USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 937 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 67 HIS : no HD1:sc= -5.16 K(o=-5.4,f=-6.7!) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.247 X(o=-5.4,f=-5.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= -0.736 (180deg=-1.17) USER MOD Single : A 12 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2!) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.522 (180deg=-1.88!) USER MOD Single : A 18 MET CE :methyl 152:sc= -1.09 (180deg=-2.11!) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 0.432 (180deg=-0.678) USER MOD Single : A 27 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.3) USER MOD Single : A 28 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 10:sc= 0.894 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.0396 (180deg=-1.22) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.85) USER MOD Single : A 72 CYS SG : rot -150:sc= -0.408 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -155:sc= -0.175 USER MOD Single : A 77 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.14) USER MOD Single : A 78 LYS NZ :NH3+ -106:sc= 0.324 (180deg=-1.75!) USER MOD Single : A 80 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.088) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.0282 (180deg=-0.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 93 GLN : amide:sc= -1.77! C(o=-1.8!,f=-1.5!) USER MOD Single : A 94 THR OG1 : rot -160:sc= -1.5 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot -170:sc=-0.00423 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.395 F(o=-1.3,f=-0.39) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 17:sc= 0.318! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.0581 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.063 -14.703 4.664 1.00 0.00 N ATOM 2 CA GLY A 1 22.278 -13.268 4.614 1.00 0.00 C ATOM 3 C GLY A 1 21.253 -12.559 3.752 1.00 0.00 C ATOM 4 O GLY A 1 20.056 -12.832 3.847 1.00 0.00 O ATOM 0 H1 GLY A 1 22.789 -15.142 5.265 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.121 -14.899 5.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.125 -15.097 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.241 -12.863 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.277 -13.066 4.226 1.00 0.00 H new ATOM 8 N SER A 2 21.722 -11.644 2.909 1.00 0.00 N ATOM 9 CA SER A 2 20.836 -10.888 2.031 1.00 0.00 C ATOM 10 C SER A 2 20.335 -11.761 0.884 1.00 0.00 C ATOM 11 O SER A 2 19.130 -11.911 0.685 1.00 0.00 O ATOM 12 CB SER A 2 21.561 -9.661 1.474 1.00 0.00 C ATOM 13 OG SER A 2 20.651 -8.608 1.210 1.00 0.00 O ATOM 0 H SER A 2 22.710 -11.408 2.816 1.00 0.00 H new ATOM 0 HA SER A 2 19.978 -10.559 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.314 -9.325 2.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.087 -9.930 0.558 1.00 0.00 H new ATOM 0 HG SER A 2 21.139 -7.835 0.857 1.00 0.00 H new ATOM 19 N SER A 3 21.270 -12.334 0.133 1.00 0.00 N ATOM 20 CA SER A 3 20.924 -13.189 -0.997 1.00 0.00 C ATOM 21 C SER A 3 20.324 -14.507 -0.517 1.00 0.00 C ATOM 22 O SER A 3 20.893 -15.186 0.336 1.00 0.00 O ATOM 23 CB SER A 3 22.161 -13.460 -1.855 1.00 0.00 C ATOM 24 OG SER A 3 21.802 -14.022 -3.105 1.00 0.00 O ATOM 0 H SER A 3 22.272 -12.222 0.286 1.00 0.00 H new ATOM 0 HA SER A 3 20.179 -12.670 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.708 -12.530 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.832 -14.138 -1.327 1.00 0.00 H new ATOM 0 HG SER A 3 22.610 -14.184 -3.635 1.00 0.00 H new ATOM 30 N GLY A 4 19.170 -14.862 -1.074 1.00 0.00 N ATOM 31 CA GLY A 4 18.511 -16.097 -0.691 1.00 0.00 C ATOM 32 C GLY A 4 18.139 -16.950 -1.888 1.00 0.00 C ATOM 33 O GLY A 4 18.369 -16.560 -3.033 1.00 0.00 O ATOM 0 H GLY A 4 18.680 -14.317 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.167 -16.666 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.612 -15.864 -0.121 1.00 0.00 H new ATOM 37 N SER A 5 17.564 -18.119 -1.623 1.00 0.00 N ATOM 38 CA SER A 5 17.164 -19.033 -2.687 1.00 0.00 C ATOM 39 C SER A 5 16.095 -18.400 -3.573 1.00 0.00 C ATOM 40 O SER A 5 16.224 -18.372 -4.797 1.00 0.00 O ATOM 41 CB SER A 5 16.642 -20.343 -2.094 1.00 0.00 C ATOM 42 OG SER A 5 17.711 -21.181 -1.690 1.00 0.00 O ATOM 0 H SER A 5 17.365 -18.455 -0.681 1.00 0.00 H new ATOM 0 HA SER A 5 18.040 -19.244 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.000 -20.129 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.028 -20.861 -2.831 1.00 0.00 H new ATOM 0 HG SER A 5 17.351 -22.011 -1.313 1.00 0.00 H new ATOM 48 N SER A 6 15.039 -17.894 -2.944 1.00 0.00 N ATOM 49 CA SER A 6 13.944 -17.265 -3.674 1.00 0.00 C ATOM 50 C SER A 6 14.477 -16.390 -4.805 1.00 0.00 C ATOM 51 O SER A 6 15.565 -15.825 -4.708 1.00 0.00 O ATOM 52 CB SER A 6 13.087 -16.425 -2.726 1.00 0.00 C ATOM 53 OG SER A 6 12.648 -17.193 -1.619 1.00 0.00 O ATOM 0 H SER A 6 14.918 -17.907 -1.931 1.00 0.00 H new ATOM 0 HA SER A 6 13.328 -18.054 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.662 -15.569 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.225 -16.030 -3.264 1.00 0.00 H new ATOM 0 HG SER A 6 12.104 -16.633 -1.027 1.00 0.00 H new ATOM 59 N GLY A 7 13.701 -16.285 -5.880 1.00 0.00 N ATOM 60 CA GLY A 7 14.110 -15.479 -7.015 1.00 0.00 C ATOM 61 C GLY A 7 13.003 -14.569 -7.509 1.00 0.00 C ATOM 62 O GLY A 7 11.817 -14.837 -7.316 1.00 0.00 O ATOM 0 H GLY A 7 12.796 -16.744 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.974 -14.876 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.427 -16.134 -7.827 1.00 0.00 H new ATOM 66 N PRO A 8 13.388 -13.463 -8.162 1.00 0.00 N ATOM 67 CA PRO A 8 12.434 -12.487 -8.698 1.00 0.00 C ATOM 68 C PRO A 8 11.651 -13.034 -9.886 1.00 0.00 C ATOM 69 O PRO A 8 10.736 -12.384 -10.392 1.00 0.00 O ATOM 70 CB PRO A 8 13.326 -11.323 -9.136 1.00 0.00 C ATOM 71 CG PRO A 8 14.654 -11.943 -9.405 1.00 0.00 C ATOM 72 CD PRO A 8 14.785 -13.079 -8.429 1.00 0.00 C ATOM 0 HA PRO A 8 11.678 -12.210 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.930 -10.834 -10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.395 -10.562 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.716 -12.302 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.457 -11.219 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.356 -13.907 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.298 -12.769 -7.518 1.00 0.00 H new ATOM 80 N TYR A 9 12.016 -14.233 -10.328 1.00 0.00 N ATOM 81 CA TYR A 9 11.348 -14.867 -11.458 1.00 0.00 C ATOM 82 C TYR A 9 9.841 -14.933 -11.233 1.00 0.00 C ATOM 83 O TYR A 9 9.054 -14.625 -12.128 1.00 0.00 O ATOM 84 CB TYR A 9 11.904 -16.274 -11.682 1.00 0.00 C ATOM 85 CG TYR A 9 11.598 -16.835 -13.053 1.00 0.00 C ATOM 86 CD1 TYR A 9 12.301 -16.410 -14.172 1.00 0.00 C ATOM 87 CD2 TYR A 9 10.605 -17.792 -13.227 1.00 0.00 C ATOM 88 CE1 TYR A 9 12.024 -16.919 -15.426 1.00 0.00 C ATOM 89 CE2 TYR A 9 10.322 -18.308 -14.477 1.00 0.00 C ATOM 90 CZ TYR A 9 11.034 -17.868 -15.573 1.00 0.00 C ATOM 91 OH TYR A 9 10.756 -18.379 -16.820 1.00 0.00 O ATOM 0 H TYR A 9 12.771 -14.785 -9.921 1.00 0.00 H new ATOM 0 HA TYR A 9 11.538 -14.263 -12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.984 -16.256 -11.539 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.494 -16.943 -10.925 1.00 0.00 H new ATOM 0 HD1 TYR A 9 13.078 -15.668 -14.060 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.045 -18.138 -12.371 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.579 -16.576 -16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.548 -19.052 -14.595 1.00 0.00 H new ATOM 0 HH TYR A 9 10.033 -19.037 -16.750 1.00 0.00 H new ATOM 101 N ASN A 10 9.446 -15.337 -10.030 1.00 0.00 N ATOM 102 CA ASN A 10 8.032 -15.444 -9.686 1.00 0.00 C ATOM 103 C ASN A 10 7.557 -14.198 -8.945 1.00 0.00 C ATOM 104 O ASN A 10 6.822 -13.378 -9.496 1.00 0.00 O ATOM 105 CB ASN A 10 7.789 -16.686 -8.826 1.00 0.00 C ATOM 106 CG ASN A 10 7.533 -17.926 -9.661 1.00 0.00 C ATOM 107 OD1 ASN A 10 6.385 -18.278 -9.934 1.00 0.00 O ATOM 108 ND2 ASN A 10 8.605 -18.595 -10.070 1.00 0.00 N ATOM 0 H ASN A 10 10.084 -15.596 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 10 7.463 -15.533 -10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.654 -16.855 -8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.936 -16.510 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.496 -19.438 -10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.538 -18.266 -9.820 1.00 0.00 H new ATOM 115 N LYS A 11 7.982 -14.062 -7.694 1.00 0.00 N ATOM 116 CA LYS A 11 7.603 -12.915 -6.877 1.00 0.00 C ATOM 117 C LYS A 11 7.523 -11.648 -7.722 1.00 0.00 C ATOM 118 O LYS A 11 8.313 -11.455 -8.645 1.00 0.00 O ATOM 119 CB LYS A 11 8.607 -12.719 -5.739 1.00 0.00 C ATOM 120 CG LYS A 11 10.002 -12.351 -6.214 1.00 0.00 C ATOM 121 CD LYS A 11 10.907 -11.980 -5.052 1.00 0.00 C ATOM 122 CE LYS A 11 10.822 -10.495 -4.731 1.00 0.00 C ATOM 123 NZ LYS A 11 11.481 -9.663 -5.776 1.00 0.00 N ATOM 0 H LYS A 11 8.590 -14.732 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 11 6.618 -13.112 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.241 -11.937 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.662 -13.636 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.434 -13.190 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.941 -11.515 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.628 -12.560 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.937 -12.243 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.776 -10.202 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.291 -10.305 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.583 -8.688 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.420 -10.054 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.900 -9.665 -6.639 1.00 0.00 H new ATOM 137 N ASN A 12 6.564 -10.786 -7.399 1.00 0.00 N ATOM 138 CA ASN A 12 6.382 -9.536 -8.128 1.00 0.00 C ATOM 139 C ASN A 12 7.483 -8.539 -7.782 1.00 0.00 C ATOM 140 O ASN A 12 8.063 -7.907 -8.664 1.00 0.00 O ATOM 141 CB ASN A 12 5.013 -8.931 -7.810 1.00 0.00 C ATOM 142 CG ASN A 12 4.741 -7.667 -8.603 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.615 -7.704 -9.827 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.651 -6.540 -7.907 1.00 0.00 N ATOM 0 H ASN A 12 5.901 -10.930 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 12 6.437 -9.755 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.236 -9.665 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.956 -8.708 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.471 -5.658 -8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.762 -6.556 -6.893 1.00 0.00 H new ATOM 151 N GLY A 13 7.768 -8.404 -6.490 1.00 0.00 N ATOM 152 CA GLY A 13 8.799 -7.483 -6.050 1.00 0.00 C ATOM 153 C GLY A 13 8.627 -7.069 -4.602 1.00 0.00 C ATOM 154 O GLY A 13 9.598 -6.726 -3.927 1.00 0.00 O ATOM 0 H GLY A 13 7.303 -8.916 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.776 -7.948 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.783 -6.596 -6.683 1.00 0.00 H new ATOM 158 N PHE A 14 7.388 -7.098 -4.123 1.00 0.00 N ATOM 159 CA PHE A 14 7.091 -6.720 -2.746 1.00 0.00 C ATOM 160 C PHE A 14 7.904 -7.559 -1.765 1.00 0.00 C ATOM 161 O PHE A 14 8.002 -8.778 -1.905 1.00 0.00 O ATOM 162 CB PHE A 14 5.597 -6.884 -2.460 1.00 0.00 C ATOM 163 CG PHE A 14 4.742 -5.842 -3.123 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.523 -4.616 -2.514 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.158 -6.087 -4.355 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.736 -3.656 -3.121 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.370 -5.130 -4.968 1.00 0.00 C ATOM 168 CZ PHE A 14 3.160 -3.913 -4.350 1.00 0.00 C ATOM 0 H PHE A 14 6.573 -7.379 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 14 7.365 -5.673 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.277 -7.871 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.435 -6.844 -1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.973 -4.409 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.320 -7.037 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.571 -2.706 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.920 -5.334 -5.928 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.546 -3.163 -4.827 1.00 0.00 H new ATOM 178 N LYS A 15 8.485 -6.898 -0.770 1.00 0.00 N ATOM 179 CA LYS A 15 9.289 -7.581 0.237 1.00 0.00 C ATOM 180 C LYS A 15 8.661 -7.442 1.620 1.00 0.00 C ATOM 181 O LYS A 15 7.986 -6.454 1.910 1.00 0.00 O ATOM 182 CB LYS A 15 10.712 -7.018 0.252 1.00 0.00 C ATOM 183 CG LYS A 15 11.425 -7.134 -1.084 1.00 0.00 C ATOM 184 CD LYS A 15 12.016 -8.520 -1.283 1.00 0.00 C ATOM 185 CE LYS A 15 13.394 -8.634 -0.649 1.00 0.00 C ATOM 186 NZ LYS A 15 13.311 -8.968 0.800 1.00 0.00 N ATOM 0 H LYS A 15 8.414 -5.889 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 15 9.327 -8.639 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.676 -5.969 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.293 -7.541 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.725 -6.917 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.218 -6.388 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.351 -9.266 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.085 -8.738 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.970 -9.402 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.931 -7.694 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.142 -9.530 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.287 -8.091 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.446 -9.517 0.981 1.00 0.00 H new ATOM 200 N VAL A 16 8.891 -8.436 2.472 1.00 0.00 N ATOM 201 CA VAL A 16 8.350 -8.423 3.826 1.00 0.00 C ATOM 202 C VAL A 16 8.943 -7.280 4.643 1.00 0.00 C ATOM 203 O VAL A 16 10.157 -7.083 4.665 1.00 0.00 O ATOM 204 CB VAL A 16 8.622 -9.754 4.552 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.120 -9.692 5.987 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.978 -10.910 3.803 1.00 0.00 C ATOM 0 H VAL A 16 9.448 -9.260 2.249 1.00 0.00 H new ATOM 0 HA VAL A 16 7.273 -8.281 3.736 1.00 0.00 H new ATOM 0 HB VAL A 16 9.699 -9.921 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.321 -10.641 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.632 -8.889 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.047 -9.501 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.180 -11.843 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.901 -10.752 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.390 -10.966 2.796 1.00 0.00 H new ATOM 216 N GLY A 17 8.076 -6.529 5.317 1.00 0.00 N ATOM 217 CA GLY A 17 8.533 -5.415 6.127 1.00 0.00 C ATOM 218 C GLY A 17 8.051 -4.079 5.599 1.00 0.00 C ATOM 219 O GLY A 17 7.704 -3.187 6.373 1.00 0.00 O ATOM 0 H GLY A 17 7.066 -6.673 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.182 -5.546 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.622 -5.417 6.161 1.00 0.00 