USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 129 HIS : no HD1:sc= 1.09 K(o=2.3,f=-10!) USER MOD Set 1.2: A 130 SER OG : rot 15:sc= 1.21 USER MOD Set 2.1: A 40 THR OG1 : rot 93:sc= 1.04 USER MOD Set 2.2: A 127 SER OG : rot 180:sc= 0.931 USER MOD Set 3.1: A 70 GLN : amide:sc= 0.0426 X(o=0.69,f=0.39) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.646 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -12:sc= 0.308 USER MOD Single : A 9 SER OG : rot 160:sc= -0.299 USER MOD Single : A 10 SER OG : rot 180:sc= -1.62! USER MOD Single : A 13 SER OG : rot -172:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 161:sc= 0.821 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 43:sc= 0.0477 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0578) USER MOD Single : A 25 HIS : no HE2:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 29 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.79) USER MOD Single : A 34 ASN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 37 THR OG1 : rot 29:sc= -2.29! USER MOD Single : A 41 THR OG1 : rot -76:sc= 1.42 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -4.08! C(o=-4.1!,f=-8.8!) USER MOD Single : A 52 CYS SG : rot -0:sc= 0.602 USER MOD Single : A 54 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.039) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.87 (180deg=0.315) USER MOD Single : A 56 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00398 X(o=-0.004,f=-0.36) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc=-0.00183 USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 1.35 (180deg=1.23) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1) USER MOD Single : A 77 SER OG : rot 111:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot -118:sc= 0.076 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= 1.17 (180deg=-0.144) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 1.13 (180deg=0.961) USER MOD Single : A 95 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 96 THR OG1 : rot 118:sc= 1.19 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 101 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.57) USER MOD Single : A 102 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.4!) USER MOD Single : A 108 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.75) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 161:sc= -0.296 USER MOD Single : A 113 TYR OH : rot 37:sc= 0.834 USER MOD Single : A 120 SER OG : rot 180:sc= -0.233 USER MOD Single : A 124 HIS : no HE2:sc= 0.285 K(o=0.28,f=-7.3!) USER MOD Single : A 132 SER OG : rot -117:sc= 1.16 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0143 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 3.103 -13.292 4.014 1.00 0.00 N ATOM 19 CA ARG A 2 1.758 -12.731 3.949 1.00 0.00 C ATOM 20 C ARG A 2 1.812 -11.222 4.157 1.00 0.00 C ATOM 21 O ARG A 2 2.635 -10.730 4.929 1.00 0.00 O ATOM 22 CB ARG A 2 0.854 -13.384 4.999 1.00 0.00 C ATOM 23 CG ARG A 2 -0.622 -13.045 4.833 1.00 0.00 C ATOM 24 CD ARG A 2 -1.472 -13.704 5.907 1.00 0.00 C ATOM 25 NE ARG A 2 -1.247 -13.113 7.226 1.00 0.00 N ATOM 26 CZ ARG A 2 -0.878 -13.804 8.304 1.00 0.00 C ATOM 27 NH1 ARG A 2 -0.691 -15.116 8.225 1.00 0.00 N ATOM 28 NH2 ARG A 2 -0.703 -13.180 9.462 1.00 0.00 N ATOM 0 HA ARG A 2 1.340 -12.935 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.977 -14.466 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.180 -13.072 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.755 -11.964 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.962 -13.369 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.525 -13.610 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.246 -14.770 5.944 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.381 -12.107 7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.830 -15.598 7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.409 -15.642 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.851 -12.173 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.421 -13.708 10.288 1.00 0.00 H new ATOM 42 N LYS A 3 0.939 -10.501 3.454 1.00 0.00 N ATOM 43 CA LYS A 3 0.921 -9.039 3.477 1.00 0.00 C ATOM 44 C LYS A 3 2.265 -8.492 3.017 1.00 0.00 C ATOM 45 O LYS A 3 2.801 -7.535 3.574 1.00 0.00 O ATOM 46 CB LYS A 3 0.551 -8.499 4.862 1.00 0.00 C ATOM 47 CG LYS A 3 -0.873 -8.839 5.273 1.00 0.00 C ATOM 48 CD LYS A 3 -1.361 -7.956 6.410 1.00 0.00 C ATOM 49 CE LYS A 3 -0.576 -8.182 7.690 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.032 -7.273 8.773 1.00 0.00 N ATOM 0 H LYS A 3 0.225 -10.913 2.853 1.00 0.00 H new ATOM 0 HA LYS A 3 0.150 -8.699 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.243 -8.905 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.676 -7.416 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.535 -8.725 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.923 -9.884 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.279 -6.910 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.417 -8.154 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.690 -9.218 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.485 -8.021 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.476 -7.452 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.900 -6.285 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.039 -7.444 8.969 1.00 0.00 H new ATOM 64 N ILE A 4 2.790 -9.131 1.987 1.00 0.00 N ATOM 65 CA ILE A 4 4.046 -8.741 1.371 1.00 0.00 C ATOM 66 C ILE A 4 3.769 -7.842 0.169 1.00 0.00 C ATOM 67 O ILE A 4 2.792 -8.062 -0.548 1.00 0.00 O ATOM 68 CB ILE A 4 4.830 -10.002 0.933 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.069 -9.638 0.111 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.927 -10.949 0.150 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.814 -10.847 -0.411 1.00 0.00 C ATOM 0 H ILE A 4 2.353 -9.943 1.551 1.00 0.00 H new ATOM 0 HA ILE A 4 4.649 -8.189 2.092 1.00 0.00 H new ATOM 0 HB ILE A 4 5.170 -10.509 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.768 -9.013 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.743 -9.042 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.496 -11.829 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.089 -11.254 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.550 -10.441 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.681 -10.520 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.144 -11.461 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.154 -11.432 -1.052 1.00 0.00 H new ATOM 83 N ASP A 5 4.596 -6.818 -0.027 1.00 0.00 N ATOM 84 CA ASP A 5 4.436 -5.915 -1.167 1.00 0.00 C ATOM 85 C ASP A 5 4.677 -6.670 -2.467 1.00 0.00 C ATOM 86 O ASP A 5 5.809 -7.021 -2.795 1.00 0.00 O ATOM 87 CB ASP A 5 5.391 -4.721 -1.073 1.00 0.00 C ATOM 88 CG ASP A 5 5.084 -3.644 -2.106 1.00 0.00 C ATOM 89 OD1 ASP A 5 4.397 -3.941 -3.110 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.519 -2.487 -1.907 1.00 0.00 O ATOM 0 H ASP A 5 5.380 -6.592 0.585 1.00 0.00 H new ATOM 0 HA ASP A 5 3.415 -5.533 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.330 -4.289 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.415 -5.068 -1.208 1.00 0.00 H new ATOM 95 N LEU A 6 3.605 -6.924 -3.194 1.00 0.00 N ATOM 96 CA LEU A 6 3.673 -7.720 -4.404 1.00 0.00 C ATOM 97 C LEU A 6 3.932 -6.863 -5.642 1.00 0.00 C ATOM 98 O LEU A 6 4.179 -7.390 -6.725 1.00 0.00 O ATOM 99 CB LEU A 6 2.383 -8.525 -4.562 1.00 0.00 C ATOM 100 CG LEU A 6 2.093 -9.490 -3.408 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.646 -9.950 -3.439 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.031 -10.685 -3.467 1.00 0.00 C ATOM 0 H LEU A 6 2.670 -6.587 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 6 4.517 -8.403 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.547 -7.833 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.436 -9.094 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 6 2.262 -8.960 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.464 -10.634 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.012 -9.086 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.447 -10.460 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.812 -11.361 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.892 -11.210 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.063 -10.342 -3.391 1.00 0.00 H new ATOM 114 N CYS A 7 3.874 -5.548 -5.486 1.00 0.00 N ATOM 115 CA CYS A 7 4.130 -4.646 -6.604 1.00 0.00 C ATOM 116 C CYS A 7 5.588 -4.200 -6.623 1.00 0.00 C ATOM 117 O CYS A 7 6.085 -3.701 -7.634 1.00 0.00 O ATOM 118 CB CYS A 7 3.207 -3.433 -6.540 1.00 0.00 C ATOM 119 SG CYS A 7 1.452 -3.838 -6.716 1.00 0.00 S ATOM 0 H CYS A 7 3.654 -5.083 -4.605 1.00 0.00 H new ATOM 0 HA CYS A 7 3.926 -5.190 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.359 -2.923 -5.589 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.489 -2.732 -7.326 1.00 0.00 H new ATOM 0 HG CYS A 7 1.329 -5.068 -7.120 1.00 0.00 H new ATOM 125 N LEU A 8 6.263 -4.398 -5.499 1.00 0.00 N ATOM 126 CA LEU A 8 7.635 -3.953 -5.311 1.00 0.00 C ATOM 127 C LEU A 8 8.578 -4.603 -6.314 1.00 0.00 C ATOM 128 O LEU A 8 8.474 -5.791 -6.620 1.00 0.00 O ATOM 129 CB LEU A 8 8.078 -4.294 -3.887 1.00 0.00 C ATOM 130 CG LEU A 8 8.762 -3.167 -3.116 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.062 -3.613 -1.694 1.00 0.00 C ATOM 132 CD2 LEU A 8 10.036 -2.738 -3.819 1.00 0.00 C ATOM 0 H LEU A 8 5.871 -4.875 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 8 7.674 -2.876 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.203 -4.617 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.759 -5.144 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 8 8.088 -2.311 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.550 -2.802 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.131 -3.876 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.720 -4.481 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.510 -1.934 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.718 -3.586 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.797 -2.385 -4.822 1.00 0.00 H new ATOM 144 N SER A 9 9.518 -3.807 -6.797 1.00 0.00 N ATOM 145 CA SER A 9 10.539 -4.266 -7.720 1.00 0.00 C ATOM 146 C SER A 9 11.430 -5.324 -7.074 1.00 0.00 C ATOM 147 O SER A 9 12.119 -6.074 -7.765 1.00 0.00 O ATOM 148 CB SER A 9 11.367 -3.066 -8.169 1.00 0.00 C ATOM 149 OG SER A 9 11.530 -2.147 -7.099 1.00 0.00 O ATOM 0 H SER A 9 9.593 -2.818 -6.557 1.00 0.00 H new ATOM 0 HA SER A 9 10.062 -4.729 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.343 -3.401 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.878 -2.573 -9.009 1.00 0.00 H new ATOM 0 HG SER A 9 12.298 -1.567 -7.280 1.00 0.00 H new ATOM 155 N SER A 10 11.392 -5.396 -5.746 1.00 0.00 N ATOM 156 CA SER A 10 12.181 -6.376 -5.009 1.00 0.00 C ATOM 157 C SER A 10 11.606 -7.771 -5.220 1.00 0.00 C ATOM 158 O SER A 10 12.264 -8.777 -4.971 1.00 0.00 O ATOM 159 CB SER A 10 12.179 -6.036 -3.520 1.00 0.00 C ATOM 160 OG SER A 10 12.469 -4.663 -3.311 1.00 0.00 O ATOM 0 H SER A 10 10.823 -4.786 -5.159 1.00 0.00 H new ATOM 0 HA SER A 10 13.206 -6.353 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.206 -6.275 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.916 -6.650 -3.002 1.00 0.00 H new ATOM 0 HG SER A 10 12.460 -4.469 -2.350 1.00 0.00 H new ATOM 166 N GLU A 11 10.367 -7.812 -5.685 1.00 0.00 N ATOM 167 CA GLU A 11 9.677 -9.063 -5.937 1.00 0.00 C ATOM 168 C GLU A 11 9.771 -9.453 -7.408 1.00 0.00 C ATOM 169 O GLU A 11 9.271 -10.504 -7.820 1.00 0.00 O ATOM 170 CB GLU A 11 8.221 -8.938 -5.500 1.00 0.00 C ATOM 171 CG GLU A 11 8.045 -8.978 -3.993 1.00 0.00 C ATOM 172 CD GLU A 11 8.682 -10.206 -3.380 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.274 -11.332 -3.736 1.00 0.00 O ATOM 174 OE2 GLU A 11 9.601 -10.055 -2.550 1.00 0.00 O ATOM 0 H GLU A 11 9.815 -6.981 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 11 10.156 -9.853 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.812 -8.003 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.643 -9.746 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.485 -8.083 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.982 -8.962 -3.752 1.00 0.00 H new ATOM 181 N GLY A 12 10.423 -8.604 -8.192 1.00 0.00 N ATOM 182 CA GLY A 12 10.615 -8.882 -9.601 1.00 0.00 C ATOM 183 C GLY A 12 9.440 -8.447 -10.452 1.00 0.00 C ATOM 184 O GLY A 12 9.340 -8.828 -11.618 1.00 0.00 O ATOM 0 H GLY A 12 10.825 -7.722 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.516 -8.375 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.779 -9.951 -9.736 1.00 0.00 H new ATOM 188 N SER A 13 8.549 -7.662 -9.868 1.00 0.00 N ATOM 189 CA SER A 13 7.387 -7.161 -10.583 1.00 0.00 C ATOM 190 C SER A 13 7.801 -6.093 -11.595 1.00 0.00 C ATOM 191 O SER A 13 8.581 -5.188 -11.281 1.00 0.00 O ATOM 192 CB SER A 13 6.376 -6.602 -9.581 1.00 0.00 C ATOM 193 OG SER A 13 6.164 -7.528 -8.526 1.00 0.00 O ATOM 0 H SER A 13 8.609 -7.357 -8.896 1.00 0.00 H new ATOM 0 HA SER A 13 6.922 -7.978 -11.134 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.739 -5.657 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.432 -6.392 -10.085 1.00 0.00 H new ATOM 0 HG SER A 13 5.427 -7.216 -7.960 1.00 0.00 H new ATOM 199 N GLU A 14 7.275 -6.209 -12.805 1.00 0.00 N ATOM 200 CA GLU A 14 7.678 -5.349 -13.908 1.00 0.00 C ATOM 201 C GLU A 14 6.540 -4.417 -14.307 1.00 0.00 C ATOM 202 O GLU A 14 5.364 -4.739 -14.119 1.00 0.00 O ATOM 203 CB GLU A 14 8.077 -6.202 -15.119 1.00 0.00 C ATOM 204 CG GLU A 14 9.174 -7.219 -14.837 1.00 0.00 C ATOM 205 CD GLU A 14 10.521 -6.580 -14.572 1.00 0.00 C ATOM 206 OE1 GLU A 14 11.146 -6.083 -15.533 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.972 -6.589 -13.413 1.00 0.00 O ATOM 0 H GLU A 14 6.562 -6.896 -13.049 1.00 0.00 H new ATOM 0 HA GLU A 14 8.529 -4.752 -13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.195 -6.729 -15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.408 -5.541 -15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.889 -7.823 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.261 -7.897 -15.686 1.00 0.00 H new ATOM 214 N VAL A 15 6.892 -3.267 -14.861 1.00 0.00 N ATOM 215 CA VAL A 15 5.901 -2.343 -15.390 1.00 0.00 C ATOM 216 C VAL A 15 5.842 -2.453 -16.909 1.00 0.00 C ATOM 217 O VAL A 15 6.870 -2.610 -17.573 1.00 0.00 O ATOM 218 CB VAL A 15 6.186 -0.880 -14.980 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.923 -0.680 -13.496 1.00 0.00 C ATOM 220 CG2 VAL A 15 7.616 -0.491 -15.322 1.00 0.00 C ATOM 0 H VAL A 15 7.857 -2.951 -14.956 1.00 0.00 H new ATOM 0 HA VAL A 15 4.938 -2.621 -14.962 1.00 0.00 H new ATOM 0 HB VAL A 15 5.512 -0.234 -15.542 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.129 0.356 -13.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.881 -0.911 -13.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.570 -1.341 -12.919 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.793 0.543 -15.024 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.308 -1.145 -14.791 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.773 -0.591 -16.396 1.00 0.00 H new ATOM 230 N ILE A 16 4.638 -2.386 -17.451 1.00 0.00 N ATOM 231 CA ILE A 16 4.427 -2.567 -18.878 1.00 0.00 C ATOM 232 C ILE A 16 3.556 -1.447 -19.453 1.00 0.00 C ATOM 233 O ILE A 16 2.675 -0.910 -18.766 1.00 0.00 O ATOM 234 CB ILE A 16 3.798 -3.958 -19.170 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.346 -4.078 -20.633 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.640 -4.237 -18.226 1.00 0.00 C ATOM 237 CD1 ILE A 16 2.674 -5.397 -20.962 1.00 0.00 C ATOM 0 H ILE A 16 3.786 -2.206 -16.920 1.00 0.00 H new ATOM 0 HA ILE A 16 5.399 -2.521 -19.369 1.00 0.00 H new ATOM 0 HB ILE A 16 4.570 -4.708 -19.000 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.657 -3.264 -20.858 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.212 -3.951 -21.282 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.216 -5.216 -18.450 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.998 -4.223 -17.197 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.874 -3.472 -18.354 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.384 -5.405 -22.013 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.367 -6.216 -20.770 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.787 -5.519 -20.340 1.00 0.00 H new ATOM 249 N LEU A 17 3.846 -1.091 -20.705 1.00 0.00 N ATOM 250 CA LEU A 17 3.113 -0.069 -21.447 1.00 0.00 C ATOM 251 C LEU A 17 3.425 1.324 -20.904 1.00 0.00 C ATOM 252 O LEU A 17 4.400 1.942 -21.323 1.00 0.00 O ATOM 253 CB LEU A 17 1.599 -0.351 -21.434 1.00 0.00 C ATOM 254 CG LEU A 17 0.810 0.152 -22.653 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.615 -0.374 -22.612 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.802 1.673 -22.722 1.00 0.00 C ATOM 0 H LEU A 17 4.607 -1.511 -21.238 1.00 0.00 H new ATOM 0 HA LEU A 17 3.443 -0.104 -22.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.451 -1.428 -21.349 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.173 0.101 -20.538 1.00 0.00 H new ATOM 0 HG LEU A 17 1.306 -0.224 -23.548 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.162 -0.010 -23.481 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.601 -1.464 -22.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.105 -0.026 -21.