.530 -15.252 14.260 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.772 -16.561 9.749 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.172 -16.089 10.742 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.533 -17.748 10.835 1.00 0.01 H new ATOM 1554 N THR A 101 6.478 -13.534 14.781 1.00 0.00 N ATOM 1555 CA THR A 101 5.932 -12.164 15.040 1.00 0.01 C ATOM 1556 C THR A 101 7.089 -11.168 15.128 1.00 0.01 C ATOM 1557 O THR A 101 6.939 -10.062 15.609 1.00 0.01 O ATOM 1558 CB THR A 101 5.161 -12.163 16.362 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.031 -12.548 17.419 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.998 -13.147 16.275 1.00 0.01 C ATOM 0 H THR A 101 6.789 -14.035 15.613 1.00 0.00 H new ATOM 0 HA THR A 101 5.262 -11.879 14.228 1.00 0.01 H new ATOM 0 HB THR A 101 4.775 -11.162 16.556 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.538 -12.546 18.266 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.449 -13.146 17.217 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.331 -12.851 15.466 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.382 -14.148 16.080 1.00 0.01 H new ATOM 1568 N CYS A 102 8.242 -11.563 14.671 1.00 0.00 N ATOM 1569 CA CYS A 102 9.431 -10.666 14.723 1.00 0.00 C ATOM 1570 C CYS A 102 9.178 -9.384 13.920 1.00 0.01 C ATOM 1571 O CYS A 102 9.309 -8.288 14.429 1.00 0.01 O ATOM 1572 CB CYS A 102 10.635 -11.400 14.128 1.00 0.00 C ATOM 1573 SG CYS A 102 11.994 -10.233 13.861 1.00 0.01 S ATOM 0 H CYS A 102 8.415 -12.480 14.258 1.00 0.00 H new ATOM 0 HA CYS A 102 9.624 -10.397 15.761 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.955 -12.197 14.799 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.356 -11.870 13.185 1.00 0.00 H new ATOM 0 HG CYS A 102 12.075 -9.944 12.596 1.00 0.01 H new ATOM 1579 N PHE A 103 8.845 -9.509 12.659 1.00 0.00 N ATOM 1580 CA PHE A 103 8.617 -8.296 11.811 1.00 0.01 C ATOM 1581 C PHE A 103 7.122 -7.962 11.731 1.00 0.01 C ATOM 1582 O PHE A 103 6.732 -6.985 11.122 1.00 0.00 O ATOM 1583 CB PHE A 103 9.171 -8.568 10.406 1.00 0.00 C ATOM 1584 CG PHE A 103 10.682 -8.534 10.452 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.403 -9.680 10.811 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.360 -7.353 10.139 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.805 -9.640 10.855 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.758 -7.312 10.182 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.480 -8.456 10.541 1.00 0.00 C ATOM 0 H PHE A 103 8.721 -10.400 12.179 1.00 0.00 H new ATOM 0 HA PHE A 103 9.129 -7.443 12.256 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.828 -9.539 10.049 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.800 -7.821 9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.880 -10.593 11.054 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.804 -6.469 9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.362 -10.523 11.131 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.280 -6.398 9.938 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.559 -8.424 10.576 1.00 0.00 H new ATOM 1599 N ASP A 104 6.279 -8.744 12.348 1.00 0.01 N ATOM 1600 CA ASP A 104 4.820 -8.433 12.304 1.00 0.01 C ATOM 1601 C ASP A 104 4.566 -7.087 12.986 1.00 0.00 C ATOM 1602 O ASP A 104 3.756 -6.299 12.542 1.00 0.01 O ATOM 1603 CB ASP A 104 4.023 -9.525 13.016 1.00 0.01 C ATOM 1604 CG ASP A 104 4.058 -10.808 12.182 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.581 -10.760 11.082 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.568 -11.817 12.658 1.00 0.01 O ATOM 0 H ASP A 104 6.533 -9.578 12.877 1.00 0.01 H new ATOM 0 HA ASP A 104 4.499 -8.385 11.263 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.442 -9.710 14.005 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.992 -9.201 13.162 1.00 0.01 H new ATOM 1611 N GLU A 105 5.249 -6.821 14.068 1.00 0.00 N ATOM 1612 CA GLU A 105 5.048 -5.529 14.788 1.00 0.00 C ATOM 1613 C GLU A 105 5.392 -4.374 13.854 1.00 0.00 C ATOM 1614 O GLU A 105 4.734 -3.353 13.842 1.00 0.01 O ATOM 1615 CB GLU A 105 5.978 -5.462 15.998 1.00 0.00 C ATOM 1616 CG GLU A 105 5.540 -6.482 17.044 1.00 0.00 C ATOM 1617 CD GLU A 105 4.192 -6.066 17.634 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.852 -4.900 17.518 1.00 0.00 O ATOM 1619 OE2 GLU A 105 3.524 -6.921 18.191 1.00 0.01 O ATOM 0 H GLU A 105 5.940 -7.445 14.485 1.00 0.00 H new ATOM 0 HA GLU A 105 4.010 -5.460 15.112 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.005 -5.661 15.690 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.962 -4.459 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.461 -7.471 16.592 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.288 -6.552 17.834 1.00 0.00 H new ATOM 1626 N ALA A 106 6.427 -4.523 13.083 1.00 0.00 N ATOM 1627 CA ALA A 106 6.817 -3.428 12.163 1.00 0.00 C ATOM 1628 C ALA A 106 5.752 -3.273 11.082 1.00 0.00 C ATOM 1629 O ALA A 106 5.401 -2.178 10.708 1.00 0.00 O ATOM 1630 CB ALA A 106 8.156 -3.767 11.510 1.00 0.00 C ATOM 0 H ALA A 106 7.018 -5.354 13.050 1.00 0.00 H new ATOM 0 HA ALA A 106 6.909 -2.497 12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.445 -2.963 10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.918 -3.883 12.281 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.062 -4.697 10.949 1.00 0.00 H new ATOM 1636 N GLN A 107 5.220 -4.357 10.583 1.00 0.00 N ATOM 1637 CA GLN A 107 4.173 -4.237 9.531 1.00 0.00 C ATOM 1638 C GLN A 107 3.002 -3.448 10.106 1.00 0.00 C ATOM 1639 O GLN A 107 2.431 -2.593 9.456 1.00 0.00 O ATOM 1640 CB GLN A 107 3.693 -5.629 9.116 1.00 0.00 C ATOM 1641 CG GLN A 107 2.637 -5.499 8.016 1.00 0.00 C ATOM 1642 CD GLN A 107 2.166 -6.889 7.597 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.064 -7.289 7.912 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.960 -7.647 6.892 1.00 0.00 N ATOM 0 H GLN A 107 5.463 -5.310 10.855 1.00 0.00 H new ATOM 0 HA GLN A 107 4.580 -3.728 8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.534 -6.224 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.275 -6.152 9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.793 -4.910 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.053 -4.970 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.886 -7.310 6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.655 -8.577 6.605 1.00 0.00 H new ATOM 1653 N LYS A 108 2.651 -3.717 11.329 1.00 0.00 N ATOM 1654 CA LYS A 108 1.534 -2.976 11.961 1.00 0.00 C ATOM 1655 C LYS A 108 1.888 -1.491 11.979 1.00 0.00 C ATOM 1656 O LYS A 108 1.069 -0.642 11.689 1.00 0.00 O ATOM 1657 CB LYS A 108 1.349 -3.484 13.395 1.00 0.00 C ATOM 1658 CG LYS A 108 0.333 -2.612 14.141 1.00 0.00 C ATOM 1659 CD LYS A 108 0.124 -3.169 15.548 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.557 -2.110 16.417 1.00 0.00 C ATOM 1661 NZ LYS A 108 0.338 -0.928 16.547 1.00 0.00 N ATOM 0 H LYS A 108 3.093 -4.422 11.919 1.00 0.00 H new ATOM 0 HA LYS A 108 0.609 -3.127 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.008 -4.519 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.305 -3.470 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.690 -1.583 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.613 -2.594 13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.488 -4.070 15.507 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.081 -3.453 15.985 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.507 -1.814 15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.781 -2.521 17.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.146 -0.445 17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.330 -1.240 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.164 -0.273 15.758 1.00 0.00 H new ATOM 1675 N LYS A 109 3.105 -1.173 12.326 1.00 0.01 N ATOM 1676 CA LYS A 109 3.516 0.252 12.371 1.00 0.00 C ATOM 1677 C LYS A 109 3.437 0.841 10.959 1.00 0.00 C ATOM 1678 O LYS A 109 3.000 1.958 10.771 1.00 0.00 O ATOM 1679 CB LYS A 109 4.950 0.348 12.903 1.00 0.00 C ATOM 1680 CG LYS A 109 5.347 1.815 13.102 1.00 0.00 C ATOM 1681 CD LYS A 109 4.492 2.454 14.213 1.00 0.01 C ATOM 1682 CE LYS A 109 5.254 3.629 14.830 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.351 4.386 15.738 1.00 0.01 N ATOM 0 H LYS A 109 3.831 -1.842 12.580 1.00 0.01 H new ATOM 0 HA LYS A 109 2.854 0.812 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.031 -0.189 13.848 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.637 -0.130 12.205 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.403 1.881 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.214 2.364 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.542 2.797 13.804 1.00 0.01 H new ATOM 0 HD3 LYS A 109 4.260 1.714 14.979 1.00 0.01 H new ATOM 0 HE2 LYS A 109 6.120 3.264 15.383 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.630 4.285 14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.904 4.787 16.522 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.892 5.155 15.209 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.625 3.746 16.119 1.00 0.01 H new ATOM 1697 N ILE A 110 3.839 0.095 9.959 1.00 0.00 N ATOM 1698 CA ILE A 110 3.758 0.629 8.567 1.00 0.00 C ATOM 1699 C ILE A 110 2.286 0.730 8.169 1.00 0.00 C ATOM 1700 O ILE A 110 1.851 1.719 7.612 1.00 0.00 O ATOM 1701 CB ILE A 110 4.493 -0.314 7.604 1.00 0.00 C ATOM 1702 CG1 ILE A 110 5.977 -0.430 7.987 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.385 0.206 6.172 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.637 0.955 8.068 1.00 0.00 C ATOM 0 H ILE A 110 4.215 -0.849 10.046 1.00 0.00 H new ATOM 0 HA ILE A 110 4.225 1.613 8.519 1.00 0.00 H new ATOM 0 HB ILE A 110 4.028 -1.297 7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.069 -0.937 8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.499 -1.043 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.910 -0.471 5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.335 0.263 5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.832 1.198 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.686 0.843 8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.565 1.450 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.129 1.557 8.821 1.00 0.00 H new ATOM 1716 N PHE A 111 1.506 -0.276 8.464 1.00 0.00 N ATOM 1717 CA PHE A 111 0.062 -0.213 8.117 1.00 0.00 C ATOM 1718 C PHE A 111 -0.562 0.985 8.839 1.00 0.00 C ATOM 1719 O PHE A 111 -1.209 1.815 8.243 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.636 -1.522 8.571 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.861 -2.440 7.387 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.184 -2.700 6.497 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.121 -3.020 7.178 