H new ATOM 223 N MET A 18 8.030 -3.939 4.278 1.00 0.00 N ATOM 224 CA MET A 18 7.588 -2.700 3.648 1.00 0.00 C ATOM 225 C MET A 18 6.086 -2.506 3.827 1.00 0.00 C ATOM 226 O MET A 18 5.286 -3.339 3.399 1.00 0.00 O ATOM 227 CB MET A 18 7.940 -2.706 2.159 1.00 0.00 C ATOM 228 CG MET A 18 9.429 -2.845 1.887 1.00 0.00 C ATOM 229 SD MET A 18 9.915 -2.132 0.304 1.00 0.00 S ATOM 230 CE MET A 18 10.078 -3.608 -0.697 1.00 0.00 C ATOM 0 H MET A 18 8.314 -4.668 3.623 1.00 0.00 H new ATOM 0 HA MET A 18 8.104 -1.871 4.132 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.412 -3.526 1.673 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.581 -1.782 1.705 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.987 -2.359 2.687 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.701 -3.900 1.904 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.880 -3.364 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.090 -4.002 -0.602 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.363 -4.358 -0.358 1.00 0.00 H new ATOM 240 N LYS A 19 5.708 -1.402 4.462 1.00 0.00 N ATOM 241 CA LYS A 19 4.301 -1.097 4.697 1.00 0.00 C ATOM 242 C LYS A 19 3.659 -0.497 3.450 1.00 0.00 C ATOM 243 O LYS A 19 4.347 0.041 2.582 1.00 0.00 O ATOM 244 CB LYS A 19 4.158 -0.128 5.873 1.00 0.00 C ATOM 245 CG LYS A 19 4.442 -0.764 7.222 1.00 0.00 C ATOM 246 CD LYS A 19 4.847 0.275 8.254 1.00 0.00 C ATOM 247 CE LYS A 19 5.587 -0.358 9.423 1.00 0.00 C ATOM 248 NZ LYS A 19 6.098 0.665 10.376 1.00 0.00 N ATOM 0 H LYS A 19 6.357 -0.703 4.824 1.00 0.00 H new ATOM 0 HA LYS A 19 3.788 -2.028 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.838 0.711 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.146 0.278 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.556 -1.296 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.237 -1.503 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.481 1.027 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.959 0.791 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.920 -1.042 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.420 -0.952 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.040 0.383 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.164 1.585 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.447 0.743 11.184 1.00 0.00 H new ATOM 262 N LEU A 20 2.336 -0.592 3.367 1.00 0.00 N ATOM 263 CA LEU A 20 1.600 -0.058 2.227 1.00 0.00 C ATOM 264 C LEU A 20 0.120 0.102 2.560 1.00 0.00 C ATOM 265 O LEU A 20 -0.371 -0.469 3.533 1.00 0.00 O ATOM 266 CB LEU A 20 1.766 -0.974 1.013 1.00 0.00 C ATOM 267 CG LEU A 20 0.973 -2.281 1.046 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.621 -2.727 -0.365 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.759 -3.364 1.770 1.00 0.00 C ATOM 0 H LEU A 20 1.751 -1.034 4.076 1.00 0.00 H new ATOM 0 HA LEU A 20 2.008 0.925 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.476 -0.418 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.823 -1.216 0.907 1.00 0.00 H new ATOM 0 HG LEU A 20 0.046 -2.108 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.057 -3.659 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.017 -1.959 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.536 -2.883 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.179 -4.287 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.703 -3.536 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.959 -3.046 2.793 1.00 0.00 H new ATOM 281 N GLU A 21 -0.584 0.880 1.744 1.00 0.00 N ATOM 282 CA GLU A 21 -2.009 1.112 1.953 1.00 0.00 C ATOM 283 C GLU A 21 -2.845 0.202 1.058 1.00 0.00 C ATOM 284 O GLU A 21 -2.647 0.153 -0.155 1.00 0.00 O ATOM 285 CB GLU A 21 -2.355 2.577 1.675 1.00 0.00 C ATOM 286 CG GLU A 21 -1.898 3.528 2.768 1.00 0.00 C ATOM 287 CD GLU A 21 -2.188 4.979 2.437 1.00 0.00 C ATOM 288 OE1 GLU A 21 -2.321 5.300 1.238 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.283 5.794 3.379 1.00 0.00 O ATOM 0 H GLU A 21 -0.192 1.360 0.934 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.240 0.882 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.900 2.876 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.434 2.670 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.394 3.266 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.827 3.403 2.929 1.00 0.00 H new ATOM 296 N GLY A 22 -3.782 -0.519 1.668 1.00 0.00 N ATOM 297 CA GLY A 22 -4.634 -1.419 0.913 1.00 0.00 C ATOM 298 C GLY A 22 -6.108 -1.137 1.127 1.00 0.00 C ATOM 299 O GLY A 22 -6.494 -0.545 2.135 1.00 0.00 O ATOM 0 H GLY A 22 -3.966 -0.495 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.401 -1.331 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.418 -2.447 1.203 1.00 0.00 H new ATOM 303 N VAL A 23 -6.934 -1.561 0.176 1.00 0.00 N ATOM 304 CA VAL A 23 -8.374 -1.351 0.265 1.00 0.00 C ATOM 305 C VAL A 23 -9.067 -2.554 0.894 1.00 0.00 C ATOM 306 O VAL A 23 -8.673 -3.698 0.669 1.00 0.00 O ATOM 307 CB VAL A 23 -8.989 -1.086 -1.122 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.493 -1.313 -1.092 1.00 0.00 C ATOM 309 CG2 VAL A 23 -8.664 0.326 -1.588 1.00 0.00 C ATOM 0 H VAL A 23 -6.631 -2.052 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.528 -0.476 0.896 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.554 -1.788 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.910 -1.121 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.700 -2.344 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.949 -0.637 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.106 0.496 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.070 1.046 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.583 0.448 -1.651 1.00 0.00 H new ATOM 319 N ASP A 24 -10.102 -2.287 1.683 1.00 0.00 N ATOM 320 CA ASP A 24 -10.853 -3.348 2.344 1.00 0.00 C ATOM 321 C ASP A 24 -11.814 -4.023 1.370 1.00 0.00 C ATOM 322 O ASP A 24 -12.436 -3.377 0.526 1.00 0.00 O ATOM 323 CB ASP A 24 -11.627 -2.787 3.538 1.00 0.00 C ATOM 324 CG ASP A 24 -11.818 -3.812 4.638 1.00 0.00 C ATOM 325 OD1 ASP A 24 -10.948 -3.893 5.531 1.00 0.00 O ATOM 326 OD2 ASP A 24 -12.837 -4.532 4.608 1.00 0.00 O ATOM 0 H ASP A 24 -10.440 -1.345 1.880 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.142 -4.094 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.096 -1.924 3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.602 -2.434 3.202 1.00 0.00 H new ATOM 331 N PRO A 25 -11.939 -5.353 1.488 1.00 0.00 N ATOM 332 CA PRO A 25 -12.822 -6.144 0.626 1.00 0.00 C ATOM 333 C PRO A 25 -14.297 -5.882 0.910 1.00 0.00 C ATOM 334 O PRO A 25 -15.174 -6.501 0.308 1.00 0.00 O ATOM 335 CB PRO A 25 -12.459 -7.589 0.976 1.00 0.00 C ATOM 336 CG PRO A 25 -11.920 -7.519 2.363 1.00 0.00 C ATOM 337 CD PRO A 25 -11.229 -6.187 2.471 1.00 0.00 C ATOM 0 HA PRO A 25 -12.688 -5.900 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.331 -8.240 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.719 -7.990 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.721 -7.604 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.224 -8.336 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.306 -5.775 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.167 -6.265 2.239 1.00 0.00 H new ATOM 345 N GLU A 26 -14.563 -4.961 1.831 1.00 0.00 N ATOM 346 CA GLU A 26 -15.933 -4.618 2.195 1.00 0.00 C ATOM 347 C GLU A 26 -16.379 -3.339 1.491 1.00 0.00 C ATOM 348 O GLU A 26 -17.572 -3.113 1.287 1.00 0.00 O ATOM 349 CB GLU A 26 -16.055 -4.448 3.710 1.00 0.00 C ATOM 350 CG GLU A 26 -15.759 -5.718 4.491 1.00 0.00 C ATOM 351 CD GLU A 26 -16.990 -6.581 4.688 1.00 0.00 C ATOM 352 OE1 GLU A 26 -18.096 -6.017 4.821 1.00 0.00 O ATOM 353 OE2 GLU A 26 -16.847 -7.822 4.708 1.00 0.00 O ATOM 0 H GLU A 26 -13.848 -4.439 2.338 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.581 -5.434 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.371 -3.664 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.064 -4.111 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.996 -6.294 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.345 -5.454 5.464 1.00 0.00 H new ATOM 360 N HIS A 27 -15.411 -2.505 1.123 1.00 0.00 N ATOM 361 CA HIS A 27 -15.703 -1.248 0.443 1.00 0.00 C ATOM 362 C HIS A 27 -14.523 -0.811 -0.419 1.00 0.00 C ATOM 363 O HIS A 27 -13.389 -0.739 0.055 1.00 0.00 O ATOM 364 CB HIS A 27 -16.038 -0.158 1.461 1.00 0.00 C ATOM 365 CG HIS A 27 -17.278 -0.439 2.253 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.269 -1.130 3.446 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.571 -0.115 2.017 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.503 -1.221 3.909 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.312 -0.612 3.061 1.00 0.00 N ATOM 0 H HIS A 27 -14.419 -2.677 1.284 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.565 -1.405 -0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.198 -0.041 2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.158 0.791 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.949 0.432 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -18.800 -1.710 4.825 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.323 -0.525 3.165 1.00 0.00 H new ATOM 378 N GLN A 28 -14.797 -0.521 -1.687 1.00 0.00 N ATOM 379 CA GLN A 28 -13.758 -0.092 -2.615 1.00 0.00 C ATOM 380 C GLN A 28 -13.507 1.408 -2.496 1.00 0.00 C ATOM 381 O GLN A 28 -13.011 2.040 -3.428 1.00 0.00 O ATOM 382 CB GLN A 28 -14.150 -0.443 -4.051 1.00 0.00 C ATOM 383 CG GLN A 28 -13.847 -1.884 -4.429 1.00 0.00 C ATOM 384 CD GLN A 28 -12.429 -2.071 -4.930 1.00 0.00 C ATOM 385 OE1 GLN A 28 -11.610 -2.724 -4.281 1.00 0.00 O ATOM 386 NE2 GLN A 28 -12.130 -1.498 -6.090 1.00 0.00 N ATOM 0 H GLN A 28 -15.730 -0.575 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.838 -0.617 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.216 -0.258 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.623 0.222 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.009 -2.525 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.546 -2.208 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.840 -0.966 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.191 -1.590 -6.477 1.00 0.00 H new ATOM 395 N SER A 29 -13.853 1.971 -1.343 1.00 0.00 N ATOM 396 CA SER A 29 -13.669 3.398 -1.103 1.00 0.00 C ATOM 397 C SER A 29 -12.826 3.635 0.146 1.00 0.00 C ATOM 398 O SER A 29 -12.227 4.697 0.313 1.00 0.00 O ATOM 399 CB SER A 29 -15.025 4.091 -0.956 1.00 0.00 C ATOM 400 OG SER A 29 -15.662 3.714 0.252 1.00 0.00 O ATOM 0 H SER A 29 -14.262 1.461 -0.560 1.00 0.00 H new ATOM 0 HA SER A 29 -13.144 3.820 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.888 5.172 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.662 3.834 -1.802 1.00 0.00 H new ATOM 0 HG SER A 29 -16.526 4.172 0.323 1.00 0.00 H new ATOM 406 N VAL A 30 -12.784 2.636 1.022 1.00 0.00 N ATOM 407 CA VAL A 30 -12.014 2.734 2.257 1.00 0.00 C ATOM 408 C VAL A 30 -10.598 2.204 2.064 1.00 0.00 C ATOM 409 O VAL A 30 -10.394 1.155 1.452 1.00 0.00 O ATOM 410 CB VAL A 30 -12.690 1.958 3.403 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.832 2.004 4.658 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.080 2.513 3.675 1.00 0.00 C ATOM 0 H VAL A 30 -13.274 1.750 0.900 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.971 3.791 2.521 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.794 0.916 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.326 1.451 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.861 1.554 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.694 3.040 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.543 1.953 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.004 3.563 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.691 2.421 2.777 1.00 0.00 H new ATOM 422 N TYR A 31 -9.622 2.935 2.591 1.00 0.00 N ATOM 423 CA TYR A 31 -8.223 2.540 2.476 1.00 0.00 C ATOM 424 C TYR A 31 -7.615 2.281 3.851 1.00 0.00 C ATOM 425 O TYR A 31 -7.455 3.201 4.654 1.00 0.00 O ATOM 426 CB TYR A 31 -7.424 3.622 1.748 1.00 0.00 C ATOM 427 CG TYR A 31 -7.763 3.740 0.280 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.304 2.804 -0.638 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.545 4.789 -0.191 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.611 2.908 -1.981 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.858 4.901 -1.532 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.388 3.958 -2.423 1.00 0.00 C ATOM 433 OH TYR A 31 -8.697 4.066 -3.759 1.00 0.00 O ATOM 0 H TYR A 31 -9.774 3.805 3.102 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.179 1.616 1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.604 4.582 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.360 3.407 1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.696 1.980 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.914 5.529 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.245 2.171 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.467 5.722 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.253 4.860 -3.903 1.00 0.00 H new ATOM 443 N CYS A 32 -7.278 1.024 4.115 1.00 0.00 N ATOM 444 CA CYS A 32 -6.688 0.642 5.393 1.00 0.00 C ATOM 445 C CYS A 32 -5.189 0.399 5.248 1.00 0.00 C ATOM 446 O CYS A 32 -4.690 0.171 4.146 1.00 0.00 O ATOM 447 CB CYS A 32 -7.370 -0.613 5.939 1.00 0.00 C ATOM 448 SG CYS A 32 -7.739 -1.859 4.682 1.00 0.00 S ATOM 0 H CYS A 32 -7.403 0.251 3.461 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.839 1.462 6.095 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.730 -1.059 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.298 -0.324 6.432 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.156 -1.536 3.566 1.00 0.00 H new ATOM 454 N VAL A 33 -4.475 0.451 6.368 1.00 0.00 N ATOM 455 CA VAL A 33 -3.033 0.238 6.367 1.00 0.00 C ATOM 456 C VAL A 33 -2.695 -1.234 6.575 1.00 0.00 C ATOM 457 O VAL A 33 -3.153 -1.858 7.533 1.00 0.00 O ATOM 458 CB VAL A 33 -2.341 1.072 7.461 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.989 0.821 8.814 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.853 0.759 7.508 1.00 0.00 C ATOM 0 H VAL A 33 -4.872 0.639 7.