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.235 1.995 -23.596 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.339 2.076 -21.821 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.826 2.039 -22.798 1.00 0.00 H new ATOM 268 N ALA A 18 2.625 1.772 -19.936 1.00 0.00 N ATOM 269 CA ALA A 18 2.699 3.140 -19.410 1.00 0.00 C ATOM 270 C ALA A 18 2.629 4.185 -20.529 1.00 0.00 C ATOM 271 O ALA A 18 3.623 4.471 -21.192 1.00 0.00 O ATOM 272 CB ALA A 18 3.959 3.330 -18.579 1.00 0.00 C ATOM 0 H ALA A 18 1.907 1.199 -19.493 1.00 0.00 H new ATOM 0 HA ALA A 18 1.831 3.289 -18.767 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.994 4.351 -18.199 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.952 2.631 -17.742 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.836 3.144 -19.200 1.00 0.00 H new ATOM 278 N THR A 19 1.447 4.759 -20.730 1.00 0.00 N ATOM 279 CA THR A 19 1.248 5.741 -21.792 1.00 0.00 C ATOM 280 C THR A 19 2.067 7.007 -21.547 1.00 0.00 C ATOM 281 O THR A 19 2.643 7.575 -22.476 1.00 0.00 O ATOM 282 CB THR A 19 -0.239 6.102 -21.948 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.905 5.964 -20.688 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.909 5.212 -22.984 1.00 0.00 C ATOM 0 H THR A 19 0.615 4.563 -20.174 1.00 0.00 H new ATOM 0 HA THR A 19 1.594 5.281 -22.717 1.00 0.00 H new ATOM 0 HB THR A 19 -0.308 7.136 -22.287 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.745 6.469 -20.705 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.960 5.487 -23.075 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.415 5.340 -23.947 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.833 4.170 -22.673 1.00 0.00 H new ATOM 292 N SER A 20 2.115 7.449 -20.298 1.00 0.00 N ATOM 293 CA SER A 20 2.974 8.559 -19.923 1.00 0.00 C ATOM 294 C SER A 20 4.320 8.021 -19.457 1.00 0.00 C ATOM 295 O SER A 20 4.506 7.721 -18.281 1.00 0.00 O ATOM 296 CB SER A 20 2.320 9.398 -18.824 1.00 0.00 C ATOM 297 OG SER A 20 1.052 9.883 -19.239 1.00 0.00 O ATOM 0 H SER A 20 1.570 7.056 -19.530 1.00 0.00 H new ATOM 0 HA SER A 20 3.126 9.202 -20.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.206 8.797 -17.922 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.968 10.236 -18.568 1.00 0.00 H new ATOM 0 HG SER A 20 0.653 10.415 -18.519 1.00 0.00 H new ATOM 303 N SER A 21 5.240 7.861 -20.388 1.00 0.00 N ATOM 304 CA SER A 21 6.536 7.287 -20.077 1.00 0.00 C ATOM 305 C SER A 21 7.665 8.259 -20.409 1.00 0.00 C ATOM 306 O SER A 21 7.847 8.652 -21.564 1.00 0.00 O ATOM 307 CB SER A 21 6.707 5.975 -20.845 1.00 0.00 C ATOM 308 OG SER A 21 6.315 6.125 -22.202 1.00 0.00 O ATOM 0 H SER A 21 5.115 8.120 -21.367 1.00 0.00 H new ATOM 0 HA SER A 21 6.584 7.087 -19.007 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.748 5.654 -20.797 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.110 5.194 -20.375 1.00 0.00 H new ATOM 0 HG SER A 21 6.654 6.977 -22.548 1.00 0.00 H new ATOM 314 N ASP A 22 8.404 8.658 -19.384 1.00 0.00 N ATOM 315 CA ASP A 22 9.569 9.513 -19.562 1.00 0.00 C ATOM 316 C ASP A 22 10.833 8.699 -19.335 1.00 0.00 C ATOM 317 O ASP A 22 10.817 7.723 -18.587 1.00 0.00 O ATOM 318 CB ASP A 22 9.514 10.706 -18.599 1.00 0.00 C ATOM 319 CG ASP A 22 10.743 11.596 -18.690 1.00 0.00 C ATOM 320 OD1 ASP A 22 11.230 11.832 -19.814 1.00 0.00 O ATOM 321 OD2 ASP A 22 11.237 12.044 -17.633 1.00 0.00 O ATOM 0 H ASP A 22 8.216 8.402 -18.415 1.00 0.00 H new ATOM 0 HA ASP A 22 9.574 9.903 -20.580 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.625 11.299 -18.814 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.413 10.338 -17.578 1.00 0.00 H new ATOM 326 N GLU A 23 11.918 9.091 -19.983 1.00 0.00 N ATOM 327 CA GLU A 23 13.172 8.361 -19.876 1.00 0.00 C ATOM 328 C GLU A 23 13.911 8.762 -18.605 1.00 0.00 C ATOM 329 O GLU A 23 14.624 7.955 -18.005 1.00 0.00 O ATOM 330 CB GLU A 23 14.042 8.625 -21.109 1.00 0.00 C ATOM 331 CG GLU A 23 15.332 7.820 -21.136 1.00 0.00 C ATOM 332 CD GLU A 23 16.128 8.040 -22.403 1.00 0.00 C ATOM 333 OE1 GLU A 23 15.875 7.327 -23.398 1.00 0.00 O ATOM 334 OE2 GLU A 23 17.011 8.923 -22.413 1.00 0.00 O ATOM 0 H GLU A 23 11.956 9.911 -20.589 1.00 0.00 H new ATOM 0 HA GLU A 23 12.955 7.294 -19.825 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.464 8.397 -22.005 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.287 9.686 -21.149 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.943 8.091 -20.275 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.097 6.760 -21.038 1.00 0.00 H new ATOM 341 N LYS A 24 13.718 10.009 -18.189 1.00 0.00 N ATOM 342 CA LYS A 24 14.359 10.519 -16.986 1.00 0.00 C ATOM 343 C LYS A 24 13.515 10.184 -15.761 1.00 0.00 C ATOM 344 O LYS A 24 14.010 10.155 -14.636 1.00 0.00 O ATOM 345 CB LYS A 24 14.569 12.032 -17.096 1.00 0.00 C ATOM 346 CG LYS A 24 15.214 12.459 -18.407 1.00 0.00 C ATOM 347 CD LYS A 24 15.524 13.949 -18.430 1.00 0.00 C ATOM 348 CE LYS A 24 15.948 14.411 -19.818 1.00 0.00 C ATOM 349 NZ LYS A 24 17.115 13.646 -20.338 1.00 0.00 N ATOM 0 H LYS A 24 13.122 10.684 -18.668 1.00 0.00 H new ATOM 0 HA LYS A 24 15.334 10.044 -16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.607 12.533 -16.993 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.193 12.366 -16.267 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.134 11.895 -18.559 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.549 12.214 -19.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.645 14.509 -18.112 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.317 14.168 -17.715 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.110 14.302 -20.506 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.198 15.472 -19.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.462 14.092 -21.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.873 13.643 -19.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.826 12.668 -20.540 1.00 0.00 H new ATOM 363 N HIS A 25 12.230 9.942 -15.994 1.00 0.00 N ATOM 364 CA HIS A 25 11.312 9.533 -14.935 1.00 0.00 C ATOM 365 C HIS A 25 10.508 8.319 -15.390 1.00 0.00 C ATOM 366 O HIS A 25 9.347 8.445 -15.783 1.00 0.00 O ATOM 367 CB HIS A 25 10.352 10.669 -14.565 1.00 0.00 C ATOM 368 CG HIS A 25 11.034 11.946 -14.192 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.450 12.872 -15.123 1.00 0.00 N ATOM 370 CD2 HIS A 25 11.365 12.456 -12.984 1.00 0.00 C ATOM 371 CE1 HIS A 25 12.004 13.897 -14.505 1.00 0.00 C ATOM 372 NE2 HIS A 25 11.964 13.670 -13.205 1.00 0.00 N ATOM 0 H HIS A 25 11.797 10.023 -16.914 1.00 0.00 H new ATOM 0 HA HIS A 25 11.902 9.279 -14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.687 10.857 -15.408 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.728 10.346 -13.732 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.346 12.779 -16.133 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.190 11.993 -12.024 1.00 0.00 H new ATOM 0 HE1 HIS A 25 12.420 14.773 -14.981 1.00 0.00 H new ATOM 380 N PRO A 26 11.131 7.136 -15.385 1.00 0.00 N ATOM 381 CA PRO A 26 10.509 5.902 -15.852 1.00 0.00 C ATOM 382 C PRO A 26 9.572 5.291 -14.807 1.00 0.00 C ATOM 383 O PRO A 26 9.709 5.548 -13.611 1.00 0.00 O ATOM 384 CB PRO A 26 11.708 4.977 -16.130 1.00 0.00 C ATOM 385 CG PRO A 26 12.933 5.795 -15.856 1.00 0.00 C ATOM 386 CD PRO A 26 12.500 6.895 -14.936 1.00 0.00 C ATOM 0 HA PRO A 26 9.879 6.066 -16.726 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.677 4.095 -15.490 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.697 4.624 -17.161 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.713 5.187 -15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.346 6.200 -16.780 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.540 6.593 -13.890 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.126 7.782 -15.036 1.00 0.00 H new ATOM 394 N PRO A 27 8.608 4.467 -15.254 1.00 0.00 N ATOM 395 CA PRO A 27 7.571 3.886 -14.384 1.00 0.00 C ATOM 396 C PRO A 27 8.109 2.879 -13.375 1.00 0.00 C ATOM 397 O PRO A 27 7.368 2.427 -12.503 1.00 0.00 O ATOM 398 CB PRO A 27 6.615 3.191 -15.367 1.00 0.00 C ATOM 399 CG PRO A 27 6.968 3.733 -16.710 1.00 0.00 C ATOM 400 CD PRO A 27 8.432 4.044 -16.651 1.00 0.00 C ATOM 0 HA PRO A 27 7.103 4.658 -13.774 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.737 2.108 -15.335 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.575 3.402 -15.119 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.754 3.007 -17.494 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.387 4.627 -16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.042 3.174 -16.892 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.709 4.831 -17.352 1.00 0.00 H new ATOM 408 N GLU A 28 9.381 2.516 -13.468 1.00 0.00 N ATOM 409 CA GLU A 28 9.943 1.617 -12.476 1.00 0.00 C ATOM 410 C GLU A 28 10.473 2.427 -11.297 1.00 0.00 C ATOM 411 O GLU A 28 10.777 1.872 -10.248 1.00 0.00 O ATOM 412 CB GLU A 28 11.026 0.693 -13.058 1.00 0.00 C ATOM 413 CG GLU A 28 12.447 1.229 -12.987 1.00 0.00 C ATOM 414 CD GLU A 28 12.715 2.333 -13.977 1.00 0.00 C ATOM 415 OE1 GLU A 28 13.001 2.020 -15.154 1.00 0.00 O ATOM 416 OE2 GLU A 28 12.659 3.511 -13.584 1.00 0.00 O ATOM 0 H GLU A 28 10.025 2.820 -14.198 1.00 0.00 H new ATOM 0 HA GLU A 28 9.146 0.958 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.988 -0.260 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.784 0.490 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.639 1.598 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.146 0.412 -13.166 1.00 0.00 H new ATOM 423 N ASN A 29 10.554 3.750 -11.481 1.00 0.00 N ATOM 424 CA ASN A 29 10.907 4.666 -10.392 1.00 0.00 C ATOM 425 C ASN A 29 9.774 4.744 -9.383 1.00 0.00 C ATOM 426 O ASN A 29 9.956 5.232 -8.270 1.00 0.00 O ATOM 427 CB ASN A 29 11.223 6.073 -10.915 1.00 0.00 C ATOM 428 CG ASN A 29 12.706 6.310 -11.142 1.00 0.00 C ATOM 429 OD1 ASN A 29 13.204 7.421 -10.950 1.00 0.00 O ATOM 430 ND2 ASN A 29 13.419 5.283 -11.571 1.00 0.00 N ATOM 0 H ASN A 29 10.380 4.210 -12.375 1.00 0.00 H new ATOM 0 HA ASN A 29 11.802 4.272 -9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.689 6.234 -11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.849 6.810 -10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.416 5.395 -11.754 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.972 4.378 -11.719 1.00 0.00 H new ATOM 437 N ILE A 30 8.596 4.285 -9.796 1.00 0.00 N ATOM 438 CA ILE A 30 7.462 4.153 -8.897 1.00 0.00 C ATOM 439 C ILE A 30 7.852 3.261 -7.722 1.00 0.00 C ATOM 440 O ILE A 30 7.779 3.665 -6.561 1.00 0.00 O ATOM 441 CB ILE A 30 6.236 3.562 -9.639 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.728 4.550 -10.690 1.00 0.00 C ATOM 443 CG2 ILE A 30 5.122 3.207 -8.674 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.481 4.089 -11.419 1.00 0.00 C ATOM 0 H ILE A 30 8.405 3.997 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 30 7.185 5.140 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 30 6.555 2.645 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.521 5.505 -10.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.518 4.727 -11.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.278 2.795 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.482 2.467 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.804 4.103 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.185 4.844 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.686 3.150 -11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.674 3.940 -10.701 1.00 0.00 H new ATOM 456 N ILE A 31 8.297 2.059 -8.044 1.00 0.00 N ATOM 457 CA ILE A 31 8.839 1.148 -7.052 1.00 0.00 C ATOM 458 C ILE A 31 10.310 1.470 -6.813 1.00 0.00 C ATOM 459 O ILE A 31 10.635 2.283 -5.945 1.00 0.00 O ATOM 460 CB ILE A 31 8.669 -0.326 -7.487 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.672 -0.442 -9.023 1.00 0.00 C ATOM 462 CG2 ILE A 31 7.392 -0.899 -6.903 1.00 0.00 C ATOM 463 CD1 ILE A 31 8.392 -1.837 -9.544 1.00 0.00 C ATOM 0 H ILE A 31 8.293 1.689 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 31 8.285 1.280 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 31 9.511 -0.903 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.926 0.241 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.641 -0.114 -9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.283 -1.937 -7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.436 -0.851 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.538 -0.321 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.413 -1.829 -10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.152 -2.524 -9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.410 -2.163 -9.202 1.00 0.00 H new ATOM 475 N ASP A 32 11.184 0.809 -7.570 1.00 0.00 N ATOM 476 CA ASP A 32 12.602 1.204 -7.703 1.00 0.00 C ATOM 477 C ASP A 32 13.427 0.866 -6.460 1.00 0.00 C ATOM 478 O ASP A 32 14.480 0.231 -6.556 1.00 0.00 O ATOM 479 CB ASP A 32 12.715 2.705 -8.023 1.00 0.00 C ATOM 480 CG ASP A 32 14.144 3.166 -8.241 1.00 0.00 C ATOM 481 OD1 ASP A 32 14.717 2.873 -9.314 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.697 3.844 -7.349 1.00 0.00 O ATOM 0 H ASP A 32 10.937 -0.018 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 32 13.014 0.625 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.130 2.924 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.276 3.278 -7.206 1.00 0.00 H new ATOM 487 N GLY A 33 12.947 1.278 -5.300 1.00 0.00 N ATOM 488 CA GLY A 33 13.667 1.036 -4.069 1.00 0.00 C ATOM 489 C GLY A 33 14.274 2.302 -3.503 1.00 0.00 C ATOM 490 O GLY A 33 15.190 2.245 -2.685 1.00 0.00 O ATOM 0 H GLY A 33 12.066 1.779 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.990 0.600 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.456 0.306 -4.249 1.00 0.00 H new ATOM 494 N ASN A 34 13.781 3.446 -3.956 1.00 0.00 N ATOM 495 CA ASN A 34 14.209 4.731 -3.419 1.00 0.00 C ATOM 496 C ASN A 34 12.995 5.616 -3.164 1.00 0.00 C ATOM 497 O ASN A 34 12.059 5.645 -3.961 1.00 0.00 O ATOM 498 CB ASN A 34 15.182 5.446 -4.369 1.00 0.00 C ATOM 499 CG ASN A 34 16.506 4.724 -4.521 1.00 0.00 C ATOM 500 OD1 ASN A 34 17.433 4.925 -3.737 1.00 0.00 O ATOM 501 ND2 ASN A 34 16.617 3.898 -5.548 1.00 0.00 N ATOM 0 H ASN A 34 13.082 3.511 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 34 14.732 4.543 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.715 5.546 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.366 6.455 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.493 3.402 -5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.826 3.757 -6.177 1.00 0.00 H new ATOM 508 N PRO A 35 12.979 6.330 -2.032 1.00 0.00 N ATOM 509 CA PRO A 35 11.886 7.242 -1.685 1.00 0.00 C ATOM 510 C PRO A 35 11.879 8.500 -2.551 1.00 0.00 C ATOM 511 O PRO A 35 10.827 9.077 -2.812 1.00 0.00 O ATOM 512 CB PRO A 35 12.164 7.611 -0.220 1.00 0.00 C ATOM 513 CG PRO A 35 13.219 6.661 0.243 1.00 0.00 C ATOM 514 CD PRO A 35 13.999 6.285 -0.978 1.00 0.00 C ATOM 0 HA PRO A 35 10.913 6.776 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.502 8.644 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.262 7.519 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.863 7.126 0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.775 5.781 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.813 6.984 -1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.444 5.294 -0.886 1.00 0.00 H new ATOM 522 N GLU A 36 13.056 8.909 -3.007 1.00 0.00 N ATOM 523 CA GLU A 36 13.196 10.160 -3.746 1.00 0.00 C ATOM 524 C GLU A 36 12.854 9.982 -5.228 1.00 0.00 C ATOM 525 O GLU A 36 12.586 10.954 -5.931 1.00 0.00 O ATOM 526 CB GLU A 36 14.616 10.704 -3.583 1.00 0.00 C ATOM 527 CG GLU A 36 14.850 12.036 -4.278 1.00 0.00 C ATOM 528 CD GLU A 36 16.254 12.558 -4.072 1.00 0.00 C ATOM 529 OE1 GLU A 36 17.211 11.884 -4.510 1.00 0.00 O ATOM 530 OE2 GLU A 36 16.406 13.635 -3.462 1.00 0.00 O ATOM 0 H GLU A 36 13.927 8.394 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 36 12.487 10.878 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.831 10.817 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.322 9.972 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.661 11.923 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.135 12.768 -3.903 1.00 0.00 H new ATOM 537 N THR A 37 12.830 8.744 -5.696 1.00 0.00 N ATOM 538 CA THR A 37 12.535 8.477 -7.092 1.00 0.00 C ATOM 539 C THR A 37 11.045 8.257 -7.281 1.00 0.00 C ATOM 540 O THR A 37 10.396 7.630 -6.447 1.00 0.00 O ATOM 541 CB THR A 37 13.320 7.255 -7.601 1.00 0.00 C ATOM 542 OG1 THR A 37 13.275 6.204 -6.629 1.00 0.00 O ATOM 543 CG2 THR A 37 14.765 7.626 -7.882 1.00 0.00 C ATOM 0 H THR A 37 13.010 7.913 -5.132 1.00 0.00 H new ATOM 0 HA THR A 37 12.844 9.345 -7.674 1.00 0.00 H new ATOM 0 HB THR A 37 12.859 6.913 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.448 6.276 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.303 6.748 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.799 8.408 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.232 7.989 -6.966 1.00 0.00 H new ATOM 551 N PHE A 38 10.499 8.804 -8.357 1.00 0.00 N ATOM 552 CA PHE A 38 9.063 8.766 -8.579 1.00 0.00 C ATOM 553 C PHE A 38 8.734 8.850 -10.062 1.00 0.00 C ATOM 554 O PHE A 38 9.588 9.184 -10.886 1.00 0.00 O ATOM 555 CB PHE A 38 8.382 9.925 -7.834 1.00 0.00 C ATOM 556 CG PHE A 38 8.803 11.290 -8.318 1.00 0.00 C ATOM 557 CD1 PHE A 38 9.978 11.872 -7.867 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.023 11.989 -9.229 1.00 0.00 C ATOM 559 CE1 PHE A 38 10.367 13.120 -8.314 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.409 13.239 -9.680 1.00 0.00 C ATOM 561 CZ PHE A 38 9.583 13.804 -9.221 1.00 0.00 C ATOM 0 H PHE A 38 11.028 9.278 -9.088 1.00 0.00 H new ATOM 0 HA PHE A 38 8.690 7.816 -8.196 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.302 9.829 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.605 9.842 -6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.597 11.343 -7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.104 11.552 -9.590 1.00 0.00 H new ATOM 0 HE1 PHE A 38 11.285 13.561 -7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.793 13.772 -10.390 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.887 14.779 -9.571 1.00 0.00 H new ATOM 571 N TRP A 39 7.485 8.561 -10.382 1.00 0.00 N ATOM 572 CA TRP A 39 6.969 8.705 -11.732 1.00 0.00 C ATOM 573 C TRP A 39 5.825 9.712 -11.712 1.00 0.00 C ATOM 574 O TRP A 39 5.026 9.737 -10.770 1.00 0.00 O ATOM 575 CB TRP A 39 6.507 7.341 -12.263 1.00 0.00 C ATOM 576 CG TRP A 39 5.714 7.395 -13.538 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.198 7.392 -14.816 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.285 7.437 -13.651 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.157 7.441 -15.710 1.00 0.00 N ATOM 580 CE2 TRP A 39 3.976 7.472 -15.019 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.239 7.458 -12.723 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.664 7.520 -15.487 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.939 7.505 -13.187 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.661 7.538 -14.557 1.00 0.00 C ATOM 0 H TRP A 39 6.798 8.219 -9.711 1.00 0.00 H new ATOM 0 HA TRP A 39 7.749 9.071 -12.400 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.384 6.714 -12.424 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.903 6.855 -11.497 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.244 7.356 -15.083 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.249 7.452 -16.726 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.444 7.438 -11.