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.029 -3.538 5.398 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.333 -3.857 6.080 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.289 -4.116 5.190 1.00 0.00 C ATOM 0 H PHE A 111 1.807 -1.133 8.928 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.061 -0.101 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.025 -2.027 9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.590 -1.288 9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.155 -2.255 6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.928 -2.819 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.778 -3.740 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.303 -4.303 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.452 -4.762 4.340 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.375 1.072 10.121 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.963 2.206 10.878 1.00 0.00 C ATOM 1738 C ASN A 112 -0.346 3.526 10.408 1.00 0.00 C ATOM 1739 O ASN A 112 -1.021 4.528 10.289 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.691 2.005 12.369 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.527 0.826 12.868 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.030 -0.034 13.569 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.786 0.744 12.528 1.00 0.00 N ATOM 0 H ASN A 112 0.160 0.407 10.679 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.038 2.242 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.369 1.814 12.537 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.944 2.909 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.351 -0.041 12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.203 1.465 11.940 1.00 0.00 H new ATOM 1750 N LEU A 113 0.932 3.543 10.154 1.00 0.00 N ATOM 1751 CA LEU A 113 1.583 4.809 9.712 1.00 0.00 C ATOM 1752 C LEU A 113 1.038 5.237 8.344 1.00 0.00 C ATOM 1753 O LEU A 113 0.493 6.311 8.193 1.00 0.00 O ATOM 1754 CB LEU A 113 3.098 4.593 9.622 1.00 0.00 C ATOM 1755 CG LEU A 113 3.805 5.895 9.206 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.636 6.969 10.293 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.295 5.611 9.006 1.00 0.00 C ATOM 0 H LEU A 113 1.553 2.738 10.233 1.00 0.00 H new ATOM 0 HA LEU A 113 1.366 5.595 10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.481 4.256 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.317 3.807 8.899 1.00 0.00 H new ATOM 0 HG LEU A 113 3.362 6.260 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.142 7.883 9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.576 7.173 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.071 6.613 11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.804 6.529 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.723 5.242 9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.421 4.860 8.226 1.00 0.00 H new ATOM 1769 N MET A 114 1.185 4.407 7.346 1.00 0.00 N ATOM 1770 CA MET A 114 0.679 4.777 5.994 1.00 0.00 C ATOM 1771 C MET A 114 -0.835 4.982 6.068 1.00 0.00 C ATOM 1772 O MET A 114 -1.385 5.869 5.446 1.00 0.00 O ATOM 1773 CB MET A 114 1.025 3.660 4.993 1.00 0.00 C ATOM 1774 CG MET A 114 0.164 2.413 5.260 1.00 0.00 C ATOM 1775 SD MET A 114 1.064 0.918 4.764 1.00 0.00 S ATOM 1776 CE MET A 114 0.935 1.098 2.969 1.00 0.00 C ATOM 0 H MET A 114 1.632 3.492 7.409 1.00 0.00 H new ATOM 0 HA MET A 114 1.148 5.702 5.658 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.860 4.012 3.975 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.081 3.404 5.075 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.093 2.358 6.318 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.773 2.483 4.708 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.223 0.370 2.581 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.593 2.105 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.911 0.928 2.515 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.512 4.167 6.832 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.987 4.316 6.949 1.00 0.00 C ATOM 1788 C GLU A 115 -3.319 5.691 7.549 1.00 0.00 C ATOM 1789 O GLU A 115 -4.266 6.342 7.158 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.539 3.206 7.852 1.00 0.00 C ATOM 1791 CG GLU A 115 -5.060 3.335 7.972 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.594 2.215 8.866 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.786 1.538 9.483 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.802 2.057 8.924 1.00 0.00 O ATOM 0 H GLU A 115 -1.106 3.407 7.378 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.443 4.238 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.280 2.230 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.082 3.268 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.322 4.306 8.391 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.520 3.279 6.985 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.564 6.134 8.517 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.859 7.458 9.144 1.00 0.00 C ATOM 1803 C LYS A 116 -2.242 8.610 8.330 1.00 0.01 C ATOM 1804 O LYS A 116 -2.629 9.750 8.495 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.292 7.482 10.564 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.077 6.505 11.445 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.509 6.531 12.864 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.287 