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.667 0.558 5.391 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.460 2.128 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.487 1.419 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.042 1.099 8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.903 -0.236 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.380 1.357 8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.711 -0.299 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.401 0.995 6.544 1.00 0.00 H new ATOM 470 N LEU A 34 -1.891 -1.784 5.672 1.00 0.00 N ATOM 471 CA LEU A 34 -1.491 -3.185 5.756 1.00 0.00 C ATOM 472 C LEU A 34 0.026 -3.322 5.680 1.00 0.00 C ATOM 473 O LEU A 34 0.726 -2.393 5.277 1.00 0.00 O ATOM 474 CB LEU A 34 -2.144 -3.991 4.632 1.00 0.00 C ATOM 475 CG LEU A 34 -3.635 -3.738 4.403 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.022 -4.086 2.974 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.470 -4.536 5.394 1.00 0.00 C ATOM 0 H LEU A 34 -1.503 -1.282 4.873 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.826 -3.576 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.613 -3.778 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.004 -5.051 4.844 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.833 -2.678 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.086 -3.900 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.449 -3.470 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.809 -5.138 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.528 -4.344 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.268 -5.600 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.213 -4.237 6.410 1.00 0.00 H new ATOM 489 N THR A 35 0.530 -4.490 6.069 1.00 0.00 N ATOM 490 CA THR A 35 1.964 -4.750 6.044 1.00 0.00 C ATOM 491 C THR A 35 2.267 -6.093 5.389 1.00 0.00 C ATOM 492 O THR A 35 1.672 -7.113 5.735 1.00 0.00 O ATOM 493 CB THR A 35 2.561 -4.738 7.464 1.00 0.00 C ATOM 494 OG1 THR A 35 2.208 -3.523 8.134 1.00 0.00 O ATOM 495 CG2 THR A 35 4.075 -4.875 7.415 1.00 0.00 C ATOM 0 H THR A 35 -0.034 -5.270 6.405 1.00 0.00 H new ATOM 0 HA THR A 35 2.421 -3.952 5.459 1.00 0.00 H new ATOM 0 HB THR A 35 2.153 -5.586 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.590 -3.524 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.474 -4.864 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.340 -5.815 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.497 -4.044 6.850 1.00 0.00 H new ATOM 503 N VAL A 36 3.199 -6.085 4.440 1.00 0.00 N ATOM 504 CA VAL A 36 3.583 -7.304 3.737 1.00 0.00 C ATOM 505 C VAL A 36 4.108 -8.356 4.708 1.00 0.00 C ATOM 506 O VAL A 36 5.241 -8.271 5.178 1.00 0.00 O ATOM 507 CB VAL A 36 4.660 -7.021 2.673 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.035 -8.300 1.940 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.177 -5.959 1.696 1.00 0.00 C ATOM 0 H VAL A 36 3.701 -5.249 4.141 1.00 0.00 H new ATOM 0 HA VAL A 36 2.687 -7.683 3.246 1.00 0.00 H new ATOM 0 HB VAL A 36 5.551 -6.643 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.797 -8.081 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.425 -9.027 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.152 -8.710 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.950 -5.771 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.271 -6.307 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.963 -5.037 2.237 1.00 0.00 H new ATOM 519 N ALA A 37 3.274 -9.349 5.002 1.00 0.00 N ATOM 520 CA ALA A 37 3.655 -10.420 5.915 1.00 0.00 C ATOM 521 C ALA A 37 4.342 -11.558 5.169 1.00 0.00 C ATOM 522 O ALA A 37 5.312 -12.136 5.658 1.00 0.00 O ATOM 523 CB ALA A 37 2.433 -10.936 6.661 1.00 0.00 C ATOM 0 H ALA A 37 2.331 -9.434 4.622 1.00 0.00 H new ATOM 0 HA ALA A 37 4.364 -10.015 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.731 -11.735 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.986 -10.123 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.705 -11.320 5.946 1.00 0.00 H new ATOM 529 N GLU A 38 3.832 -11.875 3.983 1.00 0.00 N ATOM 530 CA GLU A 38 4.397 -12.947 3.171 1.00 0.00 C ATOM 531 C GLU A 38 4.267 -12.629 1.684 1.00 0.00 C ATOM 532 O GLU A 38 3.320 -11.968 1.260 1.00 0.00 O ATOM 533 CB GLU A 38 3.703 -14.274 3.483 1.00 0.00 C ATOM 534 CG GLU A 38 4.548 -15.494 3.160 1.00 0.00 C ATOM 535 CD GLU A 38 5.575 -15.793 4.235 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.641 -15.141 4.235 1.00 0.00 O ATOM 537 OE2 GLU A 38 5.314 -16.678 5.076 1.00 0.00 O ATOM 0 H GLU A 38 3.030 -11.406 3.563 1.00 0.00 H new ATOM 0 HA GLU A 38 5.456 -13.034 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.438 -14.296 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.771 -14.328 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.897 -16.359 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.058 -15.337 2.209 1.00 0.00 H new ATOM 544 N VAL A 39 5.227 -13.105 0.897 1.00 0.00 N ATOM 545 CA VAL A 39 5.221 -12.873 -0.542 1.00 0.00 C ATOM 546 C VAL A 39 5.561 -14.148 -1.306 1.00 0.00 C ATOM 547 O VAL A 39 6.612 -14.752 -1.088 1.00 0.00 O ATOM 548 CB VAL A 39 6.220 -11.769 -0.937 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.190 -11.534 -2.440 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.918 -10.483 -0.182 1.00 0.00 C ATOM 0 H VAL A 39 6.019 -13.654 1.232 1.00 0.00 H new ATOM 0 HA VAL A 39 4.213 -12.552 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 39 7.223 -12.097 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.902 -10.751 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.458 -12.455 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.188 -11.228 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.633 -9.714 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.908 -10.149 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.996 -10.664 0.890 1.00 0.00 H new ATOM 560 N CYS A 40 4.667 -14.551 -2.201 1.00 0.00 N ATOM 561 CA CYS A 40 4.872 -15.755 -2.998 1.00 0.00 C ATOM 562 C CYS A 40 4.074 -15.690 -4.296 1.00 0.00 C ATOM 563 O CYS A 40 3.156 -14.883 -4.433 1.00 0.00 O ATOM 564 CB CYS A 40 4.469 -16.995 -2.199 1.00 0.00 C ATOM 565 SG CYS A 40 5.385 -18.490 -2.645 1.00 0.00 S ATOM 0 H CYS A 40 3.793 -14.062 -2.393 1.00 0.00 H new ATOM 0 HA CYS A 40 5.931 -15.820 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.617 -16.794 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.404 -17.177 -2.344 1.00 0.00 H new ATOM 0 HG CYS A 40 4.975 -19.484 -1.914 1.00 0.00 H new ATOM 571 N GLY A 41 4.432 -16.546 -5.249 1.00 0.00 N ATOM 572 CA GLY A 41 3.741 -16.569 -6.525 1.00 0.00 C ATOM 573 C GLY A 41 3.408 -15.178 -7.028 1.00 0.00 C ATOM 574 O GLY A 41 4.181 -14.239 -6.837 1.00 0.00 O ATOM 0 H GLY A 41 5.189 -17.224 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.361 -17.080 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.822 -17.146 -6.427 1.00 0.00 H new ATOM 578 N TYR A 42 2.255 -15.045 -7.674 1.00 0.00 N ATOM 579 CA TYR A 42 1.823 -13.760 -8.211 1.00 0.00 C ATOM 580 C TYR A 42 0.842 -13.077 -7.264 1.00 0.00 C ATOM 581 O TYR A 42 -0.093 -12.405 -7.700 1.00 0.00 O ATOM 582 CB TYR A 42 1.177 -13.948 -9.584 1.00 0.00 C ATOM 583 CG TYR A 42 1.130 -12.682 -10.410 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.229 -12.275 -11.156 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.013 -11.893 -10.443 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.191 -11.119 -11.911 1.00 0.00 C ATOM 587 CE2 TYR A 42 -0.061 -10.736 -11.196 1.00 0.00 C ATOM 588 CZ TYR A 42 1.044 -10.353 -11.928 1.00 0.00 C ATOM 589 OH TYR A 42 1.001 -9.201 -12.679 1.00 0.00 O ATOM 0 H TYR A 42 1.602 -15.812 -7.839 1.00 0.00 H new ATOM 0 HA TYR A 42 2.702 -13.124 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.728 -14.710 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.162 -14.323 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.128 -12.873 -11.145 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.879 -12.189 -9.870 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.055 -10.817 -12.485 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.958 -10.135 -11.212 1.00 0.00 H new ATOM 0 HH TYR A 42 0.121 -8.780 -12.582 1.00 0.00 H new ATOM 599 N ARG A 43 1.063 -13.252 -5.965 1.00 0.00 N ATOM 600 CA ARG A 43 0.199 -12.654 -4.955 1.00 0.00 C ATOM 601 C ARG A 43 0.991 -12.308 -3.698 1.00 0.00 C ATOM 602 O ARG A 43 2.076 -12.843 -3.469 1.00 0.00 O ATOM 603 CB ARG A 43 -0.946 -13.606 -4.603 1.00 0.00 C ATOM 604 CG ARG A 43 -2.056 -13.632 -5.641 1.00 0.00 C ATOM 605 CD ARG A 43 -3.010 -14.793 -5.407 1.00 0.00 C ATOM 606 NE ARG A 43 -2.438 -16.066 -5.836 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.935 -17.249 -5.491 1.00 0.00 C ATOM 608 NH1 ARG A 43 -4.009 -17.320 -4.716 1.00 0.00 N ATOM 609 NH2 ARG A 43 -2.358 -18.364 -5.921 1.00 0.00 N ATOM 0 H ARG A 43 1.834 -13.803 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.216 -11.734 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.547 -14.613 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.367 -13.315 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.609 -12.693 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.622 -13.711 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.262 -14.847 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.940 -14.613 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.611 -16.046 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.455 -16.465 -4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.389 -18.229 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.532 -18.314 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.741 -19.271 -5.655 1.00 0.00 H new ATOM 623 N ILE A 44 0.442 -11.409 -2.887 1.00 0.00 N ATOM 624 CA ILE A 44 1.097 -10.993 -1.653 1.00 0.00 C ATOM 625 C ILE A 44 0.128 -11.030 -0.477 1.00 0.00 C ATOM 626 O ILE A 44 -1.052 -10.707 -0.619 1.00 0.00 O ATOM 627 CB ILE A 44 1.681 -9.573 -1.778 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.611 -8.599 -2.276 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.881 -9.575 -2.714 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.005 -7.146 -2.135 1.00 0.00 C ATOM 0 H ILE A 44 -0.454 -10.955 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 44 1.909 -11.697 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 44 2.013 -9.245 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.399 -8.810 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.312 -8.772 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.283 -8.565 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.648 -10.241 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.572 -9.920 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.200 -6.513 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.189 -6.919 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.911 -6.957 -2.711 1.00 0.00 H new ATOM 642 N LYS A 45 0.634 -11.425 0.687 1.00 0.00 N ATOM 643 CA LYS A 45 -0.185 -11.502 1.891 1.00 0.00 C ATOM 644 C LYS A 45 -0.385 -10.118 2.502 1.00 0.00 C ATOM 645 O LYS A 45 0.559 -9.335 2.613 1.00 0.00 O ATOM 646 CB LYS A 45 0.465 -12.434 2.916 1.00 0.00 C ATOM 647 CG LYS A 45 -0.508 -12.974 3.950 1.00 0.00 C ATOM 648 CD LYS A 45 0.053 -14.194 4.661 1.00 0.00 C ATOM 649 CE LYS A 45 -1.050 -15.024 5.298 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.334 -14.591 6.694 1.00 0.00 N ATOM 0 H LYS A 45 1.608 -11.697 0.822 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.160 -11.902 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.927 -13.271 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.264 -11.897 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.732 -12.197 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.448 -13.235 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.607 -14.807 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.760 -13.877 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.958 -14.941 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.761 -16.075 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.325 -14.803 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.707 -15.100 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.169 -13.568 6.781 1.00 0.00 H new ATOM 664 N LEU A 46 -1.618 -9.825 2.899 1.00 0.00 N ATOM 665 CA LEU A 46 -1.942 -8.536 3.501 1.00 0.00 C ATOM 666 C LEU A 46 -2.364 -8.706 4.957 1.00 0.00 C ATOM 667 O LEU A 46 -3.290 -9.459 5.263 1.00 0.00 O ATOM 668 CB LEU A 46 -3.057 -7.848 2.712 1.00 0.00 C ATOM 669 CG LEU A 46 -2.654 -7.248 1.365 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.611 -6.157 1.557 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.129 -8.331 0.434 1.00 0.00 C ATOM 0 H LEU A 46 -2.410 -10.462 2.815 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.047 -7.914 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.854 -8.572 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.475 -7.054 3.330 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.538 -6.802 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.336 -5.742 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.022 -5.368 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.727 -6.579 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.847 -7.885 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.258 -8.807 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.906 -9.078 0.270 1.00 0.00 H new ATOM 683 N HIS A 47 -1.681 -8.000 5.852 1.00 0.00 N ATOM 684 CA HIS A 47 -1.987 -8.070 7.277 1.00 0.00 C ATOM 685 C HIS A 47 -2.660 -6.786 7.752 1.00 0.00 C ATOM 686 O HIS A 47 -2.254 -5.686 7.379 1.00 0.00 O ATOM 687 CB HIS A 47 -0.711 -8.319 8.082 1.00 0.00 C ATOM 688 CG HIS A 47 -0.837 -7.958 9.530 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.585 -8.692 10.427 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.304 -6.934 10.237 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.508 -8.134 11.622 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.735 -7.066 11.534 1.00 0.00 N ATOM 0 H HIS A 47 -0.912 -7.373 5.616 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.676 -8.900 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.439 -9.371 8.001 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.104 -7.744 7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.341 -6.157 9.852 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.994 -8.490 12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.497 -6.441 12.304 1.00 0.00 H new ATOM 701 N PHE A 48 -3.692 -6.935 8.576 1.00 0.00 N ATOM 702 CA PHE A 48 -4.423 -5.788 9.100 1.00 0.00 C ATOM 703 C PHE A 48 -3.706 -5.192 10.309 1.00 0.00 C ATOM 704 O PHE A 48 -3.571 -5.842 11.346 1.00 0.00 O ATOM 705 CB PHE A 48 -5.846 -6.196 9.487 1.00 0.00 C ATOM 706 CG PHE A 48 -6.834 -6.060 8.364 1.00 0.00 C ATOM 707 CD1 PHE A 48 -7.340 -4.819 8.015 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.258 -7.175 7.658 1.00 0.00 C ATOM 709 CE1 PHE A 48 -8.250 -4.692 6.982 1.00 0.00 C ATOM 710 CE2 PHE A 48 -8.168 -7.054 6.625 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.664 -5.810 6.286 1.00 0.00 C ATOM 0 H PHE A 48 -4.041 -7.839 8.895 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.470 -5.031 8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.838 -7.230 9.830 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.175 -5.584 10.327 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.020 -3.941 8.556 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.873 -8.150 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.637 -3.718 6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.491 -7.931 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.374 -5.712 5.478 1.00 0.00 H new ATOM 721 N ASP A 49 -3.249 -3.953 10.167 1.00 0.00 N ATOM 722 CA ASP A 49 -2.546 -3.269 11.246 1.00 0.00 C ATOM 723 C ASP A 49 -3.439 -3.135 12.476 1.00 0.00 C ATOM 724 O ASP A 49 -4.375 -2.337 12.492 1.00 0.00 O ATOM 725 CB ASP A 49 -2.081 -1.887 10.785 1.00 0.00 C ATOM 726 CG ASP A 49 -0.823 -1.432 11.498 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.935 -0.931 12.636 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.274 -1.576 10.918 1.00 0.00 O ATOM 0 H ASP A 49 -3.353 -3.402 9.315 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.674 -3.866 11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.899 -1.908 9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.876 -1.162 10.959 1.00 0.00 H new ATOM 733 N GLY A 50 -3.142 -3.922 13.506 1.00 0.00 N ATOM 734 CA GLY A 50 -3.927 -3.876 14.725 1.00 0.00 C ATOM 735 C GLY A 50 -4.744 -5.136 14.936 1.00 0.00 C ATOM 736 O GLY A 50 -4.732 -5.716 16.022 1.00 0.00 O ATOM 0 H GLY A 50 -2.372 -4.590 13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.262 -3.731 15.576 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.595 -3.015 14.691 1.00 0.00 H new ATOM 740 N TYR A 51 -5.456 -5.559 13.898 1.00 0.00 N ATOM 741 CA TYR A 51 -6.285 -6.755 13.976 1.00 0.00 C ATOM 742 C TYR A 51 -5.428 -8.016 13.924 1.00 0.00 C ATOM 743 O TYR A 51 -4.279 -7.982 13.485 1.00 0.00 O ATOM 744 CB TYR A 51 -7.304 -6.770 12.835 1.00 0.00 C ATOM 745 CG TYR A 51 -8.269 -5.606 12.870 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.904 -4.360 12.376 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.546 -5.753 13.397 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.782 -3.294 12.406 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.432 -4.693 13.431 1.00 0.00 C ATOM 750 CZ TYR A 51 -10.045 -3.466 12.935 1.00 0.00 C ATOM 751 OH TYR A 51 -10.923 -2.407 12.966 1.00 0.00 O ATOM 0 H TYR A 51 -5.476 -5.091 12.992 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.816 -6.737 14.928 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.772 -6.762 11.884 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.869 -7.701 12.