USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1106 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 105 SER OG : rot -173:sc= 0.067 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -153:sc= 0.0689 (180deg=-0.00163) USER MOD Set 2.1: A 44 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 99 ASN : amide:sc= -2.53 K(o=-2.5,f=-6.2!) USER MOD Set 3.1: A 16 THR OG1 : rot -85:sc= 0.324 USER MOD Set 3.2: A 31 HIS : no HD1:sc= -0.0456 X(o=0.59,f=0.61) USER MOD Set 3.3: A 128 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 173:sc= 0.84 USER MOD Single : A 12 GLN : amide:sc= 0.0533 K(o=0.053,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.4) USER MOD Single : A 19 HIS : no HD1:sc= -0.52 K(o=-0.47,f=-6.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 22 GLN : amide:sc= -0.841 K(o=-0.84,f=-5!) USER MOD Single : A 24 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot -153:sc= -3.52! USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 MET CE :methyl -121:sc= -3.29! (180deg=-3.48!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0.583 (180deg=-0.185) USER MOD Single : A 64 THR OG1 : rot 127:sc= 0.0778 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 67 SER OG : rot 166:sc= -0.585 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.0883 K(o=0.088,f=-6.2!) USER MOD Single : A 77 GLN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.125 USER MOD Single : A 82 SER OG : rot 48:sc= 0.568 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 89 GLN : amide:sc= -5.62! C(o=-5.6!,f=-5.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.311 (180deg=-0.836) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -107:sc= -1.23 (180deg=-4.33!) USER MOD Single : A 120 SER OG : rot 160:sc= -0.19 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.929 X(o=-0.93,f=-0.93) USER MOD Single : A 131 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 134 THR OG1 : rot -18:sc= 1.15 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.248 -0.399 14.715 1.00 0.00 N ATOM 2 CA GLY A 1 4.631 0.981 14.480 1.00 0.00 C ATOM 3 C GLY A 1 6.029 1.106 13.908 1.00 0.00 C ATOM 4 O GLY A 1 7.017 0.948 14.625 1.00 0.00 O ATOM 0 H1 GLY A 1 3.285 -0.430 15.106 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.275 -0.924 13.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.910 -0.833 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.919 1.441 13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.574 1.535 15.417 1.00 0.00 H new ATOM 8 N SER A 2 6.113 1.390 12.612 1.00 0.00 N ATOM 9 CA SER A 2 7.400 1.530 11.942 1.00 0.00 C ATOM 10 C SER A 2 7.650 2.982 11.544 1.00 0.00 C ATOM 11 O SER A 2 7.188 3.438 10.498 1.00 0.00 O ATOM 12 CB SER A 2 7.456 0.633 10.704 1.00 0.00 C ATOM 13 OG SER A 2 7.516 -0.735 11.068 1.00 0.00 O ATOM 0 H SER A 2 5.305 1.528 12.005 1.00 0.00 H new ATOM 0 HA SER A 2 8.180 1.223 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.577 0.809 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.328 0.891 10.103 1.00 0.00 H new ATOM 0 HG SER A 2 7.549 -1.288 10.259 1.00 0.00 H new ATOM 19 N SER A 3 8.384 3.702 12.386 1.00 0.00 N ATOM 20 CA SER A 3 8.693 5.103 12.126 1.00 0.00 C ATOM 21 C SER A 3 8.924 5.340 10.636 1.00 0.00 C ATOM 22 O SER A 3 9.394 4.457 9.921 1.00 0.00 O ATOM 23 CB SER A 3 9.928 5.531 12.920 1.00 0.00 C ATOM 24 OG SER A 3 11.115 5.050 12.315 1.00 0.00 O ATOM 0 H SER A 3 8.776 3.338 13.255 1.00 0.00 H new ATOM 0 HA SER A 3 7.840 5.703 12.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.964 6.619 12.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.857 5.153 13.940 1.00 0.00 H new ATOM 0 HG SER A 3 11.890 5.339 12.841 1.00 0.00 H new ATOM 30 N GLY A 4 8.590 6.542 10.176 1.00 0.00 N ATOM 31 CA GLY A 4 8.767 6.876 8.775 1.00 0.00 C ATOM 32 C GLY A 4 9.831 7.934 8.561 1.00 0.00 C ATOM 33 O GLY A 4 9.726 9.044 9.083 1.00 0.00 O ATOM 0 H GLY A 4 8.200 7.290 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.037 5.977 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.820 7.229 8.367 1.00 0.00 H new ATOM 37 N SER A 5 10.860 7.590 7.793 1.00 0.00 N ATOM 38 CA SER A 5 11.951 8.518 7.516 1.00 0.00 C ATOM 39 C SER A 5 11.667 9.329 6.255 1.00 0.00 C ATOM 40 O SER A 5 11.270 8.780 5.227 1.00 0.00 O ATOM 41 CB SER A 5 13.269 7.756 7.361 1.00 0.00 C ATOM 42 OG SER A 5 14.379 8.618 7.537 1.00 0.00 O ATOM 0 H SER A 5 10.961 6.676 7.352 1.00 0.00 H new ATOM 0 HA SER A 5 12.034 9.206 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.313 6.947 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.314 7.297 6.373 1.00 0.00 H new ATOM 0 HG SER A 5 15.209 8.107 7.435 1.00 0.00 H new ATOM 48 N SER A 6 11.875 10.639 6.343 1.00 0.00 N ATOM 49 CA SER A 6 11.638 11.527 5.211 1.00 0.00 C ATOM 50 C SER A 6 12.794 11.461 4.217 1.00 0.00 C ATOM 51 O SER A 6 13.913 11.871 4.520 1.00 0.00 O ATOM 52 CB SER A 6 11.450 12.966 5.696 1.00 0.00 C ATOM 53 OG SER A 6 10.608 13.694 4.820 1.00 0.00 O ATOM 0 H SER A 6 12.207 11.108 7.186 1.00 0.00 H new ATOM 0 HA SER A 6 10.729 11.198 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.021 12.962 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.420 