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.447 7.542 -16.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.123 7.516 -12.480 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.634 7.579 -14.888 1.00 0.00 H new ATOM 595 N THR A 40 5.757 10.551 -12.730 1.00 0.00 N ATOM 596 CA THR A 40 4.750 11.592 -12.783 1.00 0.00 C ATOM 597 C THR A 40 4.097 11.624 -14.160 1.00 0.00 C ATOM 598 O THR A 40 4.601 11.026 -15.113 1.00 0.00 O ATOM 599 CB THR A 40 5.356 12.974 -12.441 1.00 0.00 C ATOM 600 OG1 THR A 40 4.317 13.946 -12.269 1.00 0.00 O ATOM 601 CG2 THR A 40 6.319 13.439 -13.525 1.00 0.00 C ATOM 0 H THR A 40 6.388 10.531 -13.531 1.00 0.00 H new ATOM 0 HA THR A 40 3.989 11.365 -12.036 1.00 0.00 H new ATOM 0 HB THR A 40 5.911 12.870 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.066 13.992 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.728 14.413 -13.255 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.131 12.719 -13.623 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.788 13.519 -14.474 1.00 0.00 H new ATOM 609 N THR A 41 2.980 12.319 -14.256 1.00 0.00 N ATOM 610 CA THR A 41 2.221 12.376 -15.486 1.00 0.00 C ATOM 611 C THR A 41 2.503 13.671 -16.240 1.00 0.00 C ATOM 612 O THR A 41 2.648 14.731 -15.637 1.00 0.00 O ATOM 613 CB THR A 41 0.717 12.249 -15.195 1.00 0.00 C ATOM 614 OG1 THR A 41 0.328 13.213 -14.209 1.00 0.00 O ATOM 615 CG2 THR A 41 0.384 10.853 -14.694 1.00 0.00 C ATOM 0 H THR A 41 2.577 12.856 -13.488 1.00 0.00 H new ATOM 0 HA THR A 41 2.530 11.540 -16.113 1.00 0.00 H new ATOM 0 HB THR A 41 0.172 12.431 -16.121 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.630 12.917 -13.325 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.685 10.784 -14.494 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.660 10.119 -15.451 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.938 10.654 -13.777 1.00 0.00 H new ATOM 623 N THR A 42 2.575 13.580 -17.560 1.00 0.00 N ATOM 624 CA THR A 42 2.902 14.729 -18.394 1.00 0.00 C ATOM 625 C THR A 42 1.655 15.531 -18.774 1.00 0.00 C ATOM 626 O THR A 42 1.643 16.238 -19.782 1.00 0.00 O ATOM 627 CB THR A 42 3.622 14.268 -19.672 1.00 0.00 C ATOM 628 OG1 THR A 42 2.942 13.132 -20.228 1.00 0.00 O ATOM 629 CG2 THR A 42 5.071 13.907 -19.379 1.00 0.00 C ATOM 0 H THR A 42 2.410 12.718 -18.079 1.00 0.00 H new ATOM 0 HA THR A 42 3.557 15.377 -17.812 1.00 0.00 H new ATOM 0 HB THR A 42 3.610 15.089 -20.389 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.402 12.842 -21.043 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.559 13.584 -20.299 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.590 14.779 -18.980 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.104 13.099 -18.648 1.00 0.00 H new ATOM 637 N GLY A 43 0.613 15.428 -17.957 1.00 0.00 N ATOM 638 CA GLY A 43 -0.617 16.151 -18.223 1.00 0.00 C ATOM 639 C GLY A 43 -1.545 15.399 -19.155 1.00 0.00 C ATOM 640 O GLY A 43 -2.639 15.865 -19.467 1.00 0.00 O ATOM 0 H GLY A 43 0.598 14.855 -17.113 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.132 16.344 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.377 17.121 -18.660 1.00 0.00 H new ATOM 644 N MET A 44 -1.109 14.227 -19.595 1.00 0.00 N ATOM 645 CA MET A 44 -1.902 13.401 -20.497 1.00 0.00 C ATOM 646 C MET A 44 -3.018 12.690 -19.736 1.00 0.00 C ATOM 647 O MET A 44 -2.844 11.565 -19.279 1.00 0.00 O ATOM 648 CB MET A 44 -1.003 12.379 -21.201 1.00 0.00 C ATOM 649 CG MET A 44 -1.747 11.437 -22.138 1.00 0.00 C ATOM 650 SD MET A 44 -0.684 10.132 -22.785 1.00 0.00 S ATOM 651 CE MET A 44 -1.862 9.188 -23.747 1.00 0.00 C ATOM 0 H MET A 44 -0.207 13.825 -19.341 1.00 0.00 H new ATOM 0 HA MET A 44 -2.358 14.047 -21.248 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.241 12.912 -21.769 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.483 11.788 -20.447 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.587 10.988 -21.607 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.163 12.008 -22.968 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.357 8.342 -24.213 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.655 8.822 -23.094 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.293 9.824 -24.520 1.00 0.00 H new ATOM 661 N PHE A 45 -4.143 13.366 -19.566 1.00 0.00 N ATOM 662 CA PHE A 45 -5.296 12.774 -18.901 1.00 0.00 C ATOM 663 C PHE A 45 -6.387 12.452 -19.917 1.00 0.00 C ATOM 664 O PHE A 45 -6.780 13.313 -20.706 1.00 0.00 O ATOM 665 CB PHE A 45 -5.847 13.713 -17.821 1.00 0.00 C ATOM 666 CG PHE A 45 -4.921 13.911 -16.653 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.881 12.988 -15.621 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.093 15.020 -16.587 1.00 0.00 C ATOM 669 CE1 PHE A 45 -4.033 13.168 -14.544 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.243 15.205 -15.513 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.213 14.278 -14.491 1.00 0.00 C ATOM 0 H PHE A 45 -4.284 14.326 -19.879 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.972 11.850 -18.422 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.060 14.683 -18.271 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.794 13.315 -17.457 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.520 12.118 -15.658 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.112 15.748 -17.384 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.012 12.442 -13.745 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.603 16.074 -15.474 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.549 14.420 -13.651 1.00 0.00 H new ATOM 681 N PRO A 46 -6.900 11.214 -19.909 1.00 0.00 N ATOM 682 CA PRO A 46 -6.462 10.172 -18.983 1.00 0.00 C ATOM 683 C PRO A 46 -5.276 9.371 -19.515 1.00 0.00 C ATOM 684 O PRO A 46 -5.065 9.276 -20.728 1.00 0.00 O ATOM 685 CB PRO A 46 -7.700 9.287 -18.887 1.00 0.00 C ATOM 686 CG PRO A 46 -8.333 9.377 -20.236 1.00 0.00 C ATOM 687 CD PRO A 46 -7.968 10.731 -20.801 1.00 0.00 C ATOM 0 HA PRO A 46 -6.116 10.577 -18.032 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.434 8.259 -18.642 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.377 9.636 -18.107 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.975 8.578 -20.885 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.415 9.267 -20.163 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.622 10.653 -21.832 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.823 11.407 -20.802 1.00 0.00 H new ATOM 695 N GLN A 47 -4.505 8.802 -18.601 1.00 0.00 N ATOM 696 CA GLN A 47 -3.389 7.944 -18.964 1.00 0.00 C ATOM 697 C GLN A 47 -3.499 6.618 -18.228 1.00 0.00 C ATOM 698 O GLN A 47 -4.382 6.438 -17.385 1.00 0.00 O ATOM 699 CB GLN A 47 -2.038 8.609 -18.657 1.00 0.00 C ATOM 700 CG GLN A 47 -1.744 8.806 -17.174 1.00 0.00 C ATOM 701 CD GLN A 47 -2.640 9.839 -16.523 1.00 0.00 C ATOM 702 OE1 GLN A 47 -3.702 9.518 -16.005 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.222 11.091 -16.562 1.00 0.00 N ATOM 0 H GLN A 47 -4.634 8.921 -17.596 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.434 7.770 -20.039 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.244 8.003 -19.093 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.006 9.580 -19.151 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.862 7.854 -16.657 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.704 9.108 -17.053 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.331 11.318 -17.003 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.790 11.832 -16.151 1.00 0.00 H new ATOM 712 N GLU A 48 -2.599 5.700 -18.534 1.00 0.00 N ATOM 713 CA GLU A 48 -2.665 4.361 -17.977 1.00 0.00 C ATOM 714 C GLU A 48 -1.276 3.752 -17.854 1.00 0.00 C ATOM 715 O GLU A 48 -0.402 3.989 -18.692 1.00 0.00 O ATOM 716 CB GLU A 48 -3.537 3.474 -18.866 1.00 0.00 C ATOM 717 CG GLU A 48 -3.023 3.371 -20.292 1.00 0.00 C ATOM 718 CD GLU A 48 -3.933 2.568 -21.186 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.759 1.337 -21.264 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.820 3.169 -21.825 1.00 0.00 O ATOM 0 H GLU A 48 -1.814 5.858 -19.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.102 4.426 -16.981 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.590 2.475 -18.432 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.552 3.870 -18.880 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.908 4.373 -20.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.033 2.914 -20.284 1.00 0.00 H new ATOM 727 N PHE A 49 -1.077 2.978 -16.804 1.00 0.00 N ATOM 728 CA PHE A 49 0.141 2.207 -16.644 1.00 0.00 C ATOM 729 C PHE A 49 -0.201 0.835 -16.085 1.00 0.00 C ATOM 730 O PHE A 49 -1.030 0.712 -15.181 1.00 0.00 O ATOM 731 CB PHE A 49 1.159 2.942 -15.753 1.00 0.00 C ATOM 732 CG PHE A 49 0.666 3.287 -14.370 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.114 4.413 -14.157 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.999 2.492 -13.284 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.555 4.738 -12.888 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.562 2.814 -12.013 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.216 3.938 -11.815 1.00 0.00 C ATOM 0 H PHE A 49 -1.748 2.866 -16.044 1.00 0.00 H new ATOM 0 HA PHE A 49 0.612 2.083 -17.619 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.051 2.323 -15.660 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.460 3.862 -16.255 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.380 5.044 -14.992 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.606 1.612 -13.433 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.164 5.617 -12.736 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.829 2.187 -11.175 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.559 4.191 -10.822 1.00 0.00 H new ATOM 747 N ILE A 50 0.404 -0.198 -16.648 1.00 0.00 N ATOM 748 CA ILE A 50 0.105 -1.557 -16.240 1.00 0.00 C ATOM 749 C ILE A 50 1.248 -2.113 -15.407 1.00 0.00 C ATOM 750 O ILE A 50 2.410 -2.028 -15.801 1.00 0.00 O ATOM 751 CB ILE A 50 -0.129 -2.482 -17.455 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.084 -1.826 -18.456 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.681 -3.829 -16.998 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.369 -2.675 -19.676 1.00 0.00 C ATOM 0 H ILE A 50 1.103 -0.120 -17.387 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.811 -1.526 -15.650 1.00 0.00 H new ATOM 0 HB ILE A 50 0.828 -2.648 -17.951 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.025 -1.602 -17.953 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.660 -0.875 -18.778 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.841 -4.470 -17.865 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.031 -4.303 -16.322 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.628 -3.677 -16.480 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.053 -2.143 -20.338 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.437 -2.878 -20.204 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.823 -3.616 -19.366 1.00 0.00 H new ATOM 766 N ILE A 51 0.923 -2.658 -14.252 1.00 0.00 N ATOM 767 CA ILE A 51 1.921 -3.296 -13.416 1.00 0.00 C ATOM 768 C ILE A 51 1.631 -4.785 -13.332 1.00 0.00 C ATOM 769 O ILE A 51 0.545 -5.194 -12.917 1.00 0.00 O ATOM 770 CB ILE A 51 1.963 -2.695 -11.995 1.00 0.00 C ATOM 771 CG1 ILE A 51 2.096 -1.170 -12.060 1.00 0.00 C ATOM 772 CG2 ILE A 51 3.126 -3.292 -11.211 1.00 0.00 C ATOM 773 CD1 ILE A 51 2.110 -0.499 -10.702 1.00 0.00 C ATOM 0 H ILE A 51 -0.023 -2.672 -13.871 1.00 0.00 H new ATOM 0 HA ILE A 51 2.896 -3.124 -13.873 1.00 0.00 H new ATOM 0 HB ILE A 51 1.030 -2.938 -11.486 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.015 -0.917 -12.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.269 -0.767 -12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.148 -2.862 -10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.000 -4.372 -11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.062 -3.069 -11.722 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.207 0.579 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.181 -0.720 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.953 -0.872 -10.120 1.00 0.00 H new ATOM 785 N CYS A 52 2.587 -5.590 -13.756 1.00 0.00 N ATOM 786 CA CYS A 52 2.432 -7.030 -13.713 1.00 0.00 C ATOM 787 C CYS A 52 3.229 -7.606 -12.555 1.00 0.00 C ATOM 788 O CYS A 52 4.396 -7.260 -12.359 1.00 0.00 O ATOM 789 CB CYS A 52 2.866 -7.659 -15.037 1.00 0.00 C ATOM 790 SG CYS A 52 4.521 -7.185 -15.587 1.00 0.00 S ATOM 0 H CYS A 52 3.479 -5.270 -14.134 1.00 0.00 H new ATOM 0 HA CYS A 52 1.379 -7.264 -13.559 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.827 -8.744 -14.939 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.148 -7.382 -15.809 1.00 0.00 H new ATOM 0 HG CYS A 52 5.044 -6.361 -14.729 1.00 0.00 H new ATOM 796 N PHE A 53 2.591 -8.483 -11.794 1.00 0.00 N ATOM 797 CA PHE A 53 3.210 -9.071 -10.611 1.00 0.00 C ATOM 798 C PHE A 53 4.314 -10.044 -10.992 1.00 0.00 C ATOM 799 O PHE A 53 5.094 -10.472 -10.143 1.00 0.00 O ATOM 800 CB PHE A 53 2.155 -9.777 -9.761 1.00 0.00 C ATOM 801 CG PHE A 53 1.098 -8.844 -9.251 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.302 -8.121 -8.090 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.095 -8.686 -9.935 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.336 -7.255 -7.620 1.00 0.00 C ATOM 805 CE2 PHE A 53 -1.066 -7.823 -9.470 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.849 -7.107 -8.310 1.00 0.00 C ATOM 0 H PHE A 53 1.640 -8.806 -11.974 1.00 0.00 H new ATOM 0 HA PHE A 53 3.658 -8.265 -10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.685 -10.562 -10.353 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.642 -10.263 -8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.227 -8.235 -7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.268 -9.245 -10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.508 -6.694 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.993 -7.708 -10.012 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.607 -6.431 -7.943 1.00 0.00 H new ATOM 816 N HIS A 54 4.352 -10.401 -12.276 1.00 0.00 N ATOM 817 CA HIS A 54 5.410 -11.244 -12.832 1.00 0.00 C ATOM 818 C HIS A 54 5.301 -12.678 -12.309 1.00 0.00 C ATOM 819 O HIS A 54 6.183 -13.503 -12.538 1.00 0.00 O ATOM 820 CB HIS A 54 6.786 -10.645 -12.496 1.00 0.00 C ATOM 821 CG HIS A 54 7.899 -11.143 -13.361 1.00 0.00 C ATOM 822 ND1 HIS A 54 8.995 -11.822 -12.873 1.00 0.00 N ATOM 823 CD2 HIS A 54 8.085 -11.042 -14.694 1.00 0.00 C ATOM 824 CE1 HIS A 54 9.804 -12.118 -13.872 1.00 0.00 C ATOM 825 NE2 HIS A 54 9.274 -11.657 -14.988 1.00 0.00 N ATOM 0 H HIS A 54 3.651 -10.114 -12.959 1.00 0.00 H new ATOM 0 HA HIS A 54 5.295 -11.277 -13.915 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.729 -9.560 -12.585 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.022 -10.867 -11.455 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.420 -10.565 -15.399 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.741 -12.648 -13.790 1.00 0.00 H new ATOM 0 HE2 HIS A 54 9.682 -11.744 -15.919 1.00 0.00 H new ATOM 833 N LYS A 55 4.198 -12.970 -11.625 1.00 0.00 N ATOM 834 CA LYS A 55 3.972 -14.280 -11.032 1.00 0.00 C ATOM 835 C LYS A 55 2.523 -14.410 -10.570 1.00 0.00 C ATOM 836 O LYS A 55 1.716 -13.508 -10.789 1.00 0.00 O ATOM 837 CB LYS A 55 4.933 -14.503 -9.859 1.00 0.00 C ATOM 838 CG LYS A 55 4.947 -13.370 -8.843 1.00 0.00 C ATOM 839 CD LYS A 55 6.083 -13.541 -7.852 1.00 0.00 C ATOM 840 CE LYS A 55 6.234 -12.334 -6.937 1.00 0.00 C ATOM 841 NZ LYS A 55 7.399 -12.477 -6.024 1.00 0.00 N ATOM 0 H LYS A 55 3.440 -12.306 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 55 4.163 -15.044 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.661 -15.428 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.941 -14.638 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.051 -12.416 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.996 -13.343 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.906 -14.432 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.015 -13.703 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.352 -11.433 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.325 -12.207 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.327 -11.778 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.407 -13.435 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.278 -12.319 -6.556 1.00 0.00 H new ATOM 855 N HIS A 56 2.198 -15.533 -9.939 1.00 0.00 N ATOM 856 CA HIS A 56 0.843 -15.777 -9.448 1.00 0.00 C ATOM 857 C HIS A 56 0.725 -15.303 -8.006 1.00 0.00 C ATOM 858 O HIS A 56 1.413 -15.821 -7.123 1.00 0.00 O ATOM 859 CB HIS A 56 0.487 -17.269 -9.525 1.00 0.00 C ATOM 860 CG HIS A 56 0.321 -17.815 -10.916 1.00 0.00 C ATOM 861 ND1 HIS A 56 -0.267 -19.035 -11.171 1.00 0.00 N ATOM 862 CD2 HIS A 56 0.686 -17.321 -12.125 1.00 0.00 C ATOM 863 CE1 HIS A 56 -0.258 -19.266 -12.469 1.00 0.00 C ATOM 864 NE2 HIS A 56 0.315 -18.244 -13.074 1.00 0.00 N ATOM 0 H HIS A 56 2.855 -16.291 -9.754 1.00 0.00 H new ATOM 0 HA HIS A 56 0.148 -15.222 -10.079 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.266 -17.839 -9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.439 -17.435 -8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.177 -16.377 -12.308 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.654 -20.145 -12.955 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.459 -18.153 -14.080 1.00 0.00 H new ATOM 872 N VAL A 57 -0.139 -14.327 -7.763 1.00 0.00 N ATOM 873 CA VAL A 57 -0.280 -13.749 -6.432 1.00 0.00 C ATOM 874 C VAL A 57 -1.745 -13.651 -6.013 1.00 0.00 C ATOM 875 O VAL A 57 -2.654 -13.830 -6.828 1.00 0.00 O ATOM 876 CB VAL A 57 0.343 -12.335 -6.348 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.810 -12.360 -6.746 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.436 -11.347 -7.206 1.00 0.00 C ATOM 0 H VAL A 57 -0.752 -13.919 -8.468 1.00 0.00 H new ATOM 0 HA VAL A 57 0.251 -14.420 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 57 0.283 -12.003 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.223 -11.353 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.358 -13.023 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.903 -12.722 -7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.021 -10.360 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.420 -11.676 -8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.468 -11.297 -6.857 1.00 0.00 H new ATOM 888 N ARG A 58 -1.952 -13.372 -4.735 1.00 0.00 N ATOM 889 CA ARG A 58 -3.272 -13.093 -4.194 1.00 0.00 C ATOM 890 C ARG A 58 -3.284 -11.686 -3.619 1.00 0.00 C ATOM 891 O ARG A 58 -2.448 -11.355 -2.776 1.00 0.00 O ATOM 892 CB ARG A 58 -3.644 -14.083 -3.089 1.00 0.00 C ATOM 893 CG ARG A 58 -3.641 -15.535 -3.524 1.00 0.00 C ATOM 894 CD ARG A 58 -4.126 -16.444 -2.407 1.00 0.00 C ATOM 895 NE ARG A 58 -3.949 -17.855 -2.738 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.945 -18.729 -2.853 1.00 0.00 C ATOM 897 NH1 ARG A 58 -6.205 -18.348 -2.657 1.00 0.00 N ATOM 898 NH2 ARG A 58 -4.674 -19.991 -3.159 1.00 0.00 N ATOM 0 H ARG A 58 -1.205 -13.333 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.999 -13.189 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.946 -13.963 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.635 -13.831 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.280 -15.657 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.634 -15.826 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.582 -16.215 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.180 -16.247 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.999 -18.193 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.413 -17.379 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.962 -19.025 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.708 -20.284 -3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.432 -20.668 -3.249 1.00 0.00 H new ATOM 912 N ILE A 59 -4.221 -10.870 -4.072 1.00 0.00 N ATOM 913 CA ILE A 59 -4.330 -9.499 -3.603 1.00 0.00 C ATOM 914 C ILE A 59 -5.395 -9.406 -2.519 1.00 0.00 C ATOM 915 O ILE A 59 -6.524 -9.866 -2.706 1.00 0.00 O ATOM 916 CB ILE A 59 -4.689 -8.535 -4.754 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.677 -8.659 -5.898 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.745 -7.101 -4.246 1.00 0.00 C ATOM 919 CD1 ILE A 59 -4.049 -7.849 -7.122 1.00 0.00 C ATOM 0 H ILE A 59 -4.920 -11.135 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.360 -9.207 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.673 -8.807 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.698 -8.338 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.586 -9.708 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.999 -6.433 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.502 -7.021 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.774 -6.821 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.289 -7.983 -7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.014 -8.186 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.112 -6.794 -6.855 1.00 0.00 H new ATOM 931 N GLU A 60 -5.033 -8.836 -1.381 1.00 0.00 N ATOM 932 CA GLU A 60 -5.965 -8.701 -0.276 1.00 0.00 C ATOM 933 C GLU A 60 -6.146 -7.231 0.098 1.00 0.00 C ATOM 934 O GLU A 60 -7.236 -6.810 0.493 1.00 0.00 O ATOM 935 CB GLU A 60 -5.463 -9.518 0.916 1.00 0.00 C ATOM 936 CG GLU A 60 -6.478 -9.678 2.031 1.00 0.00 C ATOM 937 CD GLU A 60 -6.150 -10.847 2.933 1.00 0.00 C ATOM 938 OE1 GLU A 60 -5.270 -10.704 3.805 1.00 0.00 O ATOM 939 OE2 GLU A 60 -6.765 -11.922 2.762 1.00 0.00 O ATOM 0 H GLU A 60 -4.102 -8.460 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.940 -9.085 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.166 -10.506 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.570 -9.041 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.514 -8.763 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.470 -9.819 1.601 1.00 0.00 H new ATOM 946 N ARG A 61 -5.078 -6.452 -0.030 1.00 0.00 N ATOM 947 CA ARG A 61 -5.129 -5.019 0.248 1.00 0.00 C ATOM 948 C ARG A 61 -4.187 -4.264 -0.682 1.00 0.00 C ATOM 949 O ARG A 61 -3.108 -4.746 -0.993 1.00 0.00 O ATOM 950 CB ARG A 61 -4.738 -4.738 1.703 1.00 0.00 C ATOM 951 CG ARG A 61 -5.670 -5.378 2.719 1.00 0.00 C ATOM 952 CD ARG A 61 -5.039 -5.439 4.098 1.00 0.00 C ATOM 953 NE ARG A 61 -5.354 -4.266 4.912 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.584 -3.181 5.002 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.460 -3.088 4.304 1.00 0.00 N ATOM 956 NH2 ARG A 61 -4.935 -2.186 5.805 1.00 0.00 N ATOM 0 H ARG A 61 -4.162 -6.789 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.151 -4.679 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.724 -5.100 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.723 -3.660 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.599 -4.811 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.929 -6.385 2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.383 -6.337 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.957 -5.526 3.995 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.222 -4.278 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.176 -3.851 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.879 -2.253 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.793 -2.251 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.347 -1.355 5.875 1.00 0.00 H new ATOM 970 N LEU A 62 -4.607 -3.098 -1.135 1.00 0.00 N ATOM 971 CA LEU A 62 -3.756 -2.241 -1.945 1.00 0.00 C ATOM 972 C LEU A 62 -3.361 -1.010 -1.149 1.00 0.00 C ATOM 973 O LEU A 62 -4.211 -0.210 -0.773 1.00 0.00 O ATOM 974 CB LEU A 62 -4.454 -1.803 -3.242 1.00 0.00 C ATOM 975 CG LEU A 62 -4.784 -2.914 -4.242 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.099 -3.587 -3.892 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.825 -2.358 -5.656 1.00 0.00 C ATOM 0 H LEU A 62 -5.537 -2.719 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.870 -2.817 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.381 -1.295 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.820 -1.070 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.997 -3.667 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.310 -4.372 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.031 -4.023 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.902 -2.850 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.061 -3.160 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.589 -1.584 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.854 -1.931 -5.907 1.00 0.00 H new ATOM 989 N VAL A 63 -2.079 -0.873 -0.880 1.00 0.00 N ATOM 990 CA VAL A 63 -1.575 0.300 -0.188 1.00 0.00 C ATOM 991 C VAL A 63 -1.184 1.347 -1.211 1.00 0.00 C ATOM 992 O VAL A 63 -0.128 1.248 -1.839 1.00 0.00 O ATOM 993 CB VAL A 63 -0.358 -0.037 0.696 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.147 1.205 1.417 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.709 -1.132 1.686 1.00 0.00 C ATOM 0 H VAL A 63 -1.365 -1.558 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.364 0.678 0.463 1.00 0.00 H new ATOM 0 HB VAL A 63 0.444 -0.401 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.006 0.943 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.442 1.956 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.645 1.606 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.161 -1.358 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.528 -0.798 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.013 -2.028 1.145 1.00 0.00 H new ATOM 1005 N ILE A 64 -2.043 2.332 -1.409 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.815 3.307 -2.458 1.00 0.00 C ATOM 1007 C ILE A 64 -1.595 4.705 -1.897 1.00 0.00 C ATOM 1008 O ILE A 64 -2.477 5.292 -1.269 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.970 3.323 -3.486 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.112 1.943 -4.137 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -2.734 4.387 -4.552 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -4.133 1.894 -5.253 1.00 0.00 C ATOM 0 H ILE A 64 -2.893 2.476 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.903 2.999 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.894 3.566 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.143 1.636 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.389 1.218 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.560 4.379 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.672 5.367 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.802 4.177 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.176 0.885 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.113 2.168 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.847 2.593 -6.039 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.391 5.211 -2.121 1.00 0.00 N ATOM 1025 CA GLN A 65 -0.058 6.587 -1.812 1.00 0.00 C ATOM 1026 C GLN A 65 -0.207 7.414 -3.079 1.00 0.00 C ATOM 1027 O GLN A 65 0.646 7.366 -3.968 1.00 0.00 O ATOM 1028 CB GLN A 65 1.383 6.691 -1.299 1.00 0.00 C ATOM 1029 CG GLN A 65 1.774 8.100 -0.892 1.00 0.00 C ATOM 1030 CD GLN A 65 3.252 8.243 -0.578 1.00 0.00 C ATOM 1031 OE1 GLN A 65 3.910 7.290 -0.164 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.777 9.444 -0.760 1.00 0.00 N ATOM 0 H GLN A 65 0.380 4.677 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.727 6.956 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.506 6.026 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.064 6.342 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.511 8.789 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.193 8.393 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.196 10.208 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.763 9.606 -0.555 1.00 0.00 H new ATOM 1041 N SER A 66 -1.297 8.153 -3.166 1.00 0.00 N ATOM 1042 CA SER A 66 -1.610 8.885 -4.377 1.00 0.00 C ATOM 1043 C SER A 66 -1.747 10.378 -4.099 1.00 0.00 C ATOM 1044 O SER A 66 -2.053 10.788 -2.979 1.00 0.00 O ATOM 1045 CB SER A 66 -2.894 8.328 -4.993 1.00 0.00 C ATOM 1046 OG SER A 66 -3.916 8.199 -4.019 1.00 0.00 O ATOM 0 H SER A 66 -1.978 8.262 -2.415 1.00 0.00 H new ATOM 0 HA SER A 66 -0.790 8.759 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.232 8.986 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.693 7.356 -5.443 1.00 0.00 H new ATOM 0 HG SER A 66 -4.726 7.843 -4.440 1.00 0.00 H new ATOM 1052 N TYR A 67 -1.492 11.182 -5.120 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.605 12.625 -5.011 1.00 0.00 C ATOM 1054 C TYR A 67 -2.311 13.201 -6.226 1.00 0.00 C ATOM 1055 O TYR A 67 -2.065 12.766 -7.352 1.00 0.00 O ATOM 1056 CB TYR A 67 -0.224 13.263 -4.876 1.00 0.00 C ATOM 1057 CG TYR A 67 0.090 13.744 -3.480 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -0.360 14.982 -3.042 1.00 0.00 C ATOM 1059 CD2 TYR A 67 0.839 12.969 -2.607 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -0.074 15.434 -1.771 1.00 0.00 C ATOM 1061 CE2 TYR A 67 1.132 13.417 -1.333 1.00 0.00 C ATOM 1062 CZ TYR A 67 0.673 14.649 -0.920 1.00 0.00 C ATOM 1063 OH TYR A 67 0.971 15.103 0.345 1.00 0.00 O ATOM 0 H TYR A 67 -1.203 10.853 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.191 12.848 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.532 12.539 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.154 14.105 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.943 15.601 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.198 12.002 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.434 16.398 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.718 12.804 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 67 0.255 15.694 0.658 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.205 14.161 -5.978 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.890 14.926 -7.032 1.00 0.00 C ATOM 1075 C PHE A 68 -4.939 14.092 -7.770 1.00 0.00 C ATOM 1076 O PHE A 68 -5.737 14.632 -8.534 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.886 15.500 -8.043 1.00 0.00 C ATOM 1078 CG PHE A 68 -1.747 16.259 -7.417 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -1.980 17.414 -6.688 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.442 15.815 -7.561 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -0.933 18.109 -6.114 1.00 0.00 C ATOM 1082 CE2 PHE A 68 0.609 16.507 -6.990 1.00 0.00 C ATOM 1083 CZ PHE A 68 0.361 17.655 -6.265 1.00 0.00 C ATOM 0 H PHE A 68 -3.479 14.434 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.404 15.745 -6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.480 14.683 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.416 16.161 -8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.991 17.775 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.244 14.917 -8.127 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.127 19.008 -5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.621 16.151 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.180 18.198 -5.816 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.937 12.788 -7.533 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.826 11.869 -8.234 1.00 0.00 C ATOM 1095 C VAL A 69 -7.285 12.119 -7.864 1.00 0.00 C ATOM 1096 O VAL A 69 -7.594 12.473 -6.729 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.473 10.398 -7.911 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -6.269 9.436 -8.780 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.982 10.151 -8.071 1.00 0.00 C ATOM 0 H VAL A 69 -4.323 12.338 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.691 12.049 -9.301 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.743 10.215 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.999 8.410 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.335 9.584 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.045 9.624 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.759 9.110 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.686 10.365 -9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.431 10.801 -7.392 1.00 0.00 H new ATOM 1109 N GLN A 70 -8.171 11.957 -8.835 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.601 12.024 -8.583 1.00 0.00 C ATOM 1111 C GLN A 70 -10.228 10.657 -8.822 1.00 0.00 C ATOM 1112 O GLN A 70 -10.740 10.023 -7.903 1.00 0.00 O ATOM 1113 CB GLN A 70 -10.266 13.061 -9.491 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.774 13.140 -9.315 1.00 0.00 C ATOM 1115 CD GLN A 70 -12.458 13.873 -10.449 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.642 15.087 -10.404 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -12.851 13.131 -11.472 1.00 0.00 N