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.916 -4.222 11.961 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.852 -6.713 13.787 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.482 -2.332 12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.421 -4.825 13.843 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.769 -2.695 13.368 1.00 0.00 H new ATOM 761 N SER A 52 -5.998 -9.130 14.375 1.00 0.00 N ATOM 762 CA SER A 52 -5.287 -10.403 14.383 1.00 0.00 C ATOM 763 C SER A 52 -4.933 -10.837 12.964 1.00 0.00 C ATOM 764 O SER A 52 -5.551 -10.394 11.995 1.00 0.00 O ATOM 765 CB SER A 52 -6.134 -11.480 15.062 1.00 0.00 C ATOM 766 OG SER A 52 -5.883 -11.524 16.456 1.00 0.00 O ATOM 0 H SER A 52 -6.950 -9.176 14.739 1.00 0.00 H new ATOM 0 HA SER A 52 -4.362 -10.271 14.945 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.191 -11.280 14.886 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.915 -12.452 14.619 1.00 0.00 H new ATOM 0 HG SER A 52 -6.438 -12.219 16.867 1.00 0.00 H new ATOM 772 N ASP A 53 -3.935 -11.706 12.849 1.00 0.00 N ATOM 773 CA ASP A 53 -3.499 -12.202 11.549 1.00 0.00 C ATOM 774 C ASP A 53 -4.324 -13.413 11.124 1.00 0.00 C ATOM 775 O ASP A 53 -3.811 -14.334 10.487 1.00 0.00 O ATOM 776 CB ASP A 53 -2.015 -12.571 11.592 1.00 0.00 C ATOM 777 CG ASP A 53 -1.769 -13.904 12.271 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.302 -14.112 13.381 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.044 -14.739 11.692 1.00 0.00 O ATOM 0 H ASP A 53 -3.413 -12.082 13.640 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.648 -11.408 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.623 -12.607 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.465 -11.791 12.119 1.00 0.00 H new ATOM 784 N CYS A 54 -5.603 -13.405 11.482 1.00 0.00 N ATOM 785 CA CYS A 54 -6.500 -14.503 11.139 1.00 0.00 C ATOM 786 C CYS A 54 -7.300 -14.180 9.882 1.00 0.00 C ATOM 787 O CYS A 54 -7.522 -15.046 9.035 1.00 0.00 O ATOM 788 CB CYS A 54 -7.450 -14.795 12.302 1.00 0.00 C ATOM 789 SG CYS A 54 -8.334 -16.365 12.156 1.00 0.00 S ATOM 0 H CYS A 54 -6.042 -12.651 12.010 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.893 -15.387 10.944 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.880 -14.796 13.231 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.177 -13.986 12.375 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.110 -16.523 13.187 1.00 0.00 H new ATOM 795 N TYR A 55 -7.732 -12.929 9.767 1.00 0.00 N ATOM 796 CA TYR A 55 -8.511 -12.492 8.615 1.00 0.00 C ATOM 797 C TYR A 55 -7.605 -11.918 7.530 1.00 0.00 C ATOM 798 O TYR A 55 -7.954 -10.941 6.867 1.00 0.00 O ATOM 799 CB TYR A 55 -9.544 -11.446 9.038 1.00 0.00 C ATOM 800 CG TYR A 55 -10.277 -11.800 10.313 1.00 0.00 C ATOM 801 CD1 TYR A 55 -9.727 -11.513 11.556 1.00 0.00 C ATOM 802 CD2 TYR A 55 -11.519 -12.422 10.274 1.00 0.00 C ATOM 803 CE1 TYR A 55 -10.392 -11.835 12.723 1.00 0.00 C ATOM 804 CE2 TYR A 55 -12.192 -12.746 11.435 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.625 -12.451 12.657 1.00 0.00 C ATOM 806 OH TYR A 55 -12.292 -12.774 13.817 1.00 0.00 O ATOM 0 H TYR A 55 -7.556 -12.200 10.458 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.029 -13.361 8.209 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.044 -10.487 9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.270 -11.319 8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.763 -11.030 11.611 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.966 -12.656 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.950 -11.606 13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.157 -13.228 11.387 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.146 -13.201 13.595 1.00 0.00 H new ATOM 816 N ASP A 56 -6.441 -12.534 7.355 1.00 0.00 N ATOM 817 CA ASP A 56 -5.484 -12.087 6.349 1.00 0.00 C ATOM 818 C ASP A 56 -5.904 -12.546 4.957 1.00 0.00 C ATOM 819 O ASP A 56 -6.432 -13.645 4.787 1.00 0.00 O ATOM 820 CB ASP A 56 -4.086 -12.616 6.674 1.00 0.00 C ATOM 821 CG ASP A 56 -3.003 -11.922 5.872 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.144 -11.838 4.634 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.014 -11.462 6.481 1.00 0.00 O ATOM 0 H ASP A 56 -6.137 -13.344 7.896 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.464 -10.997 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.888 -12.482 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.051 -13.687 6.475 1.00 0.00 H new ATOM 828 N PHE A 57 -5.667 -11.697 3.963 1.00 0.00 N ATOM 829 CA PHE A 57 -6.023 -12.015 2.585 1.00 0.00 C ATOM 830 C PHE A 57 -4.894 -11.635 1.630 1.00 0.00 C ATOM 831 O PHE A 57 -4.033 -10.822 1.963 1.00 0.00 O ATOM 832 CB PHE A 57 -7.309 -11.287 2.187 1.00 0.00 C ATOM 833 CG PHE A 57 -7.200 -9.791 2.265 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.477 -9.085 1.318 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.821 -9.091 3.288 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.375 -7.708 1.387 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.723 -7.715 3.362 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.998 -7.022 2.411 1.00 0.00 C ATOM 0 H PHE A 57 -5.230 -10.784 4.086 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.186 -13.091 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.578 -11.571 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.120 -11.618 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.987 -9.617 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.387 -9.627 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.809 -7.170 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.213 -7.181 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.919 -5.946 2.469 1.00 0.00 H new ATOM 848 N TRP A 58 -4.907 -12.230 0.443 1.00 0.00 N ATOM 849 CA TRP A 58 -3.884 -11.956 -0.560 1.00 0.00 C ATOM 850 C TRP A 58 -4.471 -11.186 -1.738 1.00 0.00 C ATOM 851 O TRP A 58 -5.533 -11.535 -2.254 1.00 0.00 O ATOM 852 CB TRP A 58 -3.257 -13.262 -1.050 1.00 0.00 C ATOM 853 CG TRP A 58 -2.639 -14.073 0.049 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.247 -14.497 1.196 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.292 -14.554 0.105 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.359 -15.214 1.961 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.153 -15.264 1.314 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.190 -14.457 -0.749 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.043 -15.870 1.688 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.997 -15.058 -0.376 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.106 -15.758 0.833 1.00 0.00 C ATOM 0 H TRP A 58 -5.614 -12.905 0.151 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.111 -11.343 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.021 -13.859 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.496 -13.034 -1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.275 -14.298 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.565 -15.640 2.865 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.265 -13.922 -1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.129 -16.409 2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.855 -14.987 -1.027 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.047 -16.218 1.095 1.00 0.00 H new ATOM 872 N VAL A 59 -3.772 -10.137 -2.161 1.00 0.00 N ATOM 873 CA VAL A 59 -4.223 -9.319 -3.280 1.00 0.00 C ATOM 874 C VAL A 59 -3.361 -9.553 -4.515 1.00 0.00 C ATOM 875 O VAL A 59 -2.403 -10.324 -4.479 1.00 0.00 O ATOM 876 CB VAL A 59 -4.197 -7.820 -2.926 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.010 -7.554 -1.668 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.764 -7.338 -2.756 1.00 0.00 C ATOM 0 H VAL A 59 -2.891 -9.834 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.249 -9.616 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.649 -7.263 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.980 -6.490 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.043 -7.861 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.590 -8.121 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.764 -6.277 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.284 -7.899 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.216 -7.492 -3.685 1.00 0.00 H new ATOM 888 N ASN A 60 -3.708 -8.882 -5.609 1.00 0.00 N ATOM 889 CA ASN A 60 -2.966 -9.017 -6.857 1.00 0.00 C ATOM 890 C ASN A 60 -1.711 -8.149 -6.840 1.00 0.00 C ATOM 891 O ASN A 60 -1.781 -6.943 -6.603 1.00 0.00 O ATOM 892 CB ASN A 60 -3.850 -8.632 -8.044 1.00 0.00 C ATOM 893 CG ASN A 60 -5.258 -9.179 -7.918 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.482 -10.207 -7.279 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.216 -8.492 -8.530 1.00 0.00 N ATOM 0 H ASN A 60 -4.499 -8.239 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.664 -10.059 -6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.891 -7.546 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.400 -9.004 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.183 -8.812 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.984 -7.645 -9.049 1.00 0.00 H new ATOM 902 N ALA A 61 -0.564 -8.772 -7.092 1.00 0.00 N ATOM 903 CA ALA A 61 0.706 -8.056 -7.109 1.00 0.00 C ATOM 904 C ALA A 61 0.591 -6.751 -7.888 1.00 0.00 C ATOM 905 O ALA A 61 1.138 -5.725 -7.484 1.00 0.00 O ATOM 906 CB ALA A 61 1.798 -8.934 -7.703 1.00 0.00 C ATOM 0 H ALA A 61 -0.488 -9.770 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 61 0.971 -7.811 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.741 -8.387 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.906 -9.837 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.530 -9.208 -8.723 1.00 0.00 H new ATOM 912 N ASP A 62 -0.123 -6.797 -9.008 1.00 0.00 N ATOM 913 CA ASP A 62 -0.310 -5.617 -9.844 1.00 0.00 C ATOM 914 C ASP A 62 -1.676 -4.985 -9.595 1.00 0.00 C ATOM 915 O ASP A 62 -2.315 -4.481 -10.517 1.00 0.00 O ATOM 916 CB ASP A 62 -0.167 -5.985 -11.322 1.00 0.00 C ATOM 917 CG ASP A 62 0.092 -4.775 -12.197 1.00 0.00 C ATOM 918 OD1 ASP A 62 -0.406 -3.681 -11.860 1.00 0.00 O ATOM 919 OD2 ASP A 62 0.793 -4.922 -13.221 1.00 0.00 O ATOM 0 H ASP A 62 -0.581 -7.639 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 62 0.460 -4.891 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.651 -6.696 -11.439 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.075 -6.485 -11.658 1.00 0.00 H new ATOM 924 N ALA A 63 -2.118 -5.018 -8.342 1.00 0.00 N ATOM 925 CA ALA A 63 -3.407 -4.447 -7.971 1.00 0.00 C ATOM 926 C ALA A 63 -3.336 -2.925 -7.908 1.00 0.00 C ATOM 927 O ALA A 63 -2.365 -2.359 -7.404 1.00 0.00 O ATOM 928 CB ALA A 63 -3.869 -5.012 -6.635 1.00 0.00 C ATOM 0 H ALA A 63 -1.602 -5.434 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.132 -4.719 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.833 -4.577 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.968 -6.095 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.137 -4.769 -5.865 1.00 0.00 H new ATOM 934 N LEU A 64 -4.370 -2.268 -8.422 1.00 0.00 N ATOM 935 CA LEU A 64 -4.425 -0.811 -8.425 1.00 0.00 C ATOM 936 C LEU A 64 -4.961 -0.283 -7.098 1.00 0.00 C ATOM 937 O LEU A 64 -4.484 0.728 -6.582 1.00 0.00 O ATOM 938 CB LEU A 64 -5.303 -0.316 -9.576 1.00 0.00 C ATOM 939 CG LEU A 64 -4.907 -0.792 -10.974 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.071 -0.635 -11.940 1.00 0.00 C ATOM 941 CD2 LEU A 64 -3.690 -0.027 -11.473 1.00 0.00 C ATOM 0 H LEU A 64 -5.181 -2.721 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.411 -0.435 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.329 -0.629 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.296 0.774 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.648 -1.849 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.771 -0.979 -12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.916 -1.228 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.361 0.414 -11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.422 -0.379 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.921 1.037 -11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.854 -0.191 -10.794 1.00 0.00 H new ATOM 953 N ASP A 65 -5.954 -0.975 -6.550 1.00 0.00 N ATOM 954 CA ASP A 65 -6.554 -0.579 -5.281 1.00 0.00 C ATOM 955 C ASP A 65 -5.478 -0.244 -4.253 1.00 0.00 C ATOM 956 O ASP A 65 -5.601 0.726 -3.505 1.00 0.00 O ATOM 957 CB ASP A 65 -7.456 -1.693 -4.749 1.00 0.00 C ATOM 958 CG ASP A 65 -6.786 -3.052 -4.794 1.00 0.00 C ATOM 959 OD1 ASP A 65 -6.094 -3.405 -3.816 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.952 -3.763 -5.808 1.00 0.00 O ATOM 0 H ASP A 65 -6.361 -1.813 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.156 0.313 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.742 -1.466 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.374 -1.724 -5.336 1.00 0.00 H new ATOM 965 N ILE A 66 -4.424 -1.053 -4.222 