13.459 5.766 1.00 0.00 H new ATOM 0 HG SER A 6 10.503 14.610 5.153 1.00 0.00 H new ATOM 59 N GLY A 7 12.513 10.939 3.027 1.00 0.00 N ATOM 60 CA GLY A 7 13.537 10.827 2.005 1.00 0.00 C ATOM 61 C GLY A 7 12.956 10.727 0.609 1.00 0.00 C ATOM 62 O GLY A 7 13.290 9.814 -0.146 1.00 0.00 O ATOM 0 H GLY A 7 11.594 10.592 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.196 11.693 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.149 9.948 2.204 1.00 0.00 H new ATOM 66 N SER A 8 12.082 11.668 0.265 1.00 0.00 N ATOM 67 CA SER A 8 11.448 11.679 -1.048 1.00 0.00 C ATOM 68 C SER A 8 10.771 13.020 -1.314 1.00 0.00 C ATOM 69 O SER A 8 9.910 13.470 -0.558 1.00 0.00 O ATOM 70 CB SER A 8 10.423 10.548 -1.153 1.00 0.00 C ATOM 71 OG SER A 8 9.189 10.923 -0.567 1.00 0.00 O ATOM 0 H SER A 8 11.797 12.432 0.877 1.00 0.00 H new ATOM 0 HA SER A 8 12.223 11.528 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.268 10.289 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.808 9.657 -0.658 1.00 0.00 H new ATOM 0 HG SER A 8 8.517 10.234 -0.751 1.00 0.00 H new ATOM 77 N PRO A 9 11.170 13.676 -2.414 1.00 0.00 N ATOM 78 CA PRO A 9 10.615 14.974 -2.806 1.00 0.00 C ATOM 79 C PRO A 9 9.167 14.869 -3.274 1.00 0.00 C ATOM 80 O PRO A 9 8.389 15.814 -3.135 1.00 0.00 O ATOM 81 CB PRO A 9 11.520 15.413 -3.960 1.00 0.00 C ATOM 82 CG PRO A 9 12.058 14.143 -4.523 1.00 0.00 C ATOM 83 CD PRO A 9 12.192 13.199 -3.360 1.00 0.00 C ATOM 0 HA PRO A 9 10.593 15.676 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.962 15.973 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.322 16.062 -3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.387 13.737 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.021 14.307 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.013 12.166 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.191 13.236 -2.925 1.00 0.00 H new ATOM 91 N LEU A 10 8.812 13.715 -3.828 1.00 0.00 N ATOM 92 CA LEU A 10 7.457 13.486 -4.316 1.00 0.00 C ATOM 93 C LEU A 10 6.498 13.226 -3.159 1.00 0.00 C ATOM 94 O LEU A 10 5.461 13.877 -3.041 1.00 0.00 O ATOM 95 CB LEU A 10 7.436 12.304 -5.286 1.00 0.00 C ATOM 96 CG LEU A 10 8.399 12.390 -6.471 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.213 11.199 -7.398 1.00 0.00 C ATOM 98 CD2 LEU A 10 8.198 13.695 -7.228 1.00 0.00 C ATOM 0 H LEU A 10 9.444 12.924 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 10 7.130 14.384 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.661 11.396 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.423 12.196 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 10 9.419 12.369 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.907 11.278 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.409 10.277 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.190 11.187 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.892 13.739 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.175 13.746 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.384 14.536 -6.560 1.00 0.00 H new ATOM 110 N GLY A 11 6.853 12.271 -2.306 1.00 0.00 N ATOM 111 CA GLY A 11 6.015 11.943 -1.168 1.00 0.00 C ATOM 112 C GLY A 11 6.107 10.480 -0.782 1.00 0.00 C ATOM 113 O GLY A 11 6.902 9.731 -1.349 1.00 0.00 O ATOM 0 H GLY A 11 7.707 11.718 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.306 12.559 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.979 12.190 -1.401 1.00 0.00 H new ATOM 117 N GLN A 12 5.292 10.072 0.186 1.00 0.00 N ATOM 118 CA GLN A 12 5.287 8.689 0.648 1.00 0.00 C ATOM 119 C GLN A 12 3.861 8.180 0.827 1.00 0.00 C ATOM 120 O GLN A 12 2.899 8.934 0.676 1.00 0.00 O ATOM 121 CB GLN A 12 6.053 8.568 1.967 1.00 0.00 C ATOM 122 CG GLN A 12 7.491 9.056 1.882 1.00 0.00 C ATOM 123 CD GLN A 12 8.152 9.161 3.242 1.00 0.00 C ATOM 124 OE1 GLN A 12 7.516 8.939 4.273 1.00 0.00 O ATOM 125 NE2 GLN A 12 9.435 9.502 3.252 1.00 0.00 N ATOM 0 H GLN A 12 4.627 10.679 0.665 1.00 0.00 H new ATOM 0 HA GLN A 12 5.779 8.078 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.530 9.137 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.050 7.525 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.066 8.375 1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.512 10.031 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.923 9.677 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.933 9.589 4.138 1.00 0.00 H new ATOM 134 N ILE A 13 3.732 6.897 1.147 1.00 0.00 N ATOM 135 CA ILE A 13 2.423 6.287 1.347 1.00 0.00 C ATOM 136 C ILE A 13 2.537 4.982 2.127 1.00 0.00 C ATOM 137 O ILE A 13 3.401 4.153 1.844 1.00 0.00 O ATOM 138 CB ILE A 13 1.721 6.010 0.004 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.360 5.352 0.242 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.594 5.132 -0.879 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.482 5.237 -1.009 1.00 0.00 C ATOM 0 H ILE A 13 4.518 6.259 1.273 1.00 0.00 H new ATOM 0 HA ILE A 13 1.828 6.998 1.920 1.00 0.00 H new ATOM 0 HB ILE A 13 1.560 6.959 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.515 4.357 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.188 