5.550 13.747 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.707 5.989 13.859 1.00 0.00 N ATOM 0 H LYS A 116 -1.758 5.640 8.901 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.940 7.594 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.237 7.208 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.355 8.490 10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.132 6.778 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.014 5.497 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.453 6.263 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.576 7.538 13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.239 4.547 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.833 5.499 14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.142 5.549 14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.744 7.024 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.228 5.701 13.006 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.275 8.339 7.474 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.627 9.448 6.683 1.00 0.00 C ATOM 1825 C ASP A 117 -0.836 9.274 5.171 1.00 0.00 C ATOM 1826 O ASP A 117 -1.417 10.118 4.525 1.00 0.00 O ATOM 1827 CB ASP A 117 0.879 9.459 6.976 1.00 0.00 C ATOM 1828 CG ASP A 117 1.120 9.939 8.408 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.237 10.579 8.956 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.188 9.665 8.931 1.00 0.00 O ATOM 0 H ASP A 117 -0.908 7.405 7.289 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.091 10.387 6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.293 8.460 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.392 10.113 6.271 1.00 0.00 H new ATOM 1835 N SER A 118 -0.339 8.216 4.591 1.00 0.00 N ATOM 1836 CA SER A 118 -0.491 8.045 3.113 1.00 0.00 C ATOM 1837 C SER A 118 -1.965 8.003 2.712 1.00 0.00 C ATOM 1838 O SER A 118 -2.357 8.570 1.715 1.00 0.01 O ATOM 1839 CB SER A 118 0.180 6.744 2.680 1.00 0.00 C ATOM 1840 OG SER A 118 -0.645 5.645 3.049 1.00 0.00 O ATOM 0 H SER A 118 0.162 7.467 5.069 1.00 0.00 H new ATOM 0 HA SER A 118 -0.020 8.896 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.342 6.746 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.159 6.652 3.150 1.00 0.00 H new ATOM 0 HG SER A 118 -1.040 5.814 3.930 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.779 7.328 3.467 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.227 7.230 3.114 1.00 0.00 C ATOM 1848 C TYR A 119 -4.858 8.626 3.035 1.00 0.01 C ATOM 1849 O TYR A 119 -5.593 8.930 2.118 1.00 0.01 O ATOM 1850 CB TYR A 119 -4.941 6.392 4.197 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.556 5.142 3.608 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.786 4.280 2.822 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.899 4.846 3.859 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.364 3.125 2.285 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.470 3.694 3.322 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.703 2.834 2.536 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.268 1.699 1.998 1.00 0.00 O ATOM 0 H TYR A 119 -2.507 6.836 4.318 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.332 6.754 2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.229 6.118 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.717 6.993 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.747 4.505 2.630 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.494 5.510 4.469 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.772 2.458 1.675 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.508 3.467 3.515 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.221 1.855 1.833 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.603 9.465 3.998 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.219 10.819 3.972 1.00 0.01 C ATOM 1869 C ARG A 120 -4.715 11.571 2.740 1.00 0.00 C ATOM 1870 O ARG A 120 -5.469 12.235 2.055 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.826 11.576 5.244 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.320 10.815 6.488 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.851 10.874 6.601 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.256 10.386 7.950 1.00 0.01 N ATOM 1875 CZ ARG A 120 -8.472 10.591 8.376 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -9.346 11.156 7.588 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -8.816 10.213 9.580 1.00 0.01 N ATOM 0 H ARG A 120 -3.999 9.274 4.797 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.305 10.736 3.926 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.743 11.693 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.255 12.578 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -4.996 9.776 6.435 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -4.869 11.244 7.383 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.201 11.895 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.310 10.261 5.825 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.584 9.893 8.538 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.077 11.435 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.298 11.319 7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.133 9.758 10.186 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -9.767 10.373 9.913 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.456 