1.00 0.00 N ATOM 966 CA ILE A 66 -3.327 -0.842 -3.286 1.00 0.00 C ATOM 967 C ILE A 66 -2.474 0.353 -3.698 1.00 0.00 C ATOM 968 O ILE A 66 -2.271 0.603 -4.887 1.00 0.00 O ATOM 969 CB ILE A 66 -2.428 -2.089 -3.181 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.840 -2.436 -4.550 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.216 -3.264 -2.623 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.823 -3.555 -4.505 1.00 0.00 C ATOM 0 H ILE A 66 -4.307 -1.860 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.777 -0.646 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.607 -1.871 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.650 -2.719 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.371 -1.547 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.568 -4.137 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.591 -3.012 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.055 -3.486 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.449 -3.747 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.006 -3.268 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.292 -4.458 -4.114 1.00 0.00 H new ATOM 984 N HIS A 67 -1.975 1.086 -2.709 1.00 0.00 N ATOM 985 CA HIS A 67 -1.141 2.254 -2.969 1.00 0.00 C ATOM 986 C HIS A 67 -0.053 2.392 -1.908 1.00 0.00 C ATOM 987 O HIS A 67 -0.170 1.881 -0.794 1.00 0.00 O ATOM 988 CB HIS A 67 -1.997 3.521 -3.006 1.00 0.00 C ATOM 989 CG HIS A 67 -2.719 3.717 -4.303 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.076 4.019 -5.485 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.038 3.652 -4.600 1.00 0.00 C ATOM 992 CE1 HIS A 67 -2.968 4.133 -6.453 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.166 3.914 -5.942 1.00 0.00 N ATOM 0 H HIS A 67 -2.133 0.892 -1.720 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.663 2.119 -3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.726 3.481 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.360 4.386 -2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.840 3.435 -3.910 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.754 4.366 -7.486 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.044 3.936 -6.460 1.00 0.00 H new ATOM 1002 N PRO A 68 1.032 3.099 -2.260 1.00 0.00 N ATOM 1003 CA PRO A 68 2.161 3.320 -1.352 1.00 0.00 C ATOM 1004 C PRO A 68 1.805 4.254 -0.200 1.00 0.00 C ATOM 1005 O PRO A 68 0.869 5.048 -0.298 1.00 0.00 O ATOM 1006 CB PRO A 68 3.220 3.961 -2.252 1.00 0.00 C ATOM 1007 CG PRO A 68 2.445 4.607 -3.348 1.00 0.00 C ATOM 1008 CD PRO A 68 1.238 3.737 -3.571 1.00 0.00 C ATOM 0 HA PRO A 68 2.489 2.395 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.815 4.692 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.912 3.215 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.150 5.620 -3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.043 4.684 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.370 4.323 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.413 2.999 -4.354 1.00 0.00 H new ATOM 1016 N VAL A 69 2.558 4.155 0.891 1.00 0.00 N ATOM 1017 CA VAL A 69 2.323 4.993 2.061 1.00 0.00 C ATOM 1018 C VAL A 69 2.200 6.461 1.669 1.00 0.00 C ATOM 1019 O VAL A 69 2.827 6.914 0.713 1.00 0.00 O ATOM 1020 CB VAL A 69 3.453 4.842 3.096 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.192 5.727 4.305 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.602 3.386 3.513 1.00 0.00 C ATOM 0 H VAL A 69 3.336 3.503 0.989 1.00 0.00 H new ATOM 0 HA VAL A 69 1.386 4.659 2.507 1.00 0.00 H new ATOM 0 HB VAL A 69 4.388 5.162 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.001 5.607 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.140 6.769 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.248 5.441 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.405 3.297 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.669 3.037 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.839 2.780 2.639 1.00 0.00 H new ATOM 1032 N GLY A 70 1.386 7.201 2.417 1.00 0.00 N ATOM 1033 CA GLY A 70 1.196 8.612 2.133 1.00 0.00 C ATOM 1034 C GLY A 70 0.625 8.852 0.749 1.00 0.00 C ATOM 1035 O GLY A 70 0.993 9.817 0.078 1.00 0.00 O ATOM 0 H GLY A 70 0.855 6.849 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.528 9.043 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.151 9.130 2.224 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.274 7.974 0.321 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.895 8.095 -0.993 1.00 0.00 C ATOM 1041 C TRP A 71 -2.244 8.799 -0.895 1.00 0.00 C ATOM 1042 O TRP A 71 -2.525 9.730 -1.650 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.072 6.714 -1.626 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.849 6.743 -2.907 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.343 6.848 -4.171 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.272 6.666 -3.048 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.365 6.842 -5.089 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.558 6.730 -4.426 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.332 6.547 -2.145 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -4.859 6.681 -4.919 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.623 6.498 -2.636 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.878 6.564 -4.012 1.00 0.00 C ATOM 0 H TRP A 71 -0.589 7.170 0.864 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.238 8.694 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.090 6.280 -1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.579 6.059 -0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.293 6.925 -4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.253 6.910 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.146 6.494 -1.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.057 6.733 -5.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.450 6.407 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.898 6.522 -4.364 1.00 0.00 H new ATOM 1063 N CYS A 72 -3.075 8.349 0.039 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.396 8.936 0.235 1.00 0.00 C ATOM 1065 C CYS A 72 -4.348 10.451 0.062 1.00 0.00 C ATOM 1066 O CYS A 72 -5.059 11.012 -0.771 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.931 8.586 1.625 1.00 0.00 C ATOM 1068 SG CYS A 72 -5.374 6.845 1.828 1.00 0.00 S ATOM 0 H CYS A 72 -2.857 7.580 0.672 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.066 8.523 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.178 8.847 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -5.808 9.199 1.830 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.339 6.741 2.693 1.00 0.00 H new ATOM 1074 N GLU A 73 -3.507 11.106 0.856 1.00 0.00 N ATOM 1075 CA GLU A 73 -3.370 12.557 0.791 1.00 0.00 C ATOM 1076 C GLU A 73 -2.697 12.982 -0.511 1.00 0.00 C ATOM 1077 O GLU A 73 -3.102 13.957 -1.143 1.00 0.00 O ATOM 1078 CB GLU A 73 -2.563 13.069 1.986 1.00 0.00 C ATOM 1079 CG GLU A 73 -3.404 13.313 3.228 1.00 0.00 C ATOM 1080 CD GLU A 73 -2.820 14.386 4.126 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -1.745 14.146 4.714 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -3.438 15.465 4.241 1.00 0.00 O ATOM 0 H GLU A 73 -2.911 10.656 1.551 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.369 12.993 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.782 12.347 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.065 13.997 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.411 13.603 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.494 12.383 3.790 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.665 12.243 -0.905 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.934 12.541 -2.131 1.00 0.00 C ATOM 1091 C LYS A 74 -1.895 12.846 -3.276 1.00 0.00 C ATOM 1092 O LYS A 74 -1.697 13.801 -4.029 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.031 11.365 -2.509 1.00 0.00 C ATOM 1094 CG LYS A 74 0.582 11.489 -3.893 1.00 0.00 C ATOM 1095 CD LYS A 74 1.647 12.572 -3.936 1.00 0.00 C ATOM 1096 CE LYS A 74 2.464 12.499 -5.217 1.00 0.00 C ATOM 1097 NZ LYS A 74 3.698 13.330 -5.136 1.00 0.00 N ATOM 0 H LYS A 74 -1.316 11.433 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.317 13.422 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.769 11.281 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.610 10.443 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.020 10.535 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.199 11.716 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.175 13.551 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.308 12.469 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.737 11.462 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.855 12.835 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.227 13.254 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.437 14.323 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.292 12.994 -4.351 1.00 0.00 H new ATOM 1111 N THR A 75 -2.937 12.030 -3.403 1.00 0.00 N ATOM 1112 CA THR A 75 -3.927 12.214 -4.456 1.00 0.00 C ATOM 1113 C THR A 75 -5.090 13.073 -3.973 1.00 0.00 C ATOM 1114 O THR A 75 -5.431 14.079 -4.593 1.00 0.00 O ATOM 1115 CB THR A 75 -4.474 10.863 -4.954 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.127 10.173 -3.882 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.354 9.998 -5.513 1.00 0.00 C ATOM 0 H THR A 75 -3.117 11.235 -2.789 1.00 0.00 H new ATOM 0 HA THR A 75 -3.423 12.720 -5.279 1.00 0.00 H new ATOM 0 HB THR A 75 -5.192 11.059 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.115 9.209 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.765 9.049 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.879 10.513 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.615 9.811 -4.734 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.697 12.669 -2.860 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.815 13.415 -2.313 1.00 0.00 C ATOM 1127 C GLY A 76 -7.873 12.512 -1.709 1.00 0.00 C ATOM 1128 O GLY A 76 -9.008 12.469 -2.185 1.00 0.00 O ATOM 0 H GLY A 76 -5.434 11.839 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.451 14.103 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.264 14.020 -3.100 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.501 11.789 -0.657 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.426 10.882 0.012 1.00 0.00 C ATOM 1134 C HIS A 77 -8.113 10.789 1.502 1.00 0.00 C ATOM 1135 O HIS A 77 -7.066 11.249 1.958 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.361 9.492 -0.623 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.287 9.321 -1.787 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.641 9.572 -1.715 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.046 8.924 -3.059 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.193 9.334 -2.891 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -10.247 8.940 -3.724 1.00 0.00 N ATOM 0 H HIS A 77 -6.566 11.814 -0.250 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.434 11.279 -0.106 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.340 9.299 -0.951 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.600 8.745 0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.088 8.647 -3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.240 9.443 -3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.386 8.688 -4.703 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.028 10.191 2.258 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.851 10.036 3.697 1.00 0.00 C ATOM 1152 C LYS A 78 -8.410 8.617 4.042 1.00 0.00 C ATOM 1153 O LYS A 78 -8.875 7.649 3.440 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.152 10.370 4.431 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.288 11.840 4.789 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.114 12.032 6.050 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.242 12.013 7.296 1.00 0.00 C ATOM 1158 NZ LYS A 78 -9.355 13.206 7.370 1.00 0.00 N ATOM 0 H LYS A 78 -9.901 9.805 1.897 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.072 10.728 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.997 10.077 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.208 9.776 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.298 12.274 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.755 12.375 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.650 12.979 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.865 11.245 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.876 11.976 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.635 11.108 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.378 12.927 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.676 13.920 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.390 13.605 8.330 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.512 8.502 5.014 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.010 7.200 5.440 1.00 0.00 C ATOM 1174 C LEU A 79 -7.621 6.791 6.776 1.00 0.00 C ATOM 1175 O LEU A 79 -7.707 7.596 7.704 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.485 7.232 5.553 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.841 6.061 6.296 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.153 4.748 5.595 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.337 6.263 6.410 1.00 0.00 C ATOM 0 H LEU A 79 -7.117 9.293 5.522 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.298 6.464 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.067 7.272 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.197 8.156 6.054 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.259 6.020 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.687 3.926 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.232 4.598 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.764 4.778 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.896 5.420 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.902 6.331 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.134 7.183 6.957 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.042 5.534 6.869 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.643 5.017 8.093 1.00 0.00 C ATOM 1193 C HIS A 80 -7.596 4.326 8.962 1.00 0.00 C ATOM 1194 O HIS A 80 -6.944 3.368 8.548 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.771 4.039 7.759 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.942 4.684 7.085 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.248 4.459 7.466 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.999 5.553 6.049 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -13.057 5.160 6.693 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.324 5.834 5.825 1.00 0.00 N ATOM 0 H HIS A 80 -7.978 4.854 6.111 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.055 5.859 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.379 3.252 7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.109 3.560 8.678 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.158 5.951 