5.928 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.084 4.945 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.541 5.636 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.784 4.184 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.432 4.761 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.667 6.231 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.046 4.635 -1.749 1.00 0.00 H new ATOM 153 N GLN A 14 1.658 4.807 3.108 1.00 0.00 N ATOM 154 CA GLN A 14 1.660 3.601 3.929 1.00 0.00 C ATOM 155 C GLN A 14 0.595 2.619 3.455 1.00 0.00 C ATOM 156 O GLN A 14 -0.596 2.934 3.448 1.00 0.00 O ATOM 157 CB GLN A 14 1.425 3.958 5.397 1.00 0.00 C ATOM 158 CG GLN A 14 2.070 2.985 6.371 1.00 0.00 C ATOM 159 CD GLN A 14 1.946 3.433 7.813 1.00 0.00 C ATOM 160 OE1 GLN A 14 1.144 4.311 8.136 1.00 0.00 O ATOM 161 NE2 GLN A 14 2.739 2.831 8.691 1.00 0.00 N ATOM 0 H GLN A 14 0.936 5.484 3.354 1.00 0.00 H new ATOM 0 HA GLN A 14 2.636 3.126 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.813 4.959 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.352 3.992 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.608 2.004 6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.124 2.871 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.389 2.109 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.699 3.091 9.677 1.00 0.00 H new ATOM 170 N LEU A 15 1.029 1.428 3.059 1.00 0.00 N ATOM 171 CA LEU A 15 0.112 0.398 2.583 1.00 0.00 C ATOM 172 C LEU A 15 0.480 -0.967 3.156 1.00 0.00 C ATOM 173 O LEU A 15 1.657 -1.322 3.238 1.00 0.00 O ATOM 174 CB LEU A 15 0.126 0.342 1.054 1.00 0.00 C ATOM 175 CG LEU A 15 0.062 1.689 0.333 1.00 0.00 C ATOM 176 CD1 LEU A 15 0.437 1.528 -1.133 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.325 2.300 0.467 1.00 0.00 C ATOM 0 H LEU A 15 2.011 1.151 3.058 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.891 0.655 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.032 -0.174 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.718 -0.264 0.725 1.00 0.00 H new ATOM 0 HG LEU A 15 0.781 2.364 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.386 2.497 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.451 1.135 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.257 0.837 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.352 3.258 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.062 1.628 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.555 2.452 1.521 1.00 0.00 H new ATOM 189 N THR A 16 -0.534 -1.730 3.551 1.00 0.00 N ATOM 190 CA THR A 16 -0.318 -3.056 4.116 1.00 0.00 C ATOM 191 C THR A 16 -0.652 -4.146 3.104 1.00 0.00 C ATOM 192 O THR A 16 -1.820 -4.369 2.781 1.00 0.00 O ATOM 193 CB THR A 16 -1.164 -3.272 5.384 1.00 0.00 C ATOM 194 OG1 THR A 16 -0.827 -2.290 6.371 1.00 0.00 O ATOM 195 CG2 THR A 16 -0.944 -4.666 5.952 1.00 0.00 C ATOM 0 H THR A 16 -1.514 -1.452 3.490 1.00 0.00 H new ATOM 0 HA THR A 16 0.738 -3.119 4.379 1.00 0.00 H new ATOM 0 HB THR A 16 -2.215 -3.170 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.050 -2.596 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.552 -4.794 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.230 -5.411 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.108 -4.793 6.207 1.00 0.00 H new ATOM 203 N ILE A 17 0.378 -4.823 2.607 1.00 0.00 N ATOM 204 CA ILE A 17 0.191 -5.891 1.633 1.00 0.00 C ATOM 205 C ILE A 17 0.274 -7.261 2.297 1.00 0.00 C ATOM 206 O ILE A 17 1.307 -7.629 2.857 1.00 0.00 O ATOM 207 CB ILE A 17 1.239 -5.814 0.507 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.097 -4.500 -0.263 1.00 0.00 C ATOM 209 CG2 ILE A 17 1.094 -7.002 -0.433 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.139 -4.317 -1.345 1.00 0.00 C ATOM 0 H ILE A 17 1.350 -4.651 2.863 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.802 -5.758 1.204 1.00 0.00 H new ATOM 0 HB ILE A 17 2.233 -5.847 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.106 -4.458 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.164 -3.668 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.841 -6.934 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.239 -7.927 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.097 -6.997 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.977 -3.364 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.133 -4.326 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.059 -5.128 -2.068 1.00 0.00 H new ATOM 222 N ARG A 18 -0.819 -8.013 2.229 1.00 0.00 N ATOM 223 CA ARG A 18 -0.870 -9.343 2.823 1.00 0.00 C ATOM 224 C ARG A 18 -1.782 -10.264 2.017 1.00 0.00 C ATOM 225 O ARG A 18 -2.988 -10.035 1.924 1.00 0.00 O ATOM 226 CB ARG A 18 -1.361 -9.261 4.270 1.00 0.00 C ATOM 227 CG ARG A 18 -1.364 -10.600 4.989 1.00 0.00 C ATOM 228 CD ARG A 18 -2.328 -10.598 6.165 1.00 0.00 C ATOM 229 NE ARG A 18 -3.712 -10.787 5.739 1.00 0.00 N ATOM 230 CZ ARG A 18 -4.760 -10.385 6.449 1.00 0.00 C ATOM 231 NH1 ARG A 18 -4.583 -9.775 7.613 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.990 -10.593 5.994 1.00 0.00 N ATOM 0 H ARG A 18 -1.682 -7.724 1.768 1.00 0.00 H new ATOM 0 HA ARG