11.451 2.432 1.00 0.00 N ATOM 1892 CA ARG A 121 -2.922 12.134 1.223 1.00 0.01 C ATOM 1893 C ARG A 121 -3.483 11.429 -0.015 1.00 0.01 C ATOM 1894 O ARG A 121 -3.807 12.056 -1.001 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.381 12.079 1.209 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.771 13.189 2.091 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.817 12.778 3.565 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.737 14.003 4.418 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.244 14.851 4.285 1.00 0.01 C ATOM 1900 NH1 ARG A 121 1.293 14.540 3.577 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.200 15.989 4.916 1.00 0.01 N ATOM 0 H ARG A 121 -2.774 10.910 2.964 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.223 13.182 1.228 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.047 11.104 1.565 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.021 12.186 0.186 1.00 0.01 H new ATOM 0 HG2 ARG A 121 0.260 13.377 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.320 14.120 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.738 12.233 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.010 12.106 3.794 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.461 14.178 5.115 1.00 0.01 H new ATOM 0 HH11 ARG A 121 1.350 13.628 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.057 15.208 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.599 16.212 5.510 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.964 16.657 4.816 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.604 10.128 0.028 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.148 9.399 -1.150 1.00 0.01 C ATOM 1917 C PHE A 122 -5.560 9.902 -1.433 1.00 0.01 C ATOM 1918 O PHE A 122 -5.912 10.179 -2.553 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.168 7.878 -0.865 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.328 7.151 -1.889 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -3.845 6.904 -3.165 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.032 6.744 -1.568 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.063 6.246 -4.120 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.251 6.090 -2.519 1.00 0.01 C ATOM 1925 CZ PHE A 122 -1.766 5.839 -3.796 1.00 0.00 C ATOM 0 H PHE A 122 -3.351 9.543 0.824 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.517 9.579 -2.020 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.786 7.682 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.193 7.507 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.847 7.221 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.634 6.936 -0.582 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.461 6.053 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.248 5.777 -2.270 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.161 5.330 -4.532 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.363 10.023 -0.425 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.748 10.504 -0.648 1.00 0.00 C ATOM 1937 C LEU A 123 -7.687 11.899 -1.268 1.00 0.01 C ATOM 1938 O LEU A 123 -8.480 12.246 -2.122 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.486 10.547 0.690 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.703 9.114 1.203 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.214 9.165 2.647 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.728 8.379 0.312 1.00 0.01 C ATOM 0 H LEU A 123 -6.124 9.811 0.544 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.282 9.834 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.911 11.121 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.445 11.051 0.572 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.757 8.573 1.168 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.369 8.150 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.480 9.670 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.157 9.711 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.873 7.365 0.685 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.678 8.913 0.333 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.357 8.339 -0.712 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.746 12.700 -0.844 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.611 14.078 -1.405 1.00 0.01 C ATOM 1956 C LYS A 124 -5.611 14.075 -2.570 1.00 0.01 C ATOM 1957 O LYS A 124 -5.367 15.093 -3.186 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.098 15.013 -0.307 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.129 15.085 0.821 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.617 16.020 1.920 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.643 16.091 3.055 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.878 14.720 3.588 1.00 0.01 N ATOM 0 H LYS A 124 -6.060 12.458 -0.129 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.582 14.418 -1.767 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.145 14.651 0.079 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.919 16.008 -0.715 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.082 15.447 0.435 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.308 14.090 1.229 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.662 15.660 2.302 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.442 17.015 1.512 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.281 16.746 3.848 