5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.135 5.179 6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.684 6.461 5.106 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.430 4.824 10.197 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.464 4.270 11.150 1.00 0.00 C ATOM 1211 C PRO A 81 -6.873 2.891 11.655 1.00 0.00 C ATOM 1212 O PRO A 81 -7.993 2.430 11.436 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.475 5.285 12.296 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.816 5.930 12.217 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.173 5.965 10.757 1.00 0.00 C ATOM 0 HA PRO A 81 -5.482 4.127 10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.327 4.797 13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.676 6.018 12.184 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.555 5.365 12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.791 6.936 12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.247 5.860 10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.875 6.905 10.293 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.945 2.215 12.348 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.187 0.878 12.900 1.00 0.00 C ATOM 1225 C PRO A 82 -7.177 0.900 14.059 1.00 0.00 C ATOM 1226 O PRO A 82 -7.814 1.919 14.326 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.803 0.440 13.387 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.075 1.712 13.655 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.588 2.703 12.647 1.00 0.00 C ATOM 0 HA PRO A 82 -6.627 0.206 12.163 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.875 -0.172 14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.290 -0.159 12.635 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.258 2.059 14.672 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.998 1.574 13.554 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.605 3.715 13.051 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.964 2.727 11.754 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.303 -0.231 14.744 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.215 -0.342 15.877 1.00 0.00 C ATOM 1239 C LYS A 83 -7.754 0.537 17.035 1.00 0.00 C ATOM 1240 O LYS A 83 -6.633 0.402 17.522 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.315 -1.799 16.337 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.112 -2.267 17.138 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.291 -1.996 18.622 1.00 0.00 C ATOM 1244 CE LYS A 83 -8.041 -3.127 19.309 1.00 0.00 C ATOM 1245 NZ LYS A 83 -7.207 -4.355 19.424 1.00 0.00 N ATOM 0 H LYS A 83 -6.785 -1.084 14.535 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.199 -0.001 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.213 -1.919 16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.431 -2.440 15.463 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.960 -3.334 16.978 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.216 -1.760 16.780 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.315 -1.868 19.090 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.835 -1.061 18.759 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.353 -2.805 20.303 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.948 -3.355 18.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.605 -4.977 20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.198 -4.855 18.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.235 -4.092 19.684 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.629 1.438 17.472 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.293 2.325 18.571 1.00 0.00 C ATOM 1261 C GLY A 84 -7.234 3.341 18.193 1.00 0.00 C ATOM 1262 O GLY A 84 -6.335 3.634 18.982 1.00 0.00 O ATOM 0 H GLY A 84 -9.564 1.569 17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.192 2.847 18.900 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.940 1.734 19.416 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.337 3.879 16.982 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.377 4.865 16.500 1.00 0.00 C ATOM 1268 C TYR A 85 -7.077 5.961 15.701 1.00 0.00 C ATOM 1269 O TYR A 85 -8.020 5.697 14.956 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.312 4.189 15.635 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.110 3.711 16.417 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -4.099 2.457 17.015 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -2.984 4.514 16.558 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -3.003 2.017 17.732 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -1.883 4.081 17.272 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.898 2.832 17.857 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.803 2.397 18.569 1.00 0.00 O ATOM 0 H TYR A 85 -8.075 3.649 16.317 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.897 5.322 17.366 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.760 3.340 15.119 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.981 4.889 14.868 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.962 1.815 16.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.969 5.493 16.102 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.012 1.040 18.192 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.016 4.717 17.371 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.110 3.090 18.560 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.606 7.193 15.863 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.183 8.331 15.157 1.00 0.00 C ATOM 1289 C LYS A 86 -6.253 8.811 14.048 1.00 0.00 C ATOM 1290 O LYS A 86 -5.069 8.475 14.029 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.462 9.475 16.135 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.201 10.644 15.507 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.567 10.226 14.988 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.364 11.423 14.492 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.020 12.154 15.610 1.00 0.00 N ATOM 0 H LYS A 86 -5.826 7.429 16.477 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.122 8.010 14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.047 9.093 16.971 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.517 9.831 16.544 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.318 11.439 16.243 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.609 11.052 14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.445 9.507 14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.120 9.722 15.781 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.703 12.101 13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.121 11.087 13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.553 12.962 15.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.670 11.514 16.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.296 12.497 16.273 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.796 9.600 13.126 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.014 10.127 12.014 1.00 0.00 C ATOM 1311 C GLU A 87 -4.935 11.085 12.514 1.00 0.00 C ATOM 1312 O GLU A 87 -3.747 10.880 12.268 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.924 10.843 11.015 1.00 0.00 C ATOM 1314 CG GLU A 87 -6.170 11.530 9.889 1.00 0.00 C ATOM 1315 CD GLU A 87 -7.006 11.680 8.633 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -7.710 10.713 8.270 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -6.957 12.762 8.012 1.00 0.00 O ATOM 0 H GLU A 87 -7.774 9.888 13.127 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.529 9.288 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.619 10.121 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.521 11.584 11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.844 12.515 10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.272 10.958 9.657 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.360 12.131 13.215 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.431 13.121 13.748 1.00 0.00 C ATOM 1326 C GLU A 88 -3.383 12.460 14.638 1.00 0.00 C ATOM 1327 O GLU A 88 -2.199 12.787 14.567 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.188 14.189 14.539 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.052 13.623 15.653 1.00 0.00 C ATOM 1330 CD GLU A 88 -6.641 14.703 16.541 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -5.975 15.093 17.523 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.768 15.158 16.253 1.00 0.00 O ATOM 0 H GLU A 88 -6.341 12.315 13.427 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.922 13.594 12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.470 14.889 14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.818 14.757 13.855 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.860 13.035 15.218 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.455 12.943 16.261 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.829 11.529 15.476 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.930 10.823 16.381 1.00 0.00 C ATOM 1341 C GLU A 89 -1.993 9.900 15.607 1.00 0.00 C ATOM 1342 O GLU A 89 -0.798 9.825 15.896 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.731 10.014 17.403 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.308 10.856 18.528 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.257 11.288 19.532 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.255 11.904 19.113 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.436 11.010 20.736 1.00 0.00 O ATOM 0 H GLU A 89 -4.807 11.247 15.547 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.329 11.565 16.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.545 9.501 16.890 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.088 9.245 17.830 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.787 11.740 18.106 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.083 10.287 19.041 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.544 9.197 14.623 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.759 8.277 13.808 1.00 0.00 C ATOM 1356 C PHE A 90 -0.851 9.040 12.848 1.00 0.00 C ATOM 1357 O PHE A 90 -1.300 9.933 12.130 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.683 7.345 13.021 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.946 6.341 12.180 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.256 6.741 11.047 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.944 4.999 12.523 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.578 5.820 10.271 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.268 4.073 11.751 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.583 4.484 10.624 1.00 0.00 C ATOM 0 H PHE A 90 -3.531 9.247 14.371 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.135 7.682 14.475 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.332 6.816 13.719 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.327 7.944 12.377 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.248 7.784 10.767 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.477 4.672 13.404 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.045 6.144 9.390 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.275 3.029 12.029 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.053 3.763 10.020 1.00 0.00 H new ATOM 1374 N ASN A 91 0.428 8.681 12.842 1.00 0.00 N ATOM 1375 CA ASN A 91 1.401 9.333 11.971 1.00 0.00 C ATOM 1376 C ASN A 91 2.338 8.307 11.340 1.00 0.00 C ATOM 1377 O ASN A 91 3.135 7.672 12.031 1.00 0.00 O ATOM 1378 CB ASN A 91 2.211 10.364 12.759 1.00 0.00 C ATOM 1379 CG ASN A 91 1.473 11.679 12.920 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.742 11.878 13.891 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.661 12.584 11.967 1.00 0.00 N ATOM 0 H ASN A 91 0.816 7.943 13.430 1.00 0.00 H new ATOM 0 HA ASN A 91 0.857 9.841 11.174 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.448 9.961 13.744 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.159 10.542 12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.191 13.487 12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.276 12.376 11.180 1.00 0.00 H new ATOM 1388 N TRP A 92 2.237 8.153 10.025 1.00 0.00 N ATOM 1389 CA TRP A 92 3.076 7.205 9.300 1.00 0.00 C ATOM 1390 C TRP A 92 4.533 7.326 9.733 1.00 0.00 C ATOM 1391 O TRP A 92 5.064 6.444 10.406 1.00 0.00 O ATOM 1392 CB TRP A 92 2.958 7.437 7.793 1.00 0.00 C ATOM 1393 CG TRP A 92 1.863 6.638 7.153 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.675 7.113 6.674 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.854 5.225 6.925 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.071 6.079 6.161 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.630 4.911 6.302 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.762 4.195 7.184 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.293 3.610 5.938 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.426 2.904 6.821 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.200 2.621 6.203 1.00 0.00 C ATOM 0 H TRP A 92 1.583 8.672 9.439 1.00 0.00 H new ATOM 0 HA TRP A 92 2.729 6.198 9.534 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.780 8.496 7.609 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.907 7.185 7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.368 8.148 6.695 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.997 6.167 5.743 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.709 4.404 7.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.652 3.389 5.