A 18 0.138 -9.757 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.729 -8.564 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.371 -8.851 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.642 -11.389 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.358 -10.827 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.052 -11.390 6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.240 -9.655 6.704 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.883 -11.253 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.640 -9.613 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.390 -9.468 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.130 -11.062 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.795 -10.284 6.540 1.00 0.00 H new ATOM 246 N HIS A 19 -1.197 -11.307 1.436 1.00 0.00 N ATOM 247 CA HIS A 19 -1.957 -12.262 0.637 1.00 0.00 C ATOM 248 C HIS A 19 -2.312 -13.497 1.461 1.00 0.00 C ATOM 249 O HIS A 19 -1.453 -14.327 1.755 1.00 0.00 O ATOM 250 CB HIS A 19 -1.159 -12.673 -0.600 1.00 0.00 C ATOM 251 CG HIS A 19 -1.784 -13.795 -1.371 1.00 0.00 C ATOM 252 ND1 HIS A 19 -1.656 -15.119 -1.010 1.00 0.00 N ATOM 253 CD2 HIS A 19 -2.547 -13.783 -2.489 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.312 -15.874 -1.874 1.00 0.00 C ATOM 255 NE2 HIS A 19 -2.862 -15.087 -2.781 1.00 0.00 N ATOM 0 H HIS A 19 -0.200 -11.512 1.503 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.881 -11.779 0.320 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.050 -11.809 -1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.156 -12.969 -0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.851 -12.910 -3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.386 -16.951 -1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.429 -15.398 -3.570 1.00 0.00 H new ATOM 263 N SER A 20 -3.584 -13.610 1.830 1.00 0.00 N ATOM 264 CA SER A 20 -4.052 -14.740 2.624 1.00 0.00 C ATOM 265 C SER A 20 -4.148 -16.001 1.770 1.00 0.00 C ATOM 266 O SER A 20 -4.870 -16.035 0.773 1.00 0.00 O ATOM 267 CB SER A 20 -5.415 -14.426 3.243 1.00 0.00 C ATOM 268 OG SER A 20 -5.270 -13.720 4.463 1.00 0.00 O ATOM 0 H SER A 20 -4.309 -12.933 1.592 1.00 0.00 H new ATOM 0 HA SER A 20 -3.330 -14.915 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.007 -13.834 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.961 -15.353 3.418 1.00 0.00 H new ATOM 0 HG SER A 20 -6.155 -13.530 4.838 1.00 0.00 H new ATOM 274 N SER A 21 -3.413 -17.034 2.168 1.00 0.00 N ATOM 275 CA SER A 21 -3.411 -18.297 1.438 1.00 0.00 C ATOM 276 C SER A 21 -4.762 -18.996 1.558 1.00 0.00 C ATOM 277 O SER A 21 -5.388 -19.336 0.554 1.00 0.00 O ATOM 278 CB SER A 21 -2.302 -19.211 1.962 1.00 0.00 C ATOM 279 OG SER A 21 -2.367 -19.335 3.372 1.00 0.00 O ATOM 0 H SER A 21 -2.811 -17.022 2.992 1.00 0.00 H new ATOM 0 HA SER A 21 -3.226 -18.080 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.391 -20.196 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.330 -18.811 1.673 1.00 0.00 H new ATOM 0 HG SER A 21 -1.649 -19.925 3.682 1.00 0.00 H new ATOM 285 N GLN A 22 -5.204 -19.207 2.793 1.00 0.00 N ATOM 286 CA GLN A 22 -6.480 -19.866 3.045 1.00 0.00 C ATOM 287 C GLN A 22 -7.601 -19.203 2.252 1.00 0.00 C ATOM 288 O GLN A 22 -8.437 -19.882 1.655 1.00 0.00 O ATOM 289 CB GLN A 22 -6.808 -19.835 4.539 1.00 0.00 C ATOM 290 CG GLN A 22 -5.843 -20.644 5.391 1.00 0.00 C ATOM 291 CD GLN A 22 -6.054 -22.139 5.251 1.00 0.00 C ATOM 292 OE1 GLN A 22 -6.250 -22.650 4.148 1.00 0.00 O ATOM 293 NE2 GLN A 22 -6.016 -22.850 6.373 1.00 0.00 N ATOM 0 H GLN A 22 -4.698 -18.931 3.635 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.395 -20.903 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.803 -18.800 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.818 -20.216 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.820 -20.397 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.962 -20.360 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.851 -22.385 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.152 -23.860 6.341 1.00 0.00 H new ATOM 302 N ARG A 23 -7.613 -17.874 2.251 1.00 0.00 N ATOM 303 CA ARG A 23 -8.632 -17.120 1.533 1.00 0.00 C ATOM 304 C ARG A 23 -8.264 -16.975 0.059 1.00 0.00 C ATOM 305 O ARG A 23 -9.122 -16.711 -0.782 1.00 0.00 O ATOM 306 CB ARG A 23 -8.813 -15.738 2.163 1.00 0.00 C ATOM 307 CG ARG A 23 -9.553 -15.765 3.490 1.00 0.00 C ATOM 308 CD ARG A 23 -11.059 -15.695 3.289 1.00 0.00 C ATOM 309 NE ARG A 23 -11.475 -14.421 2.709 1.00 0.00 N ATOM 310 CZ ARG A 23 -12.736 -14.002 2.683 1.00 0.00 C ATOM 311 NH1 ARG A 23 -13.698 -14.752 3.202 1.00 0.00 N ATOM 312 NH2 ARG A 23 -13.035 -12.830 2.138 1.00 0.00 N ATOM 0 H ARG A 23 -6.928 -17.298 2.740 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.571 -17.669 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.833 -15.285 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.356 -15.099 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.299 -16.676 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.228 -14.927 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.376 -16.510 