ATOM 0 H GLN A 70 -7.923 11.778 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.755 12.323 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.832 14.041 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.041 12.821 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.180 12.131 -9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.000 13.643 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.678 12.126 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.327 13.564 -12.263 1.00 0.00 H new ATOM 1126 N THR A 71 -10.158 10.198 -10.062 1.00 0.00 N ATOM 1127 CA THR A 71 -10.764 8.935 -10.444 1.00 0.00 C ATOM 1128 C THR A 71 -9.706 7.966 -10.964 1.00 0.00 C ATOM 1129 O THR A 71 -9.198 8.122 -12.076 1.00 0.00 O ATOM 1130 CB THR A 71 -11.840 9.153 -11.524 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.708 10.226 -11.129 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.660 7.889 -11.738 1.00 0.00 C ATOM 0 H THR A 71 -9.685 10.685 -10.823 1.00 0.00 H new ATOM 0 HA THR A 71 -11.233 8.507 -9.558 1.00 0.00 H new ATOM 0 HB THR A 71 -11.342 9.405 -12.460 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.391 10.365 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.413 8.069 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.004 7.079 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.152 7.612 -10.805 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.367 6.983 -10.147 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.369 5.990 -10.513 1.00 0.00 C ATOM 1142 C LEU A 72 -9.030 4.640 -10.770 1.00 0.00 C ATOM 1143 O LEU A 72 -9.407 3.942 -9.840 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.326 5.869 -9.397 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.280 4.769 -9.586 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.556 4.939 -10.909 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.289 4.779 -8.431 1.00 0.00 C ATOM 0 H LEU A 72 -9.771 6.850 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.873 6.308 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.809 6.824 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.846 5.693 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.791 3.806 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.816 4.146 -11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.275 4.886 -11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.056 5.907 -10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.550 3.991 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.786 5.745 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.820 4.608 -7.495 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.153 4.268 -12.030 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.834 3.033 -12.388 1.00 0.00 C ATOM 1161 C LYS A 73 -8.847 1.875 -12.425 1.00 0.00 C ATOM 1162 O LYS A 73 -7.866 1.903 -13.170 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.515 3.174 -13.751 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.384 1.982 -14.116 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.780 2.007 -15.581 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.733 0.872 -15.921 1.00 0.00 C ATOM 1167 NZ LYS A 73 -12.916 0.723 -17.387 1.00 0.00 N ATOM 0 H LYS A 73 -8.792 4.800 -12.822 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.593 2.830 -11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.128 4.075 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.752 3.307 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.846 1.059 -13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.281 1.981 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.251 2.962 -15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.887 1.932 -16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.350 -0.060 -15.506 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.699 1.056 -15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.794 0.198 -17.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.974 1.664 -17.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.109 0.203 -17.787 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.106 0.866 -11.608 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.253 -0.307 -11.552 1.00 0.00 C ATOM 1183 C ILE A 74 -8.865 -1.448 -12.358 1.00 0.00 C ATOM 1184 O ILE A 74 -9.873 -2.036 -11.957 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.041 -0.775 -10.097 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.585 0.396 -9.221 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.023 -1.909 -10.045 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.645 0.100 -7.739 1.00 0.00 C ATOM 0 H ILE A 74 -9.904 0.838 -10.973 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.288 -0.031 -11.978 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.990 -1.146 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.563 0.663 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.208 1.264 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.885 -2.227 -9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.384 -2.749 -10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.071 -1.562 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.308 0.973 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.671 -0.138 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.000 -0.748 -7.511 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.269 -1.740 -13.502 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.718 -2.843 -14.337 1.00 0.00 C ATOM 1202 C GLU A 75 -7.896 -4.092 -14.051 1.00 0.00 C ATOM 1203 O GLU A 75 -6.668 -4.034 -13.947 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.631 -2.463 -15.814 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.947 -1.953 -16.383 1.00 0.00 C ATOM 1206 CD GLU A 75 -9.787 -1.284 -17.733 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -8.848 -1.639 -18.468 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.616 -0.411 -18.066 1.00 0.00 O ATOM 0 H GLU A 75 -7.470 -1.227 -13.875 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.760 -3.058 -14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.867 -1.696 -15.940 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.308 -3.332 -16.387 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.644 -2.786 -16.477 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.389 -1.245 -15.683 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.585 -5.215 -13.912 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.949 -6.462 -13.512 1.00 0.00 C ATOM 1217 C LYS A 76 -7.842 -7.435 -14.681 1.00 0.00 C ATOM 1218 O LYS A 76 -8.819 -7.674 -15.394 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.750 -7.120 -12.384 1.00 0.00 C ATOM 1220 CG LYS A 76 -8.106 -8.385 -11.834 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.144 -9.429 -11.448 1.00 0.00 C ATOM 1222 CE LYS A 76 -10.099 -8.923 -10.379 1.00 0.00 C ATOM 1223 NZ LYS A 76 -11.201 -9.890 -10.131 1.00 0.00 N ATOM 0 H LYS A 76 -9.590 -5.288 -14.071 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.943 -6.223 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.874 -6.403 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.748 -7.361 -12.751 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.431 -8.803 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.501 -8.135 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.712 -9.718 -12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.639 -10.325 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.551 -8.749 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.517 -7.965 -10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.930 -9.441 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.619 -10.180 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.825 -10.726 -9.640 1.00 0.00 H new ATOM 1237 N SER A 77 -6.654 -7.986 -14.868 1.00 0.00 N ATOM 1238 CA SER A 77 -6.449 -9.070 -15.810 1.00 0.00 C ATOM 1239 C SER A 77 -5.667 -10.193 -15.143 1.00 0.00 C ATOM 1240 O SER A 77 -4.638 -9.955 -14.509 1.00 0.00 O ATOM 1241 CB SER A 77 -5.710 -8.577 -17.054 1.00 0.00 C ATOM 1242 OG SER A 77 -6.495 -7.651 -17.778 1.00 0.00 O ATOM 0 H SER A 77 -5.810 -7.696 -14.374 1.00 0.00 H new ATOM 0 HA SER A 77 -7.423 -9.448 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.769 -8.111 -16.761 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.460 -9.425 -17.692 1.00 0.00 H new ATOM 0 HG SER A 77 -6.094 -6.759 -17.710 1.00 0.00 H new ATOM 1248 N THR A 78 -6.170 -11.410 -15.263 1.00 0.00 N ATOM 1249 CA THR A 78 -5.494 -12.571 -14.707 1.00 0.00 C ATOM 1250 C THR A 78 -5.099 -13.525 -15.834 1.00 0.00 C ATOM 1251 O THR A 78 -4.969 -14.735 -15.640 1.00 0.00 O ATOM 1252 CB THR A 78 -6.398 -13.303 -13.697 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.209 -12.353 -12.985 1.00 0.00 O ATOM 1254 CG2 THR A 78 -5.568 -14.094 -12.696 1.00 0.00 C ATOM 0 H THR A 78 -7.046 -11.620 -15.741 1.00 0.00 H new ATOM 0 HA THR A 78 -4.600 -12.232 -14.184 1.00 0.00 H new ATOM 0 HB THR A 78 -7.033 -13.992 -14.253 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.993 -12.389 -12.030 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.230 -14.601 -11.994 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.966 -14.833 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.912 -13.415 -12.150 1.00 0.00 H new ATOM 1262 N SER A 79 -4.893 -12.958 -17.013 1.00 0.00 N ATOM 1263 CA SER A 79 -4.553 -13.736 -18.190 1.00 0.00 C ATOM 1264 C SER A 79 -3.036 -13.780 -18.373 1.00 0.00 C ATOM 1265 O SER A 79 -2.287 -13.232 -17.560 1.00 0.00 O ATOM 1266 CB SER A 79 -5.231 -13.128 -19.425 1.00 0.00 C ATOM 1267 OG SER A 79 -5.068 -13.952 -20.570 1.00 0.00 O ATOM 0 H SER A 79 -4.957 -11.954 -17.178 1.00 0.00 H new ATOM 0 HA SER A 79 -4.911 -14.758 -18.062 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.293 -12.988 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.811 -12.142 -19.623 1.00 0.00 H new ATOM 0 HG SER A 79 -5.513 -13.537 -21.338 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.592 -14.443 -19.437 1.00 0.00 N ATOM 1274 CA LYS A 80 -1.171 -14.533 -19.760 1.00 0.00 C ATOM 1275 C LYS A 80 -0.699 -13.228 -20.393 1.00 0.00 C ATOM 1276 O LYS A 80 0.482 -12.878 -20.347 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.921 -15.707 -20.717 1.00 0.00 C ATOM 1278 CG LYS A 80 -1.590 -15.546 -22.078 1.00 0.00 C ATOM 1279 CD LYS A 80 -1.442 -16.797 -22.928 1.00 0.00 C ATOM 1280 CE LYS A 80 -1.977 -16.596 -24.342 1.00 0.00 C ATOM 1281 NZ LYS A 80 -3.366 -16.065 -24.354 1.00 0.00 N ATOM 0 H LYS A 80 -3.201 -14.929 -20.095 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.608 -14.704 -18.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.153 -15.823 -20.862 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.281 -16.625 -20.252 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.648 -15.323 -21.939 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.151 -14.696 -22.601 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.391 -17.080 -22.975 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.973 -17.622 -22.454 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.324 -15.909 -24.880 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.950 -17.546 -24.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.860 -16.403 -25.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.871 -16.394 -23.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.340 -15.025 -24.359 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.643 -12.522 -20.990 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.377 -11.254 -21.644 1.00 0.00 C ATOM 1297 C GLU A 81 -2.188 -10.161 -20.970 1.00 0.00 C ATOM 1298 O GLU A 81 -3.186 -10.454 -20.307 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.762 -11.349 -23.121 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.072 -12.486 -23.854 1.00 0.00 C ATOM 1301 CD GLU A 81 -1.855 -12.949 -25.061 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -2.965 -13.489 -24.873 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -1.362 -12.800 -26.196 1.00 0.00 O ATOM 0 H GLU A 81 -2.619 -12.814 -21.035 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.316 -11.017 -21.566 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.841 -11.479 -23.199 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.517 -10.408 -23.614 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.080 -12.163 -24.169 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.932 -13.324 -23.171 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.777 -8.893 -21.104 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.574 -7.767 -20.625 1.00 0.00 C ATOM 1312 C PRO A 82 -3.807 -7.548 -21.501 1.00 0.00 C ATOM 1313 O PRO A 82 -3.879 -6.592 -22.275 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.617 -6.578 -20.711 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.621 -6.957 -21.752 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.506 -8.458 -21.710 1.00 0.00 C ATOM 0 HA PRO A 82 -2.958 -7.925 -19.617 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.146 -5.665 -20.985 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.134 -6.391 -19.752 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.943 -6.620 -22.737 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.343 -6.489 -21.555 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.375 -8.877 -22.708 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.350 -8.777 -21.115 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.751 -8.477 -21.399 1.00 0.00 N ATOM 1325 CA VAL A 83 -6.000 -8.419 -22.147 1.00 0.00 C ATOM 1326 C VAL A 83 -7.153 -8.841 -21.247 1.00 0.00 C ATOM 1327 O VAL A 83 -6.930 -9.506 -20.232 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.974 -9.334 -23.397 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.949 -8.846 -24.411 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.693 -10.779 -23.005 1.00 0.00 C ATOM 0 H VAL A 83 -4.671 -9.294 -20.793 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.132 -7.391 -22.484 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.958 -9.290 -23.863 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.952 -9.507 -25.278 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.202 -7.833 -24.725 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.958 -8.848 -23.957 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.680 -11.402 -23.899 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.726 -10.839 -22.506 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.472 -11.131 -22.329 1.00 0.00 H new ATOM 1340 N ASP A 84 -8.373 -8.456 -21.625 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.572 -8.757 -20.840 1.00 0.00 C ATOM 1342 C ASP A 84 -9.478 -8.105 -19.464 1.00 0.00 C ATOM 1343 O ASP A 84 -9.010 -8.710 -18.498 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.784 -10.276 -20.713 1.00 0.00 C ATOM 1345 CG ASP A 84 -11.073 -10.640 -19.997 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -12.153 -10.501 -20.605 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -11.016 -11.076 -18.826 1.00 0.00 O ATOM 0 H ASP A 84 -8.558 -7.930 -22.479 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.436 -8.345 -21.362 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.790 -10.720 -21.708 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.941 -10.711 -20.175 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.890 -6.850 -19.392 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.796 -6.084 -18.165 1.00 0.00 C ATOM 1354 C PHE A 85 -11.172 -5.881 -17.556 1.00 0.00 C ATOM 1355 O PHE A 85 -11.997 -5.146 -18.105 1.00 0.00 O ATOM 1356 CB PHE A 85 -9.174 -4.717 -18.436 1.00 0.00 C ATOM 1357 CG PHE A 85 -7.761 -4.751 -18.940 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -7.495 -4.891 -20.291 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.697 -4.627 -18.061 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -6.195 -4.910 -20.757 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -5.395 -4.643 -18.520 1.00 0.00 C ATOM 1362 CZ PHE A 85 -5.144 -4.785 -19.870 1.00 0.00 C ATOM 0 H PHE A 85 -10.295 -6.339 -20.176 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.168 -6.642 -17.471 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.791 -4.192 -19.165 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.202 -4.133 -17.516 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.314 -4.987 -20.989 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.889 -4.516 -17.004 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.001 -5.022 -21.813 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.575 -4.545 -17.824 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.127 -4.798 -20.232 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.432 -6.529 -16.438 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.674 -6.295 -15.728 1.00 0.00 C ATOM 1374 C GLU A 86 -12.510 -5.080 -14.828 1.00 0.00 C ATOM 1375 O GLU A 86 -11.434 -4.860 -14.265 1.00 0.00 O ATOM 1376 CB GLU A 86 -13.087 -7.511 -14.889 1.00 0.00 C ATOM 1377 CG GLU A 86 -12.179 -7.770 -13.699 1.00 0.00 C ATOM 1378 CD GLU A 86 -12.794 -8.708 -12.685 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -13.755 -8.300 -11.995 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -12.315 -9.851 -12.558 1.00 0.00 O ATOM 0 H GLU A 86 -10.810 -7.212 -16.006 