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.120 2.100 7.017 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.967 1.602 5.931 1.00 0.00 H new ATOM 1412 N GLN A 93 5.172 8.424 9.342 1.00 0.00 N ATOM 1413 CA GLN A 93 6.569 8.658 9.691 1.00 0.00 C ATOM 1414 C GLN A 93 6.856 8.208 11.119 1.00 0.00 C ATOM 1415 O GLN A 93 7.796 7.450 11.366 1.00 0.00 O ATOM 1416 CB GLN A 93 6.914 10.140 9.531 1.00 0.00 C ATOM 1417 CG GLN A 93 5.732 11.068 9.759 1.00 0.00 C ATOM 1418 CD GLN A 93 4.969 11.365 8.484 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.535 11.856 7.507 1.00 0.00 O ATOM 1420 NE2 GLN A 93 3.674 11.068 8.486 1.00 0.00 N ATOM 0 H GLN A 93 4.746 9.164 8.785 1.00 0.00 H new ATOM 0 HA GLN A 93 7.190 8.072 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.708 10.397 10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.308 10.307 8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.056 10.617 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.087 12.003 10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.245 10.662 9.318 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.109 11.246 7.656 1.00 0.00 H new ATOM 1429 N THR A 94 6.042 8.679 12.058 1.00 0.00 N ATOM 1430 CA THR A 94 6.210 8.327 13.463 1.00 0.00 C ATOM 1431 C THR A 94 6.231 6.814 13.651 1.00 0.00 C ATOM 1432 O THR A 94 7.056 6.283 14.395 1.00 0.00 O ATOM 1433 CB THR A 94 5.087 8.925 14.330 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.776 10.250 13.885 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.494 8.960 15.795 1.00 0.00 C ATOM 0 H THR A 94 5.259 9.306 11.871 1.00 0.00 H new ATOM 0 HA THR A 94 7.165 8.744 13.782 1.00 0.00 H new ATOM 0 HB THR A 94 4.205 8.292 14.229 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.314 10.735 14.600 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.685 9.386 16.387 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.701 7.947 16.139 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.389 9.572 15.910 1.00 0.00 H new ATOM 1443 N TYR A 95 5.321 6.126 12.972 1.00 0.00 N ATOM 1444 CA TYR A 95 5.234 4.673 13.066 1.00 0.00 C ATOM 1445 C TYR A 95 6.312 4.007 12.216 1.00 0.00 C ATOM 1446 O TYR A 95 6.648 2.840 12.422 1.00 0.00 O ATOM 1447 CB TYR A 95 3.851 4.194 12.623 1.00 0.00 C ATOM 1448 CG TYR A 95 3.741 2.691 12.502 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.293 1.854 13.464 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.083 2.107 11.426 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.196 0.481 13.357 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.979 0.735 11.312 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.537 -0.075 12.279 1.00 0.00 C ATOM 1454 OH TYR A 95 3.437 -1.443 12.170 1.00 0.00 O ATOM 0 H TYR A 95 4.633 6.550 12.350 1.00 0.00 H new ATOM 0 HA TYR A 95 5.392 4.391 14.107 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.107 4.548 13.337 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.610 4.646 11.661 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.807 2.285 14.310 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.646 2.737 10.666 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.633 -0.155 14.113 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.463 0.298 10.470 1.00 0.00 H new ATOM 0 HH TYR A 95 2.943 -1.671 11.355 1.00 0.00 H new ATOM 1464 N LEU A 96 6.850 4.757 11.261 1.00 0.00 N ATOM 1465 CA LEU A 96 7.891 4.241 10.379 1.00 0.00 C ATOM 1466 C LEU A 96 9.275 4.471 10.977 1.00 0.00 C ATOM 1467 O LEU A 96 10.265 3.905 10.514 1.00 0.00 O ATOM 1468 CB LEU A 96 7.799 4.907 9.005 1.00 0.00 C ATOM 1469 CG LEU A 96 6.468 4.747 8.268 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.239 5.913 7.320 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.434 3.427 7.511 1.00 0.00 C ATOM 0 H LEU A 96 6.583 5.724 11.077 1.00 0.00 H new ATOM 0 HA LEU A 96 7.738 3.168 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.999 5.972 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.591 4.504 8.374 1.00 0.00 H new ATOM 0 HG LEU A 96 5.665 4.742 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.287 5.782 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.219 6.844 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.046 5.951 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.480 3.329 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.246 3.403 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.551 2.602 8.213 1.00 0.00 H new ATOM 1483 N LYS A 97 9.336 5.305 12.010 1.00 0.00 N ATOM 1484 CA LYS A 97 10.598 5.608 12.675 1.00 0.00 C ATOM 1485 C LYS A 97 10.792 4.724 13.902 1.00 0.00 C ATOM 1486 O LYS A 97 11.916 4.349 14.239 1.00 0.00 O ATOM 1487 CB LYS A 97 10.641 7.082 13.084 1.00 0.00 C ATOM 1488 CG LYS A 97 10.042 7.351 14.454 1.00 0.00 C ATOM 1489 CD LYS A 97 11.089 7.245 15.550 1.00 0.00 C ATOM 1490 CE LYS A 97 10.499 7.561 16.916 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.529 9.021 17.209 1.00 0.00 N ATOM 0 H LYS A 97 8.526 5.783 12.405 1.00 0.00 H new ATOM 0 HA LYS A 97 11.407 5.408 11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.676 7.422 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.106 7.672 12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.598 8.346 14.469 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.239 6.640 14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.509 6.239 15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.909 7.931 15.339 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.470 7.203 16.959 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.055 7.025 17.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.118 9.195 18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.513 9.358 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.977 9.531 16.490 1.00 0.00 H new ATOM 1505 N THR A 98 9.690 4.391 14.567 1.00 0.00 N ATOM 1506 CA THR A 98 9.740 3.550 15.757 1.00 0.00 C ATOM 1507 C THR A 98 9.982 2.091 15.389 1.00 0.00 C ATOM 1508 O THR A 98 10.575 1.336 16.161 1.00 0.00 O ATOM 1509 CB THR A 98 8.437 3.653 16.572 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.666 3.222 17.918 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.338 2.808 15.944 1.00 0.00 C ATOM 0 H THR A 98 8.752 4.691 14.302 1.00 0.00 H new ATOM 0 HA THR A 98 10.570 3.911 16.365 1.00 0.00 H new ATOM 0 HB THR A 98 8.117 4.695 16.574 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.833 3.292 18.430 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.428 2.896 16.537 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.146 3.157 14.929 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.653 1.765 15.916 1.00 0.00 H new ATOM 1519 N CYS A 99 9.521 1.700 14.206 1.00 0.00 N ATOM 1520 CA CYS A 99 9.688 0.329 13.735 1.00 0.00 C ATOM 1521 C CYS A 99 10.750 0.254 12.644 1.00 0.00 C ATOM 1522 O CYS A 99 10.828 -0.726 11.904 1.00 0.00 O ATOM 1523 CB CYS A 99 8.359 -0.217 13.209 1.00 0.00 C ATOM 1524 SG CYS A 99 7.288 -0.913 14.488 1.00 0.00 S ATOM 0 H CYS A 99 9.029 2.312 13.555 1.00 0.00 H new ATOM 0 HA CYS A 99 10.015 -0.281 14.577 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.825 0.585 12.700 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.564 -0.986 12.464 1.00 0.00 H new ATOM 0 HG CYS A 99 6.291 -1.533 13.929 1.00 0.00 H new ATOM 1530 N LYS A 100 11.567 1.298 12.548 1.00 0.00 N ATOM 1531 CA LYS A 100 12.626 1.353 11.547 1.00 0.00 C ATOM 1532 C LYS A 100 12.156 0.755 10.225 1.00 0.00 C ATOM 1533 O LYS A 100 12.860 -0.045 9.610 1.00 0.00 O ATOM 1534 CB LYS A 100 13.865 0.606 12.045 1.00 0.00 C ATOM 1535 CG LYS A 100 14.290 1.000 13.449 1.00 0.00 C ATOM 1536 CD LYS A 100 13.528 0.214 14.503 1.00 0.00 C ATOM 1537 CE LYS A 100 14.265 -1.060 14.889 1.00 0.00 C ATOM 1538 NZ LYS A 100 13.953 -1.480 16.283 1.00 0.00 N ATOM 0 H LYS A 100 11.516 2.118 13.152 1.00 0.00 H new ATOM 0 HA LYS A 100 12.882 2.400 11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.666 -0.466 12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.691 0.792 11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.360 0.828 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.120 2.067 13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.384 0.834 15.388 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.537 -0.038 14.125 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.994 -1.860 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.339 -0.903 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.474 -2.351 16.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.235 -0.728 16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.932 -1.655 16.373 1.00 0.00 H new ATOM 1552 N ALA A 101 10.962 1.150 9.793 1.00 0.00 N ATOM 1553 CA ALA A 101 10.401 0.655 8.542 1.00 0.00 C ATOM 1554 C ALA A 101 10.385 1.747 7.478 1.00 0.00 C ATOM 1555 O ALA A 101 10.218 2.926 7.789 1.00 0.00 O ATOM 1556 CB ALA A 101 8.996 0.118 8.771 1.00 0.00 C ATOM 0 H ALA A 101 10.365 1.811 10.291 1.00 0.00 H new ATOM 0 HA ALA A 101 11.035 -0.156 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.589 -0.249 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.032 -0.698 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.360 0.915 9.156 1.00 0.00 H new ATOM 1562 N GLN A 102 10.562 1.347 6.223 1.00 0.00 N ATOM 1563 CA GLN A 102 10.570 2.293 5.114 1.00 0.00 C ATOM 1564 C GLN A 102 9.453 1.979 4.124 1.00 0.00 C ATOM 1565 O GLN A 102 9.444 0.920 3.497 1.00 0.00 O ATOM 1566 CB GLN A 102 11.923 2.263 4.400 1.00 0.00 C ATOM 1567 CG GLN A 102 13.082 2.712 5.276 1.00 0.00 C ATOM 1568 CD GLN A 102 14.431 2.437 4.643 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.703 2.866 3.521 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.287 1.719 5.361 1.00 0.00 N ATOM 0 H GLN A 102 10.702 0.374 5.949 1.00 0.00 H new ATOM 0 HA GLN A 102 10.403 3.291 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.116 1.250 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.874 2.903 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.989 3.780 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.025 2.202 6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.020 1.383 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.211 1.503 4.987 1.00 0.00 H new ATOM 1579 N ALA A 103 8.511 2.908 3.988 1.00 0.00 N ATOM 1580 CA ALA A 103 7.390 2.731 3.074 1.00 0.00 C ATOM 1581 C ALA A 103 7.859 2.181 1.731 1.00 0.00 C ATOM 1582 O ALA A 103 8.832 2.668 1.155 1.00 0.00 O ATOM 1583 CB ALA A 103 6.656 4.049 2.878 1.00 0.00 C ATOM 0 H ALA A 103 8.503 3.790 4.500 1.00 0.00 H new ATOM 0 HA ALA A 103 6.704 2.007 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.821 3.902 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.280 4.402 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.341 4.788 2.462 1.00 0.00 H new ATOM 1589 N ALA A 104 7.162 1.162 1.238 1.00 0.00 N ATOM 1590 CA ALA A 104 7.506 0.547 -0.038 1.00 0.00 C ATOM 1591 C ALA A 104 7.717 1.603 -1.117 1.00 0.00 C ATOM 1592 O ALA A 104 7.132 2.685 -1.084 1.00 0.00 O ATOM 1593 CB ALA A 104 6.422 -0.433 -0.460 1.00 0.00 C ATOM 0 H ALA A 104 6.356 0.745 1.703 1.00 0.00 H new ATOM 0 HA ALA A 104 8.442 0.004 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.692 -0.885 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.322 -1.213 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.474 0.095 -0.564 1.00 0.00 H new ATOM 1599 N PRO A 105 8.575 1.284 -2.098 1.00 0.00 N ATOM 1600 CA PRO A 105 8.883 2.192 -3.207 1.00 0.00 C ATOM 1601 C PRO A 105 7.705 2.365 -4.159 1.00 0.00 C ATOM 1602 O PRO A 105 6.961 1.420 -4.422 1.00 0.00 O ATOM 1603 CB PRO A 105 10.049 1.501 -3.918 1.00 0.00 C ATOM 1604 CG PRO A 105 9.893 0.057 -3.586 1.00 0.00 C ATOM 1605 CD PRO A 105 9.309 0.011 -2.201 1.00 0.00 C ATOM 0 HA PRO A 105 9.115 3.198 -2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.010 1.666 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.008 1.886 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.238 -0.440 -4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.853 -0.458 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.648 -0.846 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.085 -0.068 -1.440 1.00 0.00 H new ATOM 1613 N LYS A 106 7.541 3.579 -4.675 1.00 0.00 N ATOM 1614 CA LYS A 106 6.455 3.876 -5.601 1.00 0.00 C ATOM 1615 C LYS A 106 6.551 3.008 -6.851 1.00 0.00 C ATOM 1616 O LYS A 106 5.541 2.694 -7.480 1.00 0.00 O ATOM 1617 CB LYS A 106 6.481 5.356 -5.991 1.00 0.00 C ATOM 1618 CG LYS A 106 7.688 5.743 -6.828 1.00 0.00 C ATOM 1619 CD LYS A 106 8.944 5.847 -5.980 1.00 0.00 C ATOM 1620 CE LYS A 106 9.988 6.737 -6.637 1.00 0.00 C ATOM 1621 NZ LYS A 106 11.101 7.067 -5.705 1.00 0.00 N ATOM 0 H LYS A 106 8.147 4.373 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 106 5.513 3.655 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.573 5.593 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.468 5.962 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.839 5.003 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.500 6.697 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.689 6.247 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.360 4.852 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.389 6.237 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.516 7.658 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.791 7.675 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.722 7.567 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.568 6.190 -5.397 1.00 0.00 H new ATOM 1635 N SER A 107 7.773 2.622 -7.204 1.00 0.00 N ATOM 1636 CA SER A 107 8.002 1.791 -8.381 1.00 0.00 C ATOM 1637 C SER A 107 7.057 0.593 -8.392 1.00 0.00 C ATOM 1638 O SER A 107 6.519 0.221 -9.436 1.00 0.00 O ATOM 1639 CB SER A 107 9.454 1.310 -8.418 1.00 0.00 C ATOM 1640 OG SER A 107 9.696 0.508 -9.561 1.00 0.00 O ATOM 0 H SER A 107 8.619 2.871 -6.692 1.00 0.00 H new ATOM 0 HA SER A 107 7.805 2.396 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.125 2.169 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.675 0.739 -7.516 1.00 0.00 H new ATOM 0 HG SER A 107 10.631 0.214 -9.563 1.00 0.00 H new ATOM 1646 N LEU A 108 6.859 -0.007 -7.224 1.00 0.00 N ATOM 1647 CA LEU A 108 5.980 -1.164 -7.097 1.00 0.00 C ATOM 1648 C LEU A 108 4.582 -0.845 -7.617 1.00 0.00 C ATOM 1649 O LEU A 108 3.893 -1.714 -8.151 1.00 0.00 O ATOM 1650 CB LEU A 108 5.902 -1.613 -5.636 1.00 0.00 C ATOM 1651 CG LEU A 108 7.111 -2.384 -5.106 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.061 -2.478 -3.589 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.173 -3.772 -5.727 1.00 0.00 C ATOM 0 H LEU A 108 7.295 0.289 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 108 6.396 -1.973 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.757 -0.731 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.017 -2.237 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 108 8.014 -1.842 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.929 -3.030 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.066 -1.475 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.151 -2.996 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.040 -4.306 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.266 -4.323 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.258 -3.683 -6.810 1.00 0.00 H new ATOM 1665 N PHE A 109 4.170 0.409 -7.460 1.00 0.00 N ATOM 1666 CA PHE A 109 2.854 0.844 -7.916 1.00 0.00 C ATOM 1667 C PHE A 109 2.975 1.765 -9.127 1.00 0.00 C ATOM 1668 O PHE A 109 2.229 2.734 -9.258 1.00 0.00 O ATOM 1669 CB PHE A 109 2.112 1.562 -6.787 1.00 0.00 C ATOM 1670 CG PHE A 109 2.258 0.890 -5.451 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.405 1.065 -4.694 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.247 0.085 -4.953 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.542 0.447 -3.466 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.378 -0.535 -3.724 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.526 -0.353 -2.979 1.00 0.00 C ATOM 0 H PHE A 109 4.728 1.141 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 109 2.288 -0.040 -8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.482 2.585 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.054 1.623 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.201 1.692 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.346 -0.060 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.443 0.589 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.583 -1.161 -3.347 