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.577 16.518 2.691 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.256 14.783 4.555 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.561 14.224 2.981 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -6.981 14.194 3.601 1.00 0.01 H new ATOM 1976 N SER A 125 -5.024 12.947 -2.876 1.00 0.00 N ATOM 1977 CA SER A 125 -4.037 12.907 -3.997 1.00 0.01 C ATOM 1978 C SER A 125 -4.758 13.065 -5.335 1.00 0.01 C ATOM 1979 O SER A 125 -5.942 12.817 -5.454 1.00 0.01 O ATOM 1980 CB SER A 125 -3.274 11.585 -3.975 1.00 0.01 C ATOM 1981 OG SER A 125 -4.190 10.508 -4.112 1.00 0.01 O ATOM 0 H SER A 125 -5.183 12.058 -2.402 1.00 0.00 H new ATOM 0 HA SER A 125 -3.331 13.728 -3.873 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.544 11.561 -4.784 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.719 11.488 -3.042 1.00 0.01 H new ATOM 0 HG SER A 125 -5.040 10.745 -3.685 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.042 13.492 -6.336 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.654 13.698 -7.679 1.00 0.01 C ATOM 1989 C ARG A 126 -5.143 12.368 -8.257 1.00 0.00 C ATOM 1990 O ARG A 126 -6.187 12.302 -8.877 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.605 14.305 -8.611 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.210 15.684 -8.080 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.134 16.295 -8.982 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.995 15.331 -9.151 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.339 14.846 -8.128 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.532 15.311 -6.925 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.565 13.929 -8.322 1.00 0.01 N ATOM 0 H ARG A 126 -3.047 13.710 -6.281 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.508 14.369 -7.584 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.730 13.657 -8.666 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.003 14.390 -9.622 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.083 16.335 -8.047 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.837 15.598 -7.059 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.560 16.541 -9.955 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.771 17.227 -8.548 1.00 0.01 H new ATOM 0 HE ARG A 126 -0.724 15.046 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.203 16.064 -6.771 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -0.012 14.922 -6.138 1.00 0.01 H new ATOM 0 HH21 ARG A 126 0.757 13.594 -9.266 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.081 13.546 -7.530 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.397 11.314 -8.079 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.827 10.004 -8.641 1.00 0.01 C ATOM 2013 C PHE A 127 -6.183 9.618 -8.049 1.00 0.01 C ATOM 2014 O PHE A 127 -7.101 9.259 -8.758 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.797 8.931 -8.276 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.447 9.318 -8.838 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.257 9.369 -10.223 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.386 9.632 -7.976 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.010 9.734 -10.747 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.141 9.998 -8.500 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.048 10.048 -9.886 1.00 0.00 C ATOM 0 H PHE A 127 -3.512 11.303 -7.571 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.908 10.083 -9.725 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.735 8.824 -7.193 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.106 7.965 -8.675 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.072 9.127 -10.889 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.530 9.591 -6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.865 9.773 -11.816 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.674 10.242 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.009 10.329 -10.291 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.318 9.690 -6.756 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.616 9.329 -6.124 1.00 0.01 C ATOM 2033 C TYR A 128 -8.686 10.331 -6.553 1.00 0.01 C ATOM 2034 O TYR A 128 -9.751 9.961 -7.004 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.460 9.370 -4.606 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.670 8.761 -3.935 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.745 7.374 -3.773 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.704 9.578 -3.463 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.853 6.800 -3.138 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.816 9.004 -2.830 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.888 7.615 -2.667 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.980 7.047 -2.042 1.00 0.01 O ATOM 0 H TYR A 128 -5.586 9.983 -6.109 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.912 8.328 -6.437 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.562 8.828 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.333 10.401 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.947 6.745 -4.138 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.645 10.649 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.909 5.729 -3.012 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.616 9.633 -2.468 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.607 