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.460 -6.119 -16.462 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.106 -7.365 -14.532 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.096 -8.395 -15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.237 -8.190 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.944 -6.822 -13.214 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.552 -4.273 -14.722 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.536 -3.158 -13.793 1.00 0.00 C ATOM 1389 C GLN A 87 -13.671 -3.686 -12.368 1.00 0.00 C ATOM 1390 O GLN A 87 -14.767 -3.992 -11.897 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.634 -2.140 -14.131 1.00 0.00 C ATOM 1392 CG GLN A 87 -16.023 -2.741 -14.278 1.00 0.00 C ATOM 1393 CD GLN A 87 -17.064 -1.706 -14.645 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -17.322 -1.457 -15.823 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -17.663 -1.091 -13.639 1.00 0.00 N ATOM 0 H GLN A 87 -14.412 -4.368 -15.263 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.585 -2.632 -13.879 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.661 -1.380 -13.350 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.370 -1.634 -15.060 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.001 -3.517 -15.043 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.308 -3.223 -13.343 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.418 -1.329 -12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.370 -0.379 -13.824 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.535 -3.842 -11.709 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.499 -4.411 -10.374 1.00 0.00 C ATOM 1406 C TRP A 88 -12.936 -3.372 -9.351 1.00 0.00 C ATOM 1407 O TRP A 88 -13.995 -3.501 -8.737 1.00 0.00 O ATOM 1408 CB TRP A 88 -11.085 -4.926 -10.068 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.962 -5.663 -8.766 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.964 -6.261 -8.057 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.756 -5.892 -8.027 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -11.456 -6.841 -6.920 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -10.102 -6.630 -6.881 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.417 -5.545 -8.227 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -9.159 -7.022 -5.935 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.481 -5.936 -7.288 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.856 -6.670 -6.156 1.00 0.00 C ATOM 0 H TRP A 88 -11.621 -3.581 -12.080 1.00 0.00 H new ATOM 0 HA TRP A 88 -13.191 -5.251 -10.319 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.769 -5.586 -10.876 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.397 -4.080 -10.059 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -13.004 -6.276 -8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.998 -7.346 -6.219 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.119 -4.982 -9.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.446 -7.584 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.444 -5.671 -7.430 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.101 -6.964 -5.443 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.124 -2.339 -9.190 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.421 -1.270 -8.251 1.00 0.00 C ATOM 1430 C ILE A 89 -11.935 0.070 -8.782 1.00 0.00 C ATOM 1431 O ILE A 89 -10.741 0.279 -8.980 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.798 -1.530 -6.856 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.377 -2.090 -6.990 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.677 -2.471 -6.042 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.702 -2.361 -5.661 1.00 0.00 C ATOM 0 H ILE A 89 -11.249 -2.219 -9.701 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.505 -1.244 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.737 -0.579 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.413 -3.016 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.770 -1.385 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.222 -2.641 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.663 -2.025 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.776 -3.421 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.701 -2.755 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.633 -1.434 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.286 -3.089 -5.098 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.869 0.965 -9.049 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.521 2.326 -9.410 1.00 0.00 C ATOM 1449 C GLU A 90 -12.482 3.171 -8.145 1.00 0.00 C ATOM 1450 O GLU A 90 -13.477 3.290 -7.433 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.499 2.916 -10.445 1.00 0.00 C ATOM 1452 CG GLU A 90 -14.962 2.946 -10.013 1.00 0.00 C ATOM 1453 CD GLU A 90 -15.619 1.580 -10.018 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.566 0.885 -8.982 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -16.199 1.199 -11.058 1.00 0.00 O ATOM 0 H GLU A 90 -13.871 0.774 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.539 2.326 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.185 3.933 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.420 2.338 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.029 3.369 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.516 3.610 -10.677 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.333 3.735 -7.850 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.149 4.433 -6.600 1.00 0.00 C ATOM 1464 C LYS A 91 -11.278 5.930 -6.773 1.00 0.00 C ATOM 1465 O LYS A 91 -10.588 6.545 -7.593 1.00 0.00 O ATOM 1466 CB LYS A 91 -9.804 4.075 -5.976 1.00 0.00 C ATOM 1467 CG LYS A 91 -9.945 3.258 -4.707 1.00 0.00 C ATOM 1468 CD LYS A 91 -10.714 4.029 -3.649 1.00 0.00 C ATOM 1469 CE LYS A 91 -10.985 3.187 -2.418 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.605 3.993 -1.335 1.00 0.00 N ATOM 0 H LYS A 91 -10.514 3.724 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.941 4.112 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.210 3.515 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.256 4.991 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.460 2.323 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.958 2.997 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.148 4.916 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.659 4.374 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.644 2.359 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.052 2.751 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.731 3.400 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.988 4.798 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.531 4.346 -1.651 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.193 6.493 -6.012 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.410 7.920 -5.980 1.00 0.00 C ATOM 1486 C ASP A 92 -11.622 8.536 -4.832 1.00 0.00 C ATOM 1487 O ASP A 92 -11.788 8.161 -3.671 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.908 8.226 -5.844 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.556 7.523 -4.664 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.606 6.269 -4.661 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -15.028 8.213 -3.739 1.00 0.00 O ATOM 0 H ASP A 92 -12.811 5.967 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.059 8.358 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.044 9.302 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.418 7.929 -6.761 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.739 9.457 -5.170 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.906 10.120 -4.184 1.00 0.00 C ATOM 1498 C LEU A 93 -10.384 11.552 -3.987 1.00 0.00 C ATOM 1499 O LEU A 93 -10.867 12.185 -4.925 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.440 10.109 -4.638 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.429 10.659 -3.628 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -7.303 9.725 -2.435 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.074 10.868 -4.284 1.00 0.00 C ATOM 0 H LEU A 93 -10.579 9.765 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.981 9.586 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.162 9.084 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.359 10.688 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.792 11.624 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.580 10.133 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.272 9.626 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.966 8.745 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.370 11.259 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.706 9.917 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.173 11.578 -5.105 1.00 0.00 H new ATOM 1515 N VAL A 94 -10.282 12.047 -2.765 1.00 0.00 N ATOM 1516 CA VAL A 94 -10.637 13.422 -2.468 1.00 0.00 C ATOM 1517 C VAL A 94 -9.372 14.263 -2.331 1.00 0.00 C ATOM 1518 O VAL A 94 -8.351 13.779 -1.844 1.00 0.00 O ATOM 1519 CB VAL A 94 -11.481 13.520 -1.174 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -11.882 14.960 -0.886 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -12.715 12.635 -1.276 1.00 0.00 C ATOM 0 H VAL A 94 -9.954 11.513 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.241 13.802 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.866 13.170 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.474 14.997 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.987 15.570 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.473 15.346 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.297 12.715 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.324 12.956 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.409 11.599 -1.422 1.00 0.00 H new ATOM 1531 N HIS A 95 -9.437 15.509 -2.783 1.00 0.00 N ATOM 1532 CA HIS A 95 -8.289 16.405 -2.739 1.00 0.00 C ATOM 1533 C HIS A 95 -7.926 16.746 -1.294 1.00 0.00 C ATOM 1534 O HIS A 95 -8.604 17.539 -0.642 1.00 0.00 O ATOM 1535 CB HIS A 95 -8.590 17.683 -3.532 1.00 0.00 C ATOM 1536 CG HIS A 95 -7.419 18.610 -3.687 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -7.533 19.864 -4.238 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -6.109 18.456 -3.374 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -6.348 20.444 -4.262 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -5.462 19.611 -3.742 1.00 0.00 N ATOM 0 H HIS A 95 -10.277 15.923 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.436 15.901 -3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.950 17.405 -4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -9.399 18.220 -3.038 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.658 17.587 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.137 21.433 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.465 19.795 -3.632 1.00 0.00 H new ATOM 1548 N THR A 96 -6.866 16.127 -0.801 1.00 0.00 N ATOM 1549 CA THR A 96 -6.395 16.368 0.551 1.00 0.00 C ATOM 1550 C THR A 96 -5.192 17.307 0.554 1.00 0.00 C ATOM 1551 O THR A 96 -4.199 17.066 -0.136 1.00 0.00 O ATOM 1552 CB THR A 96 -6.022 15.039 1.233 1.00 0.00 C ATOM 1553 OG1 THR A 96 -5.092 14.314 0.419 1.00 0.00 O ATOM 1554 CG2 THR A 96 -7.262 14.190 1.462 1.00 0.00 C ATOM 0 H THR A 96 -6.312 15.448 -1.323 1.00 0.00 H new ATOM 0 HA THR A 96 -7.203 16.842 1.108 1.00 0.00 H new ATOM 0 HB THR A 96 -5.564 15.264 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.251 14.198 0.908 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.979 13.255 1.945 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.960 14.731 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.737 13.975 0.505 1.00 0.00 H new ATOM 1562 N GLU A 97 -5.293 18.396 1.304 1.00 0.00 N ATOM 1563 CA GLU A 97 -4.186 19.334 1.432 1.00 0.00 C ATOM 1564 C GLU A 97 -3.497 19.170 2.785 1.00 0.00 C ATOM 1565 O GLU A 97 -4.143 19.206 3.831 1.00 0.00 O ATOM 1566 CB GLU A 97 -4.654 20.780 1.193 1.00 0.00 C ATOM 1567 CG GLU A 97 -6.028 21.126 1.763 1.00 0.00 C ATOM 1568 CD GLU A 97 -6.031 21.341 3.264 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -5.264 22.199 3.748 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -6.820 20.675 3.964 1.00 0.00 O ATOM 0 H GLU A 97 -6.128 18.651 1.832 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.450 19.108 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.919 21.458 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.667 20.967 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.397 22.028 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.725 20.324 1.519 1.00 0.00 H new ATOM 1577 N GLY A 98 -2.191 18.931 2.757 1.00 0.00 N ATOM 1578 CA GLY A 98 -1.450 18.713 3.987 1.00 0.00 C ATOM 1579 C GLY A 98 -1.605 17.294 4.500 1.00 0.00 C ATOM 1580 O GLY A 98 -0.758 16.786 5.237 1.00 0.00 O ATOM 0 H GLY A 98 -1.631 18.884 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.394 18.923 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.796 19.413 4.747 1.00 0.00 H new ATOM 1584 N GLN A 99 -2.700 16.659 4.112 1.00 0.00 N ATOM 1585 CA GLN A 99 -2.969 15.282 4.478 1.00 0.00 C ATOM 1586 C GLN A 99 -2.525 14.345 3.363 1.00 0.00 C ATOM 1587 O GLN A 99 -3.103 14.342 2.276 1.00 0.00 O ATOM 1588 CB GLN A 99 -4.463 15.096 4.765 1.00 0.00 C ATOM 1589 CG GLN A 99 -4.861 13.655 5.044 1.00 0.00 C ATOM 1590 CD GLN A 99 -6.335 13.502 5.365 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -7.170 14.265 4.882 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -6.663 12.514 6.183 1.00 0.00 N ATOM 0 H GLN A 99 -3.425 17.085 3.535 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.406 15.041 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.738 15.711 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.035 15.462 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.618 13.042 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.271 13.275 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.939 11.904 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.640 12.363 6.435 1.00 0.00 H new ATOM 1601 N LEU A 100 -1.484 13.576 3.625 1.00 0.00 N ATOM 1602 CA LEU A 100 -1.022 12.583 2.675 1.00 0.00 C ATOM 1603 C LEU A 100 -1.870 11.326 2.832 1.00 0.00 C ATOM 1604 O LEU A 100 -1.771 10.617 3.836 1.00 0.00 O ATOM 1605 CB LEU A 100 0.462 12.275 2.907 1.00 0.00 C ATOM 1606 CG LEU A 100 1.253 11.827 1.674 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.714 11.617 2.029 1.00 0.00 C ATOM 1608 CD2 LEU A 100 0.669 10.558 1.076 1.00 0.00 C ATOM 0 H LEU A 100 -0.943 13.621 4.488 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.126 12.963 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.938 13.166 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.537 11.496 3.666 1.00 0.00 H new ATOM 0 HG LEU A 100 1.181 12.617 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.262 11.299 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.136 12.551 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.795 10.850 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.252 10.266 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.700 9.759 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.364 10.738 0.779 1.00 0.00 H new ATOM 1620 N GLN A 101 -2.712 11.062 1.849 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.656 9.964 1.938 1.00 0.00 C ATOM 1622 C GLN A 101 -3.030 8.649 1.486 1.00 0.00 C ATOM 1623 O GLN A 101 -2.969 8.346 0.295 1.00 0.00 O ATOM 1624 CB GLN A 101 -4.913 10.275 1.115 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.982 9.189 1.171 1.00 0.00 C ATOM 1626 CD GLN A 101 -6.451 8.885 2.584 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -6.445 9.750 3.460 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -6.873 7.651 2.811 1.00 0.00 N ATOM 0 H GLN A 101 -2.761 11.593 0.980 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.939 9.850 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -5.343 11.211 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.624 10.431 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.837 9.498 0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.589 8.277 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.863 6.962 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.209 7.389 3.738 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.525 7.894 2.451 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.124 6.515 2.213 1.00 0.00 C ATOM 1639 C ASN A 102 -3.332 5.620 2.409 1.00 0.00 C ATOM 1640 O ASN A 102 -3.676 5.269 3.538 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.003 6.076 3.164 1.00 0.00 C ATOM 1642 CG ASN A 102 0.384 6.413 2.655 1.00 0.00 C ATOM 1643 OD1 ASN A 102 0.595 7.423 1.989 1.00 0.00 O ATOM 1644 ND2 ASN A 102 1.343 5.555 2.966 1.00 0.00 N ATOM 0 H ASN A 102 -2.383 8.214 3.409 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.743 6.436 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.152 6.552 4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.072 5.000 3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.298 5.722 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.126 4.727 3.522 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.987 5.268 1.321 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.250 4.562 1.417 1.00 0.00 C ATOM 1653 C GLU A 103 -5.049 3.053 1.382 1.00 0.00 C ATOM 1654 O GLU A 103 -4.554 2.497 0.401 1.00 0.00 O