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.630 -0.835 -2.018 1.00 0.00 H new ATOM 1685 N GLU A 110 3.921 1.454 -10.007 1.00 0.00 N ATOM 1686 CA GLU A 110 4.141 2.254 -11.206 1.00 0.00 C ATOM 1687 C GLU A 110 3.431 1.638 -12.409 1.00 0.00 C ATOM 1688 O GLU A 110 3.933 1.686 -13.531 1.00 0.00 O ATOM 1689 CB GLU A 110 5.638 2.382 -11.494 1.00 0.00 C ATOM 1690 CG GLU A 110 5.998 3.613 -12.309 1.00 0.00 C ATOM 1691 CD GLU A 110 5.608 4.904 -11.617 1.00 0.00 C ATOM 1692 OE1 GLU A 110 4.439 5.322 -11.758 1.00 0.00 O ATOM 1693 OE2 GLU A 110 6.471 5.498 -10.937 1.00 0.00 O ATOM 0 H GLU A 110 4.547 0.654 -9.912 1.00 0.00 H new ATOM 0 HA GLU A 110 3.727 3.247 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.180 2.411 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.974 1.493 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.071 3.617 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.502 3.560 -13.278 1.00 0.00 H new ATOM 1700 N ASN A 111 2.260 1.059 -12.164 1.00 0.00 N ATOM 1701 CA ASN A 111 1.482 0.432 -13.226 1.00 0.00 C ATOM 1702 C ASN A 111 0.073 1.016 -13.285 1.00 0.00 C ATOM 1703 O ASN A 111 -0.879 0.415 -12.790 1.00 0.00 O ATOM 1704 CB ASN A 111 1.410 -1.081 -13.010 1.00 0.00 C ATOM 1705 CG ASN A 111 2.754 -1.757 -13.200 1.00 0.00 C ATOM 1706 OD1 ASN A 111 3.058 -2.265 -14.279 1.00 0.00 O ATOM 1707 ND2 ASN A 111 3.566 -1.766 -12.149 1.00 0.00 N ATOM 0 H ASN A 111 1.830 1.011 -11.241 1.00 0.00 H new ATOM 0 HA ASN A 111 1.980 0.633 -14.174 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.043 -1.285 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.689 -1.511 -13.705 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.483 -2.206 -12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.272 -1.332 -11.274 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.049 2.190 -13.895 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.341 2.855 -14.019 1.00 0.00 C ATOM 1716 C GLN A 112 -1.238 4.081 -14.920 1.00 0.00 C ATOM 1717 O GLN A 112 -0.151 4.616 -15.136 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.862 3.264 -12.640 1.00 0.00 C ATOM 1719 CG GLN A 112 -0.982 4.282 -11.934 1.00 0.00 C ATOM 1720 CD GLN A 112 -1.371 4.484 -10.483 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -1.643 5.605 -10.051 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -1.400 3.397 -9.721 1.00 0.00 N ATOM 0 H GLN A 112 0.730 2.700 -14.311 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.041 2.152 -14.471 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.865 3.676 -12.748 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.948 2.375 -12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.057 3.956 -11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -1.043 5.235 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.167 2.488 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.655 3.471 -8.736 1.00 0.00 H new ATOM 1731 N ASN A 113 -2.377 4.522 -15.444 1.00 0.00 N ATOM 1732 CA ASN A 113 -2.415 5.685 -16.323 1.00 0.00 C ATOM 1733 C ASN A 113 -2.056 6.956 -15.560 1.00 0.00 C ATOM 1734 O ASN A 113 -1.868 6.929 -14.343 1.00 0.00 O ATOM 1735 CB ASN A 113 -3.802 5.829 -16.953 1.00 0.00 C ATOM 1736 CG ASN A 113 -4.915 5.464 -15.990 1.00 0.00 C ATOM 1737 OD1 ASN A 113 -4.966 6.154 -14.856 1.00 0.00 O flip ATOM 1738 ND2 ASN A 113 -5.720 4.574 -16.263 1.00 0.00 N flip ATOM 0 H ASN A 113 -3.286 4.091 -15.275 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.678 5.537 -17.113 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.940 6.856 -17.291 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.865 5.192 -17.835 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -5.643 4.070 -17.146 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -6.464 4.341 -15.606 1.00 0.00 H new ATOM 1745 N ILE A 114 -1.964 8.067 -16.282 1.00 0.00 N ATOM 1746 CA ILE A 114 -1.630 9.348 -15.672 1.00 0.00 C ATOM 1747 C ILE A 114 -2.476 9.603 -14.430 1.00 0.00 C ATOM 1748 O ILE A 114 -3.694 9.417 -14.445 1.00 0.00 O ATOM 1749 CB ILE A 114 -1.828 10.511 -16.662 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -1.011 10.272 -17.934 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -1.436 11.831 -16.014 1.00 0.00 C ATOM 1752 CD1 ILE A 114 0.481 10.208 -17.690 1.00 0.00 C ATOM 0 H ILE A 114 -2.116 8.106 -17.290 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.579 9.298 -15.388 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.882 10.561 -16.934 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.336 9.339 -18.395 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.221 11.070 -18.646 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.581 12.643 -16.726 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.057 12.003 -15.135 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.388 11.793 -15.716 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.997 10.037 -18.635 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.820 11.149 -17.257 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.703 9.392 -17.002 1.00 0.00 H new ATOM 1764 N THR A 115 -1.824 10.033 -13.354 1.00 0.00 N ATOM 1765 CA THR A 115 -2.516 10.315 -12.103 1.00 0.00 C ATOM 1766 C THR A 115 -3.315 11.610 -12.196 1.00 0.00 C ATOM 1767 O THR A 115 -2.996 12.492 -12.993 1.00 0.00 O ATOM 1768 CB THR A 115 -1.528 10.417 -10.925 1.00 0.00 C ATOM 1769 OG1 THR A 115 -2.239 10.687 -9.712 1.00 0.00 O ATOM 1770 CG2 THR A 115 -0.503 11.514 -11.173 1.00 0.00 C ATOM 0 H THR A 115 -0.817 10.193 -13.324 1.00 0.00 H new ATOM 0 HA THR A 115 -3.198 9.483 -11.925 1.00 0.00 H new ATOM 0 HB THR A 115 -1.004 9.465 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.604 10.749 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.184 11.568 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.056 11.291 -12.082 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.014 12.470 -11.287 1.00 0.00 H new ATOM 1778 N VAL A 116 -4.354 11.719 -11.374 1.00 0.00 N ATOM 1779 CA VAL A 116 -5.198 12.908 -11.363 1.00 0.00 C ATOM 1780 C VAL A 116 -4.473 14.090 -10.728 1.00 0.00 C ATOM 1781 O VAL A 116 -3.737 13.929 -9.753 1.00 0.00 O ATOM 1782 CB VAL A 116 -6.512 12.657 -10.601 1.00 0.00 C ATOM 1783 CG1 VAL A 116 -7.326 13.938 -10.501 1.00 0.00 C ATOM 1784 CG2 VAL A 116 -7.316 11.556 -11.276 1.00 0.00 C ATOM 0 H VAL A 116 -4.631 10.999 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.429 13.142 -12.402 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.269 12.331 -9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.251 13.740 -9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.749 14.695 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.562 14.298 -11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -8.242 11.391 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.550 11.851 -12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -6.733 10.635 -11.289 1.00 0.00 H new ATOM 1794 N ILE A 117 -4.687 15.277 -11.285 1.00 0.00 N ATOM 1795 CA ILE A 117 -4.055 16.486 -10.771 1.00 0.00 C ATOM 1796 C ILE A 117 -4.631 16.873 -9.414 1.00 0.00 C ATOM 1797 O ILE A 117 -5.799 16.625 -9.114 1.00 0.00 O ATOM 1798 CB ILE A 117 -4.226 17.667 -11.745 1.00 0.00 C ATOM 1799 CG1 ILE A 117 -5.679 18.148 -11.748 1.00 0.00 C ATOM 1800 CG2 ILE A 117 -3.792 17.266 -13.147 1.00 0.00 C ATOM 1801 CD1 ILE A 117 -6.637 17.169 -12.391 1.00 0.00 C ATOM 0 H ILE A 117 -5.293 15.428 -12.092 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.993 16.266 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.592 18.488 -11.411 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.995 18.332 -10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -5.737 19.100 -12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.919 18.112 -13.823 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -2.744 16.968 -13.132 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -4.402 16.431 -13.492 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.648 17.575 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -6.346 17.003 -13.428 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.608 16.223 -11.850 1.00 0.00 H new ATOM 1813 N PRO A 118 -3.794 17.498 -8.572 1.00 0.00 N ATOM 1814 CA PRO A 118 -4.199 17.936 -7.233 1.00 0.00 C ATOM 1815 C PRO A 118 -5.182 19.101 -7.276 1.00 0.00 C ATOM 1816 O PRO A 118 -5.799 19.442 -6.267 1.00 0.00 O ATOM 1817 CB PRO A 118 -2.881 18.372 -6.589 1.00 0.00 C ATOM 1818 CG PRO A 118 -2.003 18.742 -7.735 1.00 0.00 C ATOM 1819 CD PRO A 118 -2.389 17.827 -8.864 1.00 0.00 C ATOM 0 HA PRO A 118 -4.717 17.148 -6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.030 19.216 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.443 17.567 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.144 19.786 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -0.951 18.620 -7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.284 18.317 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.764 16.934 -8.889 1.00 0.00 H new ATOM 1827 N SER A 119 -5.323 19.707 -8.450 1.00 0.00 N ATOM 1828 CA SER A 119 -6.230 20.836 -8.624 1.00 0.00 C ATOM 1829 C SER A 119 -7.627 20.494 -8.116 1.00 0.00 C ATOM 1830 O SER A 119 -8.082 19.357 -8.234 1.00 0.00 O ATOM 1831 CB SER A 119 -6.295 21.243 -10.097 1.00 0.00 C ATOM 1832 OG SER A 119 -6.714 22.589 -10.236 1.00 0.00 O ATOM 0 H SER A 119 -4.821 19.435 -9.295 1.00 0.00 H new ATOM 0 HA SER A 119 -5.845 21.673 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.315 21.115 -10.557 1.00 0.00 H new ATOM 0 HB3 SER A 119 -6.985 20.587 -10.629 1.00 0.00 H new ATOM 0 HG SER A 119 -6.746 22.825 -11.187 1.00 0.00 H new ATOM 1838 N GLY A 120 -8.304 21.488 -7.550 1.00 0.00 N ATOM 1839 CA GLY A 120 -9.643 21.274 -7.033 1.00 0.00 C ATOM 1840 C GLY A 120 -10.527 22.496 -7.187 1.00 0.00 C ATOM 1841 O GLY A 120 -10.062 23.628 -7.055 1.00 0.00 O ATOM 0 H GLY A 120 -7.949 22.438 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.099 20.432 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -9.583 21.003 -5.979 1.00 0.00 H new ATOM 1845 N PHE A 121 -11.806 22.268 -7.468 1.00 0.00 N ATOM 1846 CA PHE A 121 -12.756 23.359 -7.643 1.00 0.00 C ATOM 1847 C PHE A 121 -14.043 23.090 -6.867 1.00 0.00 C ATOM 1848 O PHE A 121 -14.583 21.984 -6.905 1.00 0.00 O ATOM 1849 CB PHE A 121 -13.074 23.554 -9.127 1.00 0.00 C ATOM 1850 CG PHE A 121 -14.230 22.724 -9.607 1.00 0.00 C ATOM 1851 CD1 PHE A 121 -14.102 21.352 -9.749 1.00 0.00 C ATOM 1852 CD2 PHE A 121 -15.444 23.316 -9.915 1.00 0.00 C ATOM 1853 CE1 PHE A 121 -15.164 20.585 -10.191 1.00 0.00 C ATOM 1854 CE2 PHE A 121 -16.510 22.555 -10.357 1.00 0.00 C ATOM 1855 CZ PHE A 121 -16.370 21.187 -10.494 1.00 0.00 C ATOM 0 H PHE A 121 -12.208 21.337 -7.579 1.00 0.00 H new ATOM 0 HA PHE A 121 -12.301 24.269 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -13.293 24.606 -9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -12.190 23.306 -9.715 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -13.162 20.876 -9.512 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -15.559 24.385 -9.809 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -15.051 19.516 -10.299 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -17.451 23.029 -10.595 1.00 0.00 H new ATOM 0 HZ PHE A 121 -17.202 20.590 -10.837 1.00 0.00 H new ATOM 1865 N SER A 122 -14.527 24.108 -6.164 1.00 0.00 N ATOM 1866 CA SER A 122 -15.747 23.981 -5.375 1.00 0.00 C ATOM 1867 C SER A 122 -16.784 25.013 -5.808 1.00 0.00 C ATOM 1868 O SER A 122 -16.497 26.208 -5.874 1.00 0.00 O ATOM 1869 CB SER A 122 -15.437 24.147 -3.886 1.00 0.00 C ATOM 1870 OG SER A 122 -15.234 25.510 -3.556 1.00 0.00 O ATOM 0 H SER A 122 -14.093 25.030 -6.124 1.00 0.00 H new ATOM 0 HA SER A 122 -16.157 22.986 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 122 -16.259 23.745 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 122 -14.547 23.571 -3.630 1.00 0.00 H new ATOM 0 HG SER A 122 -15.596 26.077 -4.269 1.00 0.00 H new ATOM 1876 N GLY A 123 -17.991 24.542 -6.104 1.00 0.00 N ATOM 1877 CA GLY A 123 -19.053 25.436 -6.527 1.00 0.00 C ATOM 1878 C GLY A 123 -19.544 26.327 -5.403 1.00 0.00 C ATOM 1879 O GLY A 123 -18.929 26.418 -4.341 1.00 0.00 O ATOM 0 H GLY A 123 -18.253 23.557 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.695 26.057 -7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -19.887 24.848 -6.911 1.00 0.00 H new ATOM 1883 N PRO A 124 -20.678 27.005 -5.633 1.00 0.00 N ATOM 1884 CA PRO A 124 -21.276 27.906 -4.643 1.00 0.00 C ATOM 1885 C PRO A 124 -21.852 27.154 -3.448 1.00 0.00 C ATOM 1886 O PRO A 124 -22.987 26.681 -3.489 1.00 0.00 O ATOM 1887 CB PRO A 124 -22.392 28.603 -5.425 1.00 0.00 C ATOM 1888 CG PRO A 124 -22.743 27.649 -6.514 1.00 0.00 C ATOM 1889 CD PRO A 124 -21.465 26.944 -6.876 1.00 0.00 C ATOM 0 HA PRO A 124 -20.542 28.591 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -23.252 28.811 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -22.056 29.558 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -23.500 26.938 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -23.156 28.175 -7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -21.648 25.915 -7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -20.953 27.439 -7.701 1.00 0.00 H new ATOM 1897 N SER A 125 -21.062 27.049 -2.384 1.00 0.00 N ATOM 1898 CA SER A 125 -21.493 26.352 -1.178 1.00 0.00 C ATOM 1899 C SER A 125 -21.752 27.338 -0.043 1.00 0.00 C ATOM 1900 O SER A 125 -21.118 28.390 0.036 1.00 0.00 O ATOM 1901 CB SER A 125 -20.438 25.330 -0.750 1.00 0.00 C ATOM 1902 OG SER A 125 -20.955 24.442 0.226 1.00 0.00 O ATOM 0 H SER A 125 -20.120 27.438 -2.333 1.00 0.00 H new ATOM 0 HA SER A 125 -22.424 25.831 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 125 -20.101 24.764 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 125 -19.567 25.848 -0.350 1.00 0.00 H new ATOM 0 HG SER A 125 -20.262 23.798 0.482 1.00 0.00 H new ATOM 1908 N SER A 126 -22.688 26.989 0.834 1.00 0.00 N ATOM 1909 CA SER A 126 -23.035 27.844 1.963 1.00 0.00 C ATOM 1910 C SER A 126 -23.071 27.043 3.260 1.00 0.00 C ATOM 1911 O SER A 126 -22.403 27.386 4.235 1.00 0.00 O ATOM 1912 CB SER A 126 -24.389 28.514 1.725 1.00 0.00 C ATOM 1913 OG SER A 126 -25.389 27.554 1.431 1.00 0.00 O ATOM 0 H SER A 126 -23.220 26.120 0.784 1.00 0.00 H new ATOM 0 HA SER A 126 -22.268 28.614 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 126 -24.676 29.084 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 126 -24.308 29.223 0.901 1.00 0.00 H new ATOM 0 HG SER A 126 -26.245 28.008 1.285 1.00 0.00 H new ATOM 1919 N GLY A 127 -23.859 25.971 3.265 1.00 0.00 N ATOM 1920 CA GLY A 127 -23.969 25.137 4.447 1.00 0.00 C ATOM 1921 C GLY A 127 -25.341 24.506 4.585 1.00 0.00 C ATOM 1922 O GLY A 127 -26.137 24.525 3.647 1.00 0.00 O ATOM 0 H GLY A 127 -24.423 25.666 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -23.214 24.352 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -23.757 25.737 5.332 1.00 0.00 H new TER 1926 GLY A 127