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.560 -15.838 4.247 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.759 -13.820 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.471 -15.653 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.665 -14.428 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.297 -12.250 1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.003 -12.509 2.118 1.00 0.00 H new ATOM 326 N ASN A 24 -6.982 -17.148 -0.245 1.00 0.00 N ATOM 327 CA ASN A 24 -6.500 -17.035 -1.617 1.00 0.00 C ATOM 328 C ASN A 24 -6.886 -15.689 -2.220 1.00 0.00 C ATOM 329 O ASN A 24 -7.364 -15.617 -3.352 1.00 0.00 O ATOM 330 CB ASN A 24 -7.064 -18.171 -2.473 1.00 0.00 C ATOM 331 CG ASN A 24 -6.942 -19.522 -1.794 1.00 0.00 C ATOM 332 OD1 ASN A 24 -7.670 -19.822 -0.848 1.00 0.00 O ATOM 333 ND2 ASN A 24 -6.018 -20.345 -2.277 1.00 0.00 N ATOM 0 H ASN A 24 -6.258 -17.367 0.440 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.412 -17.107 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.113 -17.971 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.539 -18.198 -3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.890 -21.268 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.437 -20.054 -3.063 1.00 0.00 H new ATOM 340 N LYS A 25 -6.675 -14.622 -1.456 1.00 0.00 N ATOM 341 CA LYS A 25 -6.998 -13.276 -1.915 1.00 0.00 C ATOM 342 C LYS A 25 -5.893 -12.293 -1.540 1.00 0.00 C ATOM 343 O LYS A 25 -5.110 -12.545 -0.624 1.00 0.00 O ATOM 344 CB LYS A 25 -8.329 -12.817 -1.314 1.00 0.00 C ATOM 345 CG LYS A 25 -9.513 -13.671 -1.734 1.00 0.00 C ATOM 346 CD LYS A 25 -10.801 -12.867 -1.755 1.00 0.00 C ATOM 347 CE LYS A 25 -12.018 -13.757 -1.553 1.00 0.00 C ATOM 348 NZ LYS A 25 -12.479 -14.365 -2.832 1.00 0.00 N ATOM 0 H LYS A 25 -6.282 -14.664 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.085 -13.300 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.251 -12.829 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.514 -11.784 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.328 -14.089 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.619 -14.511 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.770 -12.108 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.887 -12.341 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.776 -14.547 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.827 -13.172 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.310 -14.964 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.734 -13.612 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.716 -14.944 -3.236 1.00 0.00 H new ATOM 362 N LEU A 26 -5.837 -11.174 -2.253 1.00 0.00 N ATOM 363 CA LEU A 26 -4.829 -10.152 -1.994 1.00 0.00 C ATOM 364 C LEU A 26 -5.447 -8.939 -1.306 1.00 0.00 C ATOM 365 O LEU A 26 -6.189 -8.174 -1.923 1.00 0.00 O ATOM 366 CB LEU A 26 -4.160 -9.725 -3.301 1.00 0.00 C ATOM 367 CG LEU A 26 -3.119 -8.610 -3.190 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.865 -9.118 -2.497 1.00 0.00 C ATOM 369 CD2 LEU A 26 -2.783 -8.055 -4.567 1.00 0.00 C ATOM 0 H LEU A 26 -6.478 -10.951 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.077 -10.579 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.681 -10.599 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.936 -9.402 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.540 -7.804 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.136 -8.311 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.118 -9.466 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.441 -9.942 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.041 -7.263 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.382 -8.852 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.685 -7.652 -5.027 1.00 0.00 H new ATOM 381 N ILE A 27 -5.134 -8.768 -0.026 1.00 0.00 N ATOM 382 CA ILE A 27 -5.656 -7.646 0.745 1.00 0.00 C ATOM 383 C ILE A 27 -4.651 -6.501 0.798 1.00 0.00 C ATOM 384 O ILE A 27 -3.467 -6.711 1.064 1.00 0.00 O ATOM 385 CB ILE A 27 -6.013 -8.068 2.182 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.151 -9.090 2.169 1.00 0.00 C ATOM 387 CG2 ILE A 27 -6.395 -6.852 3.012 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.685 -10.512 1.945 1.00 0.00 C ATOM 0 H ILE A 27 -4.522 -9.392 0.499 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.561 -7.309 0.239 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.138 -8.533 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.687 -9.037 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.861 -8.821 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.645 -7.167 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.557 -6.156 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.258 -6.361 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.545 -11.182 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.175 -10.581 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.999 -10.800 2.741 1.00 0.00 H new ATOM 400 N VAL A 28 -5.131 -5.287 0.544 1.00 0.00 N ATOM 401 CA VAL A 28 -4.275 -4.107 0.565 1.00 0.00 C ATOM 402 C VAL A 28 -4.987 -2.924 1.212 1.00 0.00 C ATOM 403 O VAL A 28 -5.925 -2.365 0.645 1.00 0.00 O ATOM 404 CB VAL A 28 -3.831 -3.710 -0.855 1.00 0.00 C ATOM 405 CG1 VAL A 28 -2.965 -2.460 -0.814 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.090 -4.859 -1.522 1.00 0.00 C ATOM 0 H VAL A 28 -6.108 -5.096 0.321 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.395 -4.365 1.154 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.720 -3.489 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.661 -2.195 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.533 -1.638 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.080 -2.650 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.784 -4.561 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.208 -5.114 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.746 -5.727 -1.586 1.00 0.00 H new ATOM 416 N VAL A 29 -4.533 -2.548 2.404 1.00 0.00 N ATOM 417 CA VAL A 29 -5.125 -1.430 3.129 1.00 0.00 C ATOM 418 C VAL A 29 -4.413 -0.122 2.800 1.00 0.00 C ATOM 419 O VAL A 29 -3.193 -0.092 2.634 1.00 0.00 O ATOM 420 CB VAL A 29 -5.077 -1.659 4.651 1.00 0.00 C ATOM 421 CG1 VAL A 29 -5.740 -0.504 5.386 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.739 -2.981 5.011 1.00 0.00 C ATOM 0 H VAL A 29 -3.758 -3.001 2.887 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.166 -1.363 2.812 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.033 -1.704 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.696 -0.683 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.218 0.424 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.781 -0.424 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.696 -3.127 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.780 -2.967 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.216 -3.797 4.513 1.00 0.00 H new ATOM 432 N VAL A 30 -5.182 0.958 2.708 1.00 0.00 N ATOM 433 CA VAL A 30 -4.625 2.269 2.401 1.00 0.00 C ATOM 434 C VAL A 30 -4.944 3.274 3.502 1.00 0.00 C ATOM 435 O VAL A 30 -6.009 3.892 3.504 1.00 0.00 O ATOM 436 CB VAL A 30 -5.160 2.807 1.060 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.556 4.168 0.751 1.00 0.00 C ATOM 438 CG2 VAL A 30 -4.872 1.820 -0.062 1.00 0.00 C ATOM 0 H VAL A 30 -6.193 0.950 2.842 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.545 2.144 2.329 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.240 2.926 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.946 4.532 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.817 4.870 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.471 4.079 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.256 2.216 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.796 1.668 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.357 0.869 0.157 1.00 0.00 H new ATOM 448 N HIS A 31 -4.014 3.432 4.439 1.00 0.00 N ATOM 449 CA HIS A 31 -4.196 4.363 5.547 1.00 0.00 C ATOM 450 C HIS A 31 -4.355 5.792 5.035 1.00 0.00 C ATOM 451 O HIS A 31 -5.452 6.349 5.052 1.00 0.00 O ATOM 452 CB HIS A 31 -3.009 4.283 6.508 1.00 0.00 C ATOM 453 CG HIS A 31 -2.773 2.908 7.054 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.383 2.437 8.197 1.00 0.00 N ATOM 455 CD2 HIS A 31 -1.988 1.901 6.605 1.00 0.00 C ATOM 456 CE1 HIS A 31 -2.983 1.199 8.429 1.00 0.00 C ATOM 457 NE2 HIS A 31 -2.136 0.850 7.477 1.00 0.00 N ATOM 0 H HIS A 31 -3.128 2.928 4.453 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.105 4.083 6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.110 4.619 5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.176 4.971 7.337 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.362 1.920 5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.295 0.578 9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.668 -0.053 7.402 1.00 0.00 H new ATOM 465 N ALA A 32 -3.252 6.379 4.582 1.00 0.00 N ATOM 466 CA ALA A 32 -3.270 7.742 4.065 1.00 0.00 C ATOM 467 C ALA A 32 -1.933 8.105 3.428 1.00 0.00 C ATOM 468 O ALA A 32 -0.926 7.432 3.650 1.00 0.00 O ATOM 469 CB ALA A 32 -3.611 8.724 5.176 1.00 0.00 C ATOM 0 H ALA A 32 -2.335 5.932 4.563 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.038 7.801 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.621 9.738 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.593 8.485 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.863 8.653 5.966 1.00 0.00 H new ATOM 475 N CYS A 33 -1.931 9.171 2.635 1.00 0.00 N ATOM 476 CA CYS A 33 -0.717 9.622 1.964 1.00 0.00 C ATOM 477 C CYS A 33 -0.263 10.971 2.511 1.00 0.00 C ATOM 478 O CYS A 33 -1.083 11.801 2.903 1.00 0.00 O ATOM 479 CB CYS A 33 -0.950 9.722 0.456 1.00 0.00 C ATOM 480 SG CYS A 33 -1.506 8.181 -0.309 1.00 0.00 S ATOM 0 H CYS A 33 -2.756 9.739 2.441 1.00 0.00 H new ATOM 0 HA CYS A 33 0.068 8.890 2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.691 10.498 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.024 10.040 -0.024 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.144 8.161 -1.558 1.00 0.00 H new ATOM 486 N ARG A 34 1.049 11.182 2.536 1.00 0.00 N ATOM 487 CA ARG A 34 1.613 12.430 3.038 1.00 0.00 C ATOM 488 C ARG A 34 2.779 12.889 2.167 1.00 0.00 C ATOM 489 O ARG A 34 3.308 12.120 1.366 1.00 