7.751 -1.774 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.410 11.599 -6.417 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.416 12.624 -6.818 1.00 0.01 C ATOM 2054 C LEU A 129 -9.713 12.478 -8.309 1.00 0.01 C ATOM 2055 O LEU A 129 -10.854 12.495 -8.729 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.867 14.026 -6.531 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.725 14.232 -5.013 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.011 15.562 -4.747 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.110 14.249 -4.337 1.00 0.01 C ATOM 0 H LEU A 129 -7.535 11.969 -6.047 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.334 12.480 -6.248 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.899 14.153 -7.016 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.535 14.780 -6.948 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.144 13.408 -4.599 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.909 15.711 -3.672 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.023 15.543 -5.206 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.593 16.379 -5.173 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -9.989 14.396 -3.264 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.706 15.063 -4.750 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.615 13.301 -4.519 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.700 12.328 -9.115 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.942 12.170 -10.573 1.00 0.91 C ATOM 2073 C ASP A 130 -9.804 10.926 -10.797 1.00 1.05 C ATOM 2074 O ASP A 130 -10.798 10.961 -11.492 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.601 12.003 -11.296 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.831 13.326 -11.263 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.440 14.337 -10.963 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -5.642 13.303 -11.534 1.00 3.36 O ATOM 0 H ASP A 130 -7.721 12.308 -8.829 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.453 13.050 -10.964 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.015 11.217 -10.819 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.769 11.694 -12.328 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.426 9.827 -10.208 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.215 8.574 -10.373 1.00 1.68 C ATOM 2085 C LEU A 131 -11.550 8.697 -9.635 1.00 2.00 C ATOM 2086 O LEU A 131 -12.570 8.220 -10.094 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.426 7.402 -9.789 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.187 7.102 -10.652 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.190 6.287 -9.829 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.580 6.279 -11.887 1.00 3.54 C ATOM 0 H LEU A 131 -8.600 9.742 -9.616 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.403 8.406 -11.433 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.118 7.635 -8.770 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.062 6.518 -9.736 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.746 8.047 -10.970 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.310 6.071 -10.434 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.894 6.857 -8.948 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.654 5.352 -9.517 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.692 6.076 -12.486 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.027 5.337 -11.569 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.300 6.839 -12.484 1.00 3.54 H new ATOM 2102 N THR A 132 -11.540 9.299 -8.472 1.00 2.68 N ATOM 2103 CA THR A 132 -12.796 9.426 -7.663 1.00 3.30 C ATOM 2104 C THR A 132 -13.357 10.848 -7.743 1.00 3.72 C ATOM 2105 O THR A 132 -13.575 11.483 -6.730 1.00 3.94 O ATOM 2106 CB THR A 132 -12.492 9.111 -6.188 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.672 10.139 -5.650 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.769 7.755 -6.047 1.00 4.63 C ATOM 0 H THR A 132 -10.711 9.711 -8.044 1.00 2.68 H new ATOM 0 HA THR A 132 -13.528 8.726 -8.065 1.00 3.30 H new ATOM 0 HB THR A 132 -13.435 9.056 -5.645 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.082 10.488 -6.351 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.567 7.558 -4.994 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.400 6.963 -6.449 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.829 7.785 -6.598 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.619 11.356 -8.919 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.190 12.735 -9.001 1.00 4.82 C ATOM 2118 C ASN A 133 -15.705 12.639 -8.730 1.00 5.34 C ATOM 2119 O ASN A 133 -16.330 11.664 -9.103 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.970 13.324 -10.401 1.00 5.42 C ATOM 2121 CG ASN A 133 -12.527 13.803 -10.555 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -12.020 14.523 -9.722 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.848 13.435 -11.606 1.00 6.48 N ATOM 0 H ASN A 133 -13.466 10.887 -9.812 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.700 13.379 -8.271 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.193 12.572 -11.158 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -14.656 14.155 -10.565 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.887 13.753 -11.729 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.278 12.829 -12.305 1.00 6.48 H new TER 2130 ASN A 133