ATOM 1655 CB GLU A 103 -6.203 5.001 0.304 1.00 0.00 C ATOM 1656 CG GLU A 103 -7.598 4.410 0.438 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.565 4.941 -0.599 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.306 4.765 -1.800 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -9.607 5.514 -0.211 1.00 0.00 O ATOM 0 H GLU A 103 -3.671 5.456 0.370 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.697 4.817 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.275 6.089 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.784 4.710 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.538 3.325 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.985 4.627 1.433 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.408 2.417 2.488 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.419 0.966 2.590 1.00 0.00 C ATOM 1668 C GLU A 104 -6.689 0.420 1.943 1.00 0.00 C ATOM 1669 O GLU A 104 -7.759 0.423 2.553 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.374 0.539 4.061 1.00 0.00 C ATOM 1671 CG GLU A 104 -4.206 1.116 4.848 1.00 0.00 C ATOM 1672 CD GLU A 104 -2.867 0.548 4.427 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -2.603 -0.635 4.720 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -2.064 1.287 3.827 1.00 0.00 O ATOM 0 H GLU A 104 -5.700 2.894 3.341 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.543 0.568 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.305 0.840 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.327 -0.549 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.190 2.199 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.359 0.921 5.909 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.573 -0.027 0.707 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.726 -0.485 -0.050 1.00 0.00 C ATOM 1683 C ILE A 105 -7.945 -1.976 0.158 1.00 0.00 C ATOM 1684 O ILE A 105 -7.292 -2.801 -0.470 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.552 -0.193 -1.557 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.350 1.308 -1.783 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.750 -0.701 -2.352 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.074 1.676 -3.223 1.00 0.00 C ATOM 0 H ILE A 105 -5.688 -0.083 0.203 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.598 0.059 0.314 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.667 -0.722 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.240 1.840 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.520 1.651 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.603 -0.483 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.849 -1.778 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.656 -0.206 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.942 2.755 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.167 1.173 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.913 1.365 -3.845 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.850 -2.318 1.055 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.141 -3.716 1.324 1.00 0.00 C ATOM 1702 C VAL A 106 -9.920 -4.323 0.163 1.00 0.00 C ATOM 1703 O VAL A 106 -11.129 -4.126 0.035 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.930 -3.898 2.635 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -10.051 -5.373 2.982 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -9.268 -3.129 3.770 1.00 0.00 C ATOM 0 H VAL A 106 -9.393 -1.654 1.607 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.188 -4.232 1.435 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.933 -3.496 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.611 -5.484 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.573 -5.894 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.056 -5.801 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.840 -3.270 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.252 -3.497 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.237 -2.068 3.521 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.212 -5.055 -0.680 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.798 -5.631 -1.879 1.00 0.00 C ATOM 1718 C ALA A 107 -9.295 -7.050 -2.085 1.00 0.00 C ATOM 1719 O ALA A 107 -8.103 -7.271 -2.282 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.476 -4.770 -3.088 1.00 0.00 C ATOM 0 H ALA A 107 -8.222 -5.266 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.881 -5.665 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.921 -5.213 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.881 -3.769 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.395 -4.709 -3.214 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.207 -8.006 -2.049 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.836 -9.412 -2.124 1.00 0.00 C ATOM 1728 C HIS A 108 -10.020 -9.936 -3.540 1.00 0.00 C ATOM 1729 O HIS A 108 -11.142 -10.025 -4.038 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.678 -10.249 -1.154 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.587 -9.815 0.281 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -9.934 -10.539 1.255 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -11.104 -8.733 0.909 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -10.056 -9.922 2.416 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -10.762 -8.822 2.237 1.00 0.00 N ATOM 0 H HIS A 108 -11.210 -7.836 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.786 -9.497 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.721 -10.207 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.365 -11.291 -1.226 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -11.680 -7.943 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.646 -10.261 3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.012 -8.150 2.963 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.915 -10.267 -4.189 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.974 -10.799 -5.533 1.00 0.00 C ATOM 1745 C GLY A 109 -7.653 -11.396 -5.970 1.00 0.00 C ATOM 1746 O GLY A 109 -6.718 -11.502 -5.179 1.00 0.00 O ATOM 0 H GLY A 109 -7.974 -10.176 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.751 -11.562 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.258 -10.005 -6.224 1.00 0.00 H new ATOM 1750 N SER A 110 -7.576 -11.799 -7.223 1.00 0.00 N ATOM 1751 CA SER A 110 -6.346 -12.333 -7.781 1.00 0.00 C ATOM 1752 C SER A 110 -6.125 -11.750 -9.171 1.00 0.00 C ATOM 1753 O SER A 110 -7.079 -11.589 -9.932 1.00 0.00 O ATOM 1754 CB SER A 110 -6.415 -13.860 -7.837 1.00 0.00 C ATOM 1755 OG SER A 110 -6.720 -14.398 -6.559 1.00 0.00 O ATOM 0 H SER A 110 -8.356 -11.767 -7.879 1.00 0.00 H new ATOM 0 HA SER A 110 -5.506 -12.054 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.173 -14.168 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.463 -14.259 -8.187 1.00 0.00 H new ATOM 0 HG SER A 110 -6.761 -15.375 -6.617 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.885 -11.412 -9.492 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.580 -10.800 -10.775 1.00 0.00 C ATOM 1763 C ALA A 111 -3.118 -10.983 -11.140 1.00 0.00 C ATOM 1764 O ALA A 111 -2.269 -11.177 -10.269 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.927 -9.320 -10.750 1.00 0.00 C ATOM 0 H ALA A 111 -4.078 -11.551 -8.884 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.185 -11.297 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.693 -8.875 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.990 -9.199 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.347 -8.823 -9.972 1.00 0.00 H new ATOM 1771 N THR A 112 -2.839 -10.926 -12.431 1.00 0.00 N ATOM 1772 CA THR A 112 -1.478 -10.975 -12.929 1.00 0.00 C ATOM 1773 C THR A 112 -1.077 -9.613 -13.493 1.00 0.00 C ATOM 1774 O THR A 112 0.080 -9.196 -13.389 1.00 0.00 O ATOM 1775 CB THR A 112 -1.332 -12.057 -14.016 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.468 -12.019 -14.892 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.210 -13.441 -13.394 1.00 0.00 C ATOM 0 H THR A 112 -3.548 -10.845 -13.160 1.00 0.00 H new ATOM 0 HA THR A 112 -0.818 -11.228 -12.099 1.00 0.00 H new ATOM 0 HB THR A 112 -0.424 -11.854 -14.583 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.250 -12.476 -15.731 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.108 -14.187 -14.183 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.333 -13.474 -12.748 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.102 -13.655 -12.805 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.052 -8.923 -14.075 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.845 -7.597 -14.640 1.00 0.00 C ATOM 1787 C TYR A 113 -2.872 -6.621 -14.076 1.00 0.00 C ATOM 1788 O TYR A 113 -4.073 -6.893 -14.099 1.00 0.00 O ATOM 1789 CB TYR A 113 -1.976 -7.631 -16.168 1.00 0.00 C ATOM 1790 CG TYR A 113 -0.951 -8.497 -16.871 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.158 -9.862 -17.033 1.00 0.00 C ATOM 1792 CD2 TYR A 113 0.217 -7.948 -17.380 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.228 -10.654 -17.679 1.00 0.00 C ATOM 1794 CE2 TYR A 113 1.153 -8.734 -18.029 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.925 -10.085 -18.176 1.00 0.00 C ATOM 1796 OH TYR A 113 1.854 -10.870 -18.816 1.00 0.00 O ATOM 0 H TYR A 113 -3.007 -9.268 -14.168 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.840 -7.270 -14.374 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.973 -7.989 -16.426 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -1.895 -6.613 -16.549 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -2.061 -10.311 -16.647 1.00 0.00 H new ATOM 0 HD2 TYR A 113 0.399 -6.889 -17.268 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.404 -11.713 -17.794 1.00 0.00 H new ATOM 0 HE2 TYR A 113 2.058 -8.291 -18.418 1.00 0.00 H new ATOM 0 HH TYR A 113 1.395 -11.559 -19.340 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.400 -5.495 -13.562 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.289 -4.433 -13.107 1.00 0.00 C ATOM 1808 C LEU A 114 -3.104 -3.192 -13.964 1.00 0.00 C ATOM 1809 O LEU A 114 -1.985 -2.693 -14.111 1.00 0.00 O ATOM 1810 CB LEU A 114 -3.030 -4.086 -11.638 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.446 -5.152 -10.622 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.164 -4.671 -9.208 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.920 -5.496 -10.782 1.00 0.00 C ATOM 0 H LEU A 114 -1.407 -5.292 -13.449 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.314 -4.791 -13.202 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.966 -3.887 -11.513 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.557 -3.161 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.861 -6.053 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.465 -5.439 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.098 -4.471 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.726 -3.757 -9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.198 -6.256 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.522 -4.601 -10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.097 -5.878 -11.787 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.192 -2.693 -14.528 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.126 -1.508 -15.366 1.00 0.00 C ATOM 1827 C ARG A 115 -4.711 -0.317 -14.623 1.00 0.00 C ATOM 1828 O ARG A 115 -5.928 -0.200 -14.478 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.881 -1.723 -16.683 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.250 -0.995 -17.862 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.225 -0.078 -18.584 1.00 0.00 C ATOM 1832 NE ARG A 115 -6.357 -0.795 -19.165 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.582 -0.908 -20.474 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -5.729 -0.400 -21.357 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -7.677 -1.517 -20.892 1.00 0.00 N ATOM 0 H ARG A 115 -5.126 -3.088 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.080 -1.312 -15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.920 -2.790 -16.902 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.910 -1.384 -16.564 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.402 -0.409 -17.508 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.859 -1.728 -18.567 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.596 0.671 -17.885 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.696 0.457 -19.373 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.019 -1.238 -18.528 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.890 0.083 -21.036 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.913 -0.493 -22.356 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.340 -1.895 -20.215 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.859 -1.609 -21.891 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.835 0.545 -14.128 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.260 1.750 -13.435 1.00 0.00 C ATOM 1851 C PHE A 116 -4.510 2.870 -14.434 1.00 0.00 C ATOM 1852 O PHE A 116 -3.580 3.355 -15.081 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.210 2.190 -12.411 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.224 1.406 -11.126 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -4.066 1.779 -10.091 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.387 0.315 -10.941 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -4.080 1.080 -8.900 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -2.395 -0.386 -9.748 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.244 -0.003 -8.726 1.00 0.00 C ATOM 0 H PHE A 116 -2.824 0.431 -14.194 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.187 1.528 -12.906 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.222 2.105 -12.863 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.365 3.244 -12.180 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.721 2.629 -10.217 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.723 0.010 -11.736 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.746 1.381 -8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.738 -1.233 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.252 -0.550 -7.795 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.769 3.257 -14.572 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.146 4.337 -15.472 1.00 0.00 C ATOM 1871 C ILE A 117 -6.620 5.544 -14.678 1.00 0.00 C ATOM 1872 O ILE A 117 -7.681 5.503 -14.055 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.281 3.915 -16.431 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.910 2.636 -17.182 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.588 5.040 -17.414 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.019 2.114 -18.071 1.00 0.00 C ATOM 0 H ILE A 117 -6.551 2.837 -14.069 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.260 4.586 -16.056 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.174 3.715 -15.839 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.026 2.825 -17.791 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.641 1.865 -16.460 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.390 4.729 -18.084 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.898 5.929 -16.864 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.696 5.267 -17.997 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.686 1.205 -18.573 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.898 1.893 -17.465 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.273 2.868 -18.816 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.843 6.613 -14.688 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.258 7.834 -14.022 1.00 0.00 C ATOM 1890 C ILE A 118 -7.152 8.634 -14.962 1.00 0.00 C ATOM 1891 O ILE A 118 -6.675 9.387 -15.811 1.00 0.00 O ATOM 1892 CB ILE A 118 -5.060 8.695 -13.563 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.083 7.854 -12.734 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.548 9.893 -12.757 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.838 8.603 -12.302 1.00 0.00 C ATOM 0 H ILE A 118 -4.932 6.661 -15.144 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.807 7.556 -13.122 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.536 9.061 -14.446 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.599 7.485 -11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.786 6.982 -13.316 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.693 10.491 -12.440 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.208 10.502 -13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.092 9.544 -11.879 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.198 7.940 -11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.297 8.949 -13.183 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.122 9.460 -11.692 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.454 8.427 -14.822 1.00 0.00 N ATOM 1908 CA VAL A 119 -9.433 9.025 -15.718 1.00 0.00 C ATOM 1909 C VAL A 119 -9.429 10.544 -15.596 1.00 0.00 C ATOM 1910 O VAL A 119 -9.525 11.262 -16.596 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.851 8.487 -15.428 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.862 9.048 -16.417 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.861 6.965 -15.462 1.00 0.00 C ATOM 0 H VAL A 119 -8.859 7.844 -14.090 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.153 8.751 -16.735 1.00 0.00 H new ATOM 0 HB VAL A 119 -11.138 8.815 -14.429 