0.00 O ATOM 490 CB ARG A 34 2.079 12.258 4.484 1.00 0.00 C ATOM 491 CG ARG A 34 3.166 11.209 4.653 1.00 0.00 C ATOM 492 CD ARG A 34 3.621 11.106 6.100 1.00 0.00 C ATOM 493 NE ARG A 34 4.706 12.038 6.401 1.00 0.00 N ATOM 494 CZ ARG A 34 5.087 12.348 7.635 1.00 0.00 C ATOM 495 NH1 ARG A 34 4.476 11.804 8.678 1.00 0.00 N ATOM 496 NH2 ARG A 34 6.082 13.204 7.827 1.00 0.00 N ATOM 0 H ARG A 34 1.741 10.505 2.215 1.00 0.00 H new ATOM 0 HA ARG A 34 0.834 13.192 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.448 13.214 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.224 11.986 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.794 10.241 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.017 11.460 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.777 11.307 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.951 10.087 6.305 1.00 0.00 H new ATOM 0 HE ARG A 34 5.197 12.474 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.711 11.145 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.771 12.044 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.555 13.624 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.374 13.442 8.775 1.00 0.00 H new ATOM 510 N ASN A 35 3.173 14.147 2.331 1.00 0.00 N ATOM 511 CA ASN A 35 4.276 14.709 1.559 1.00 0.00 C ATOM 512 C ASN A 35 3.953 14.708 0.068 1.00 0.00 C ATOM 513 O ASN A 35 4.818 14.436 -0.766 1.00 0.00 O ATOM 514 CB ASN A 35 5.560 13.918 1.815 1.00 0.00 C ATOM 515 CG ASN A 35 6.005 13.989 3.263 1.00 0.00 C ATOM 516 OD1 ASN A 35 5.623 14.901 3.997 1.00 0.00 O ATOM 517 ND2 ASN A 35 6.816 13.024 3.680 1.00 0.00 N ATOM 0 H ASN A 35 2.746 14.797 2.991 1.00 0.00 H new ATOM 0 HA ASN A 35 4.423 15.740 1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.403 12.876 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.354 14.302 1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.148 13.018 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.107 12.288 3.036 1.00 0.00 H new ATOM 524 N LEU A 36 2.702 15.014 -0.261 1.00 0.00 N ATOM 525 CA LEU A 36 2.264 15.049 -1.652 1.00 0.00 C ATOM 526 C LEU A 36 2.319 16.470 -2.204 1.00 0.00 C ATOM 527 O LEU A 36 1.490 17.313 -1.859 1.00 0.00 O ATOM 528 CB LEU A 36 0.842 14.497 -1.773 1.00 0.00 C ATOM 529 CG LEU A 36 0.685 12.993 -1.548 1.00 0.00 C ATOM 530 CD1 LEU A 36 -0.757 12.568 -1.775 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.622 12.216 -2.461 1.00 0.00 C ATOM 0 H LEU A 36 1.974 15.241 0.416 1.00 0.00 H new ATOM 0 HA LEU A 36 2.940 14.425 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.209 15.019 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.464 14.737 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 36 0.950 12.770 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.850 11.495 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.407 13.099 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.049 12.805 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.496 11.147 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.389 12.444 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.653 12.499 -2.250 1.00 0.00 H new ATOM 543 N ILE A 37 3.298 16.727 -3.064 1.00 0.00 N ATOM 544 CA ILE A 37 3.459 18.045 -3.667 1.00 0.00 C ATOM 545 C ILE A 37 2.238 18.421 -4.499 1.00 0.00 C ATOM 546 O ILE A 37 1.676 17.586 -5.208 1.00 0.00 O ATOM 547 CB ILE A 37 4.713 18.107 -4.559 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.569 17.152 -5.746 1.00 0.00 C ATOM 549 CG2 ILE A 37 5.956 17.770 -3.749 1.00 0.00 C ATOM 550 CD1 ILE A 37 3.918 17.786 -6.956 1.00 0.00 C ATOM 0 H ILE A 37 3.992 16.040 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 37 3.571 18.755 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 37 4.818 19.121 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.555 16.782 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.980 16.288 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.834 17.818 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.064 18.486 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.861 16.765 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.849 17.052 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.918 18.131 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.518 18.633 -7.290 1.00 0.00 H new ATOM 562 N ALA A 38 1.833 19.683 -4.409 1.00 0.00 N ATOM 563 CA ALA A 38 0.681 20.172 -5.157 1.00 0.00 C ATOM 564 C ALA A 38 1.117 20.905 -6.420 1.00 0.00 C ATOM 565 O ALA A 38 1.736 21.967 -6.352 1.00 0.00 O ATOM 566 CB ALA A 38 -0.168 21.082 -4.282 1.00 0.00 C ATOM 0 H ALA A 38 2.286 20.386 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 38 0.082 19.312 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.025 21.440 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.518 20.527 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.430 21.932 -3.953 1.00 0.00 H new ATOM 572 N PHE A 39 0.791 20.331 -7.574 1.00 0.00 N ATOM 573 CA PHE A 39 1.151 20.930 -8.854 1.00 0.00 C ATOM 574 C PHE A 39 0.947 22.442 -8.824 1.00 0.00 C ATOM 575 O PHE A 39 1.720 23.195 -9.417 1.00 0.00 O ATOM 576 CB PHE A 39 0.319 20.314 -9.981 1.00 0.00 