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.852 8.652 -16.189 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.880 10.135 -16.342 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.580 8.759 -17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.868 6.603 -15.256 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.547 6.621 -16.447 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.175 6.580 -14.707 1.00 0.00 H new ATOM 1923 N SER A 120 -9.317 11.030 -14.368 1.00 0.00 N ATOM 1924 CA SER A 120 -9.300 12.461 -14.110 1.00 0.00 C ATOM 1925 C SER A 120 -8.605 12.755 -12.788 1.00 0.00 C ATOM 1926 O SER A 120 -8.518 11.884 -11.914 1.00 0.00 O ATOM 1927 CB SER A 120 -10.728 13.019 -14.093 1.00 0.00 C ATOM 1928 OG SER A 120 -11.392 12.751 -15.316 1.00 0.00 O ATOM 0 H SER A 120 -9.236 10.451 -13.532 1.00 0.00 H new ATOM 0 HA SER A 120 -8.745 12.948 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.286 12.576 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.700 14.095 -13.918 1.00 0.00 H new ATOM 0 HG SER A 120 -12.301 13.115 -15.281 1.00 0.00 H new ATOM 1934 N ALA A 121 -8.111 13.976 -12.654 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.435 14.413 -11.444 1.00 0.00 C ATOM 1936 C ALA A 121 -7.908 15.809 -11.054 1.00 0.00 C ATOM 1937 O ALA A 121 -8.557 16.491 -11.847 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.928 14.395 -11.646 1.00 0.00 C ATOM 0 H ALA A 121 -8.168 14.690 -13.380 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.681 13.725 -10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.434 14.725 -10.732 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.605 13.382 -11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.662 15.065 -12.464 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.585 16.232 -9.840 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.986 17.551 -9.364 1.00 0.00 C ATOM 1946 C PHE A 122 -6.975 18.609 -9.782 1.00 0.00 C ATOM 1947 O PHE A 122 -7.251 19.807 -9.723 1.00 0.00 O ATOM 1948 CB PHE A 122 -8.139 17.564 -7.842 1.00 0.00 C ATOM 1949 CG PHE A 122 -9.312 16.772 -7.344 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -10.602 17.242 -7.520 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -9.124 15.568 -6.692 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -11.684 16.524 -7.055 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -10.203 14.844 -6.224 1.00 0.00 C ATOM 1954 CZ PHE A 122 -11.486 15.323 -6.406 1.00 0.00 C ATOM 0 H PHE A 122 -7.048 15.684 -9.168 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.950 17.782 -9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -7.228 17.169 -7.391 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.240 18.596 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.763 18.182 -8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -8.123 15.189 -6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -12.685 16.902 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.044 13.904 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 122 -12.332 14.759 -6.041 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.807 18.162 -10.209 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.744 19.073 -10.599 1.00 0.00 C ATOM 1966 C ASP A 123 -4.354 18.825 -12.051 1.00 0.00 C ATOM 1967 O ASP A 123 -4.808 17.855 -12.663 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.533 18.894 -9.677 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.575 20.066 -9.744 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -1.720 20.090 -10.651 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -2.690 20.978 -8.896 1.00 0.00 O ATOM 0 H ASP A 123 -5.570 17.174 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.100 20.099 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.877 18.768 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.004 17.981 -9.950 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.521 19.700 -12.600 1.00 0.00 N ATOM 1977 CA HIS A 124 -3.085 19.577 -13.986 1.00 0.00 C ATOM 1978 C HIS A 124 -1.924 18.593 -14.110 1.00 0.00 C ATOM 1979 O HIS A 124 -1.555 18.190 -15.212 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.722 20.952 -14.584 1.00 0.00 C ATOM 1981 CG HIS A 124 -1.519 21.653 -13.998 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -1.082 21.510 -12.694 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -0.675 22.550 -14.566 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -0.035 22.286 -12.492 1.00 0.00 C ATOM 1985 NE2 HIS A 124 0.234 22.929 -13.610 1.00 0.00 N ATOM 0 H HIS A 124 -3.133 20.504 -12.106 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.920 19.180 -14.563 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.553 20.824 -15.653 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -3.585 21.609 -14.474 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -1.504 20.898 -11.996 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.712 22.902 -15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 124 0.511 22.379 -11.565 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.363 18.206 -12.971 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.338 17.172 -12.928 1.00 0.00 C ATOM 1995 C PHE A 125 -0.617 16.221 -11.773 1.00 0.00 C ATOM 1996 O PHE A 125 -1.264 16.598 -10.797 1.00 0.00 O ATOM 1997 CB PHE A 125 1.063 17.776 -12.783 1.00 0.00 C ATOM 1998 CG PHE A 125 1.562 18.463 -14.025 1.00 0.00 C ATOM 1999 CD1 PHE A 125 1.768 17.744 -15.191 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.823 19.821 -14.027 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.225 18.370 -16.337 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.280 20.453 -15.169 1.00 0.00 C ATOM 2003 CZ PHE A 125 2.480 19.725 -16.325 1.00 0.00 C ATOM 0 H PHE A 125 -1.603 18.596 -12.060 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.369 16.624 -13.870 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.056 18.492 -11.961 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.762 16.986 -12.511 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.570 16.682 -15.206 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.668 20.395 -13.125 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.382 17.798 -17.240 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.480 21.514 -15.157 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.836 20.216 -17.219 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.143 14.988 -11.893 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.342 13.990 -10.854 1.00 0.00 C ATOM 2015 C ALA A 126 0.881 13.090 -10.738 1.00 0.00 C ATOM 2016 O ALA A 126 1.466 12.693 -11.750 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.588 13.161 -11.138 1.00 0.00 C ATOM 0 H ALA A 126 0.383 14.656 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.482 14.507 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.720 12.420 -10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.460 13.814 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.477 12.655 -12.097 1.00 0.00 H new ATOM 2023 N SER A 127 1.256 12.773 -9.508 1.00 0.00 N ATOM 2024 CA SER A 127 2.427 11.951 -9.251 1.00 0.00 C ATOM 2025 C SER A 127 2.081 10.829 -8.272 1.00 0.00 C ATOM 2026 O SER A 127 1.232 11.003 -7.394 1.00 0.00 O ATOM 2027 CB SER A 127 3.557 12.819 -8.688 1.00 0.00 C ATOM 2028 OG SER A 127 3.803 13.945 -9.518 1.00 0.00 O ATOM 0 H SER A 127 0.762 13.075 -8.668 1.00 0.00 H new ATOM 0 HA SER A 127 2.759 11.502 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.296 13.154 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.466 12.224 -8.599 1.00 0.00 H new ATOM 0 HG SER A 127 4.527 14.482 -9.134 1.00 0.00 H new ATOM 2034 N VAL A 128 2.729 9.682 -8.430 1.00 0.00 N ATOM 2035 CA VAL A 128 2.493 8.541 -7.553 1.00 0.00 C ATOM 2036 C VAL A 128 3.828 7.922 -7.144 1.00 0.00 C ATOM 2037 O VAL A 128 4.829 8.083 -7.845 1.00 0.00 O ATOM 2038 CB VAL A 128 1.598 7.475 -8.239 1.00 0.00 C ATOM 2039 CG1 VAL A 128 2.357 6.739 -9.333 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.027 6.495 -7.221 1.00 0.00 C ATOM 0 H VAL A 128 3.423 9.516 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 128 1.968 8.895 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 128 0.763 7.999 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.703 5.999 -9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.689 7.452 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.224 6.238 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.405 5.761 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.843 5.985 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.424 7.037 -6.492 1.00 0.00 H new ATOM 2050 N HIS A 129 3.859 7.242 -6.003 1.00 0.00 N ATOM 2051 CA HIS A 129 5.080 6.577 -5.572 1.00 0.00 C ATOM 2052 C HIS A 129 4.808 5.141 -5.162 1.00 0.00 C ATOM 2053 O HIS A 129 5.279 4.211 -5.795 1.00 0.00 O ATOM 2054 CB HIS A 129 5.749 7.319 -4.411 1.00 0.00 C ATOM 2055 CG HIS A 129 7.099 6.758 -4.061 1.00 0.00 C ATOM 2056 ND1 HIS A 129 7.286 5.731 -3.157 1.00 0.00 N ATOM 2057 CD2 HIS A 129 8.328 7.070 -4.525 1.00 0.00 C ATOM 2058 CE1 HIS A 129 8.572 5.440 -3.086 1.00 0.00 C ATOM 2059 NE2 HIS A 129 9.229 6.238 -3.908 1.00 0.00 N ATOM 0 H HIS A 129 3.066 7.138 -5.370 1.00 0.00 H new ATOM 0 HA HIS A 129 5.758 6.583 -6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 129 5.855 8.372 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 129 5.103 7.271 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.560 7.836 -5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.013 4.678 -2.461 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.238 6.236 -4.059 1.00 0.00 H new ATOM 2067 N SER A 130 4.020 4.950 -4.123 1.00 0.00 N ATOM 2068 CA SER A 130 3.876 3.627 -3.552 1.00 0.00 C ATOM 2069 C SER A 130 2.491 3.059 -3.803 1.00 0.00 C ATOM 2070 O SER A 130 1.514 3.486 -3.199 1.00 0.00 O ATOM 2071 CB SER A 130 4.163 3.670 -2.052 1.00 0.00 C ATOM 2072 OG SER A 130 5.471 4.162 -1.799 1.00 0.00 O ATOM 0 H SER A 130 3.478 5.681 -3.663 1.00 0.00 H new ATOM 0 HA SER A 130 4.598 2.972 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.429 4.305 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.058 2.671 -1.629 1.00 0.00 H new ATOM 0 HG SER A 130 5.822 4.590 -2.608 1.00 0.00 H new ATOM 2078 N VAL A 131 2.422 2.120 -4.732 1.00 0.00 N ATOM 2079 CA VAL A 131 1.212 1.354 -4.963 1.00 0.00 C ATOM 2080 C VAL A 131 1.501 -0.120 -4.713 1.00 0.00 C ATOM 2081 O VAL A 131 1.927 -0.848 -5.603 1.00 0.00 O ATOM 2082 CB VAL A 131 0.653 1.562 -6.394 1.00 0.00 C ATOM 2083 CG1 VAL A 131 -0.049 2.906 -6.501 1.00 0.00 C ATOM 2084 CG2 VAL A 131 1.758 1.469 -7.440 1.00 0.00 C ATOM 0 H VAL A 131 3.199 1.869 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 131 0.447 1.707 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.067 0.767 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.435 3.035 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.874 2.943 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.658 3.705 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.333 1.619 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.508 2.236 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.224 0.485 -7.390 1.00 0.00 H new ATOM 2094 N SER A 132 1.291 -0.541 -3.480 1.00 0.00 N ATOM 2095 CA SER A 132 1.668 -1.879 -3.056 1.00 0.00 C ATOM 2096 C SER A 132 0.468 -2.813 -3.041 1.00 0.00 C ATOM 2097 O SER A 132 -0.651 -2.395 -2.744 1.00 0.00 O ATOM 2098 CB SER A 132 2.282 -1.815 -1.657 1.00 0.00 C ATOM 2099 OG SER A 132 3.413 -0.963 -1.631 1.00 0.00 O ATOM 0 H SER A 132 0.859 0.026 -2.750 1.00 0.00 H new ATOM 0 HA SER A 132 2.395 -2.270 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.537 -1.456 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 132 2.571 -2.816 -1.338 1.00 0.00 H new ATOM 0 HG SER A 132 4.209 -1.483 -1.395 1.00 0.00 H new ATOM 2105 N ALA A 133 0.701 -4.077 -3.357 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.337 -5.081 -3.244 1.00 0.00 C ATOM 2107 C ALA A 133 0.051 -6.074 -2.170 1.00 0.00 C ATOM 2108 O ALA A 133 0.984 -6.843 -2.344 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.566 -5.783 -4.573 1.00 0.00 C ATOM 0 H ALA A 133 1.598 -4.428 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.274 -4.597 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.350 -6.531 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.868 -5.052 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.356 -6.269 -4.891 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.643 -6.034 -1.052 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.329 -6.902 0.061 1.00 0.00 C ATOM 2117 C GLU A 134 -1.178 -8.154 0.015 1.00 0.00 C ATOM 2118 O GLU A 134 -2.411 -8.091 0.044 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.538 -6.183 1.390 1.00 0.00 C ATOM 2120 CG GLU A 134 0.310 -4.939 1.534 1.00 0.00 C ATOM 2121 CD GLU A 134 0.187 -4.312 2.907 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -0.954 -4.067 3.353 1.00 0.00 O ATOM 2123 OE2 GLU A 134 1.231 -4.068 3.545 1.00 0.00 O ATOM 0 H GLU A 134 -1.431 -5.407 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 134 0.721 -7.182 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.589 -5.912 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.308 -6.868 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.354 -5.190 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.015 -4.212 0.778 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.508 -9.281 -0.077 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.181 -10.551 -0.075 1.00 0.00 C ATOM 2132 C GLY A 135 -0.195 -11.679 0.062 1.00 0.00 C ATOM 2133 O GLY A 135 0.687 -11.633 0.919 1.00 0.00 O ATOM 0 H GLY A 135 0.507 -9.339 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.897 -10.587 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.748 -10.668 -0.998 1.00 0.00 H new ATOM 2137 N THR A 136 -0.323 -12.673 -0.791 1.00 0.00 N ATOM 2138 CA THR A 136 0.572 -13.817 -0.769 1.00 0.00 C ATOM 2139 C THR A 136 0.903 -14.242 -2.190 1.00 0.00 C ATOM 2140 O THR A 136 0.311 -13.740 -3.144 1.00 0.00 O ATOM 2141 CB THR A 136 -0.057 -15.006 -0.010 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.359 -15.292 -0.541 1.00 0.00 O ATOM 2143 CG2 THR A 136 -0.172 -14.712 1.478 1.00 0.00 C ATOM 0 H THR A 136 -1.042 -12.714 -1.514 1.00 0.00 H new ATOM 0 HA THR A 136 1.483 -13.521 -0.250 1.00 0.00 H new ATOM 0 HB THR A 136 0.594 -15.870 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 136 -1.751 -16.048 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 136 -0.618 -15.568 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.820 -14.524 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.800 -13.834 1.628 1.00 0.00 H new ATOM 2151 N VAL A 137 1.847 -15.155 -2.339 1.00 0.00 N ATOM 2152 CA VAL A 137 2.186 -15.670 -3.653 1.00 0.00 C ATOM 2153 C VAL A 137 1.700 -17.102 -3.817 1.00 0.00 C ATOM 2154 O VAL A 137 1.981 -17.971 -2.987 1.00 0.00 O ATOM 2155 CB VAL A 137 3.703 -15.595 -3.937 1.00 0.00 C ATOM 2156 CG1 VAL A 137 4.138 -14.147 -4.102 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.506 -16.266 -2.831 1.00 0.00 C ATOM 0 H VAL A 137 2.389 -15.552 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 137 1.679 -15.034 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 137 3.898 -16.131 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.209 -14.109 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.598 -13.697 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.920 -13.595 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.569 -16.197 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.306 -15.768 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.218 -17.315 -2.758 1.00 0.00 H new ATOM 2167 N VAL A 138 0.942 -17.334 -4.876 1.00 0.00 N ATOM 2168 CA VAL A 138 0.472 -18.671 -5.198 1.00 0.00 C ATOM 2169 C VAL A 138 1.589 -19.441 -5.883 1.00 0.00 C ATOM 2170 O VAL A 138 1.811 -20.623 -5.618 1.00 0.00 O ATOM 2171 CB VAL A 138 -0.760 -18.633 -6.126 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.340 -20.027 -6.309 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -1.813 -17.678 -5.588 1.00 0.00 C ATOM 0 H VAL A 138 0.638 -16.612 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 138 0.181 -19.161 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.438 -18.268 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.208 -19.977 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.587 -20.679 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.642 -20.426 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.672 -17.668 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.130 -18.006 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.393 -16.674 -5.521 1.00 0.00 H new ATOM 2183 N SER A 139 2.295 -18.745 -6.761 1.00 0.00 N ATOM 2184 CA SER A 139 3.423 -19.312 -7.474 1.00 0.00 C ATOM 2185 C SER A 139 4.425 -18.214 -7.804 1.00 0.00 C ATOM 2186 O SER A 139 4.106 -17.273 -8.534 1.00 0.00 O ATOM 2187 CB SER A 139 2.954 -20.002 -8.758 1.00 0.00 C ATOM 2188 OG SER A 139 2.008 -21.019 -8.474 1.00 0.00 O ATOM 0 H SER A 139 2.100 -17.772 -6.997 1.00 0.00 H new ATOM 0 HA SER A 139 3.903 -20.057 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 139 2.511 -19.266 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 139 3.810 -20.432 -9.277 1.00 0.00 H new ATOM 0 HG SER A 139 1.723 -21.443 -9.310 1.00 0.00 H new