C ATOM 577 CG PHE A 39 1.006 20.341 -11.317 1.00 0.00 C ATOM 578 CD1 PHE A 39 1.069 21.512 -12.054 1.00 0.00 C ATOM 579 CD2 PHE A 39 1.589 19.196 -11.834 1.00 0.00 C ATOM 580 CE1 PHE A 39 1.700 21.540 -13.284 1.00 0.00 C ATOM 581 CE2 PHE A 39 2.222 19.217 -13.063 1.00 0.00 C ATOM 582 CZ PHE A 39 2.278 20.391 -13.788 1.00 0.00 C ATOM 0 H PHE A 39 0.278 19.452 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 39 2.206 20.727 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.082 19.282 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.628 20.849 -10.057 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.620 22.413 -11.664 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.549 18.276 -11.270 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.741 22.459 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.672 18.317 -13.455 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.773 20.411 -14.748 1.00 0.00 H new ATOM 592 N SER A 40 -0.099 22.878 -8.129 1.00 0.00 N ATOM 593 CA SER A 40 -0.408 24.299 -8.025 1.00 0.00 C ATOM 594 C SER A 40 -0.753 24.676 -6.587 1.00 0.00 C ATOM 595 O SER A 40 -1.737 24.193 -6.028 1.00 0.00 O ATOM 596 CB SER A 40 -1.570 24.660 -8.952 1.00 0.00 C ATOM 597 OG SER A 40 -1.841 26.050 -8.915 1.00 0.00 O ATOM 0 H SER A 40 -0.746 22.268 -7.630 1.00 0.00 H new ATOM 0 HA SER A 40 0.476 24.861 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.331 24.360 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.460 24.105 -8.657 1.00 0.00 H new ATOM 0 HG SER A 40 -2.587 26.254 -9.517 1.00 0.00 H new ATOM 603 N GLU A 41 0.064 25.542 -5.996 1.00 0.00 N ATOM 604 CA GLU A 41 -0.155 25.982 -4.623 1.00 0.00 C ATOM 605 C GLU A 41 -1.646 26.102 -4.321 1.00 0.00 C ATOM 606 O GLU A 41 -2.117 25.649 -3.278 1.00 0.00 O ATOM 607 CB GLU A 41 0.536 27.326 -4.380 1.00 0.00 C ATOM 608 CG GLU A 41 2.012 27.200 -4.043 1.00 0.00 C ATOM 609 CD GLU A 41 2.535 28.387 -3.257 1.00 0.00 C ATOM 610 OE1 GLU A 41 2.782 29.444 -3.875 1.00 0.00 O ATOM 611 OE2 GLU A 41 2.697 28.259 -2.026 1.00 0.00 O ATOM 0 H GLU A 41 0.882 25.952 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 41 0.274 25.234 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.427 27.947 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.029 27.844 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.173 26.289 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.584 27.099 -4.965 1.00 0.00 H new ATOM 618 N ASP A 42 -2.382 26.715 -5.241 1.00 0.00 N ATOM 619 CA ASP A 42 -3.820 26.895 -5.075 1.00 0.00 C ATOM 620 C ASP A 42 -4.452 25.660 -4.439 1.00 0.00 C ATOM 621 O ASP A 42 -5.220 25.766 -3.484 1.00 0.00 O ATOM 622 CB ASP A 42 -4.479 27.183 -6.425 1.00 0.00 C ATOM 623 CG ASP A 42 -5.875 27.756 -6.277 1.00 0.00 C ATOM 624 OD1 ASP A 42 -6.786 27.001 -5.878 1.00 0.00 O ATOM 625 OD2 ASP A 42 -6.056 28.958 -6.560 1.00 0.00 O ATOM 0 H ASP A 42 -2.007 27.096 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.981 27.746 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.860 27.883 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.527 26.262 -7.006 1.00 0.00 H new ATOM 630 N GLY A 43 -4.123 24.490 -4.978 1.00 0.00 N ATOM 631 CA GLY A 43 -4.668 23.252 -4.452 1.00 0.00 C ATOM 632 C GLY A 43 -4.723 22.153 -5.494 1.00 0.00 C ATOM 633 O GLY A 43 -5.054 22.403 -6.653 1.00 0.00 O ATOM 0 H GLY A 43 -3.489 24.377 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.060 22.920 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.672 23.435 -4.068 1.00 0.00 H new ATOM 637 N SER A 44 -4.395 20.932 -5.083 1.00 0.00 N ATOM 638 CA SER A 44 -4.403 19.792 -5.991 1.00 0.00 C ATOM 639 C SER A 44 -5.364 18.713 -5.500 1.00 0.00 C ATOM 640 O SER A 44 -5.723 18.675 -4.323 1.00 0.00 O ATOM 641 CB SER A 44 -2.994 19.212 -6.127 1.00 0.00 C ATOM 642 OG SER A 44 -2.589 18.570 -4.930 1.00 0.00 O ATOM 0 H SER A 44 -4.120 20.707 -4.127 1.00 0.00 H new ATOM 0 HA SER A 44 -4.742 20.139 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.969 18.500 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.291 20.009 -6.372 1.00 0.00 H new ATOM 0 HG SER A 44 -1.761 18.072 -5.090 1.00 0.00 H new ATOM 648 N ASP A 45 -5.776 17.838 -6.411 1.00 0.00 N ATOM 649 CA ASP A 45 -6.695 16.758 -6.073 1.00 0.00 C ATOM 650 C ASP A 45 -5.976 15.412 -6.075 1.00 0.00 C ATOM 651 O ASP A 45 -6.027 14.655 -7.044 1.00 0.00 O ATOM 652 CB ASP A 45 -7.865 16.726 -7.058 1.00 0.00 C ATOM 653 CG ASP A 45 -8.217 18.104 -7.582 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.057 19.086 -6.826 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.653 18.202 -8.748 1.00 0.00 O ATOM 0 H ASP A 45 -5.488 17.856 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.080 16.943 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.614 16.075 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.737 16.293 -6.568 1.00 0.00 H new ATOM 660 N PRO A 46 -5.287 15.107 -4.965 1.00 0.00 N ATOM 661 CA PRO A 46 -4.543 13.853 -4.814 1.00 0.00 C ATOM 662 C PRO A 46 -5.464 12.644 -4.693 1.00 0.00 C ATOM 663 O PRO A 46 -6.487 12.697 -4.010 1.00 0.00 O ATOM 664 CB PRO A 46 -3.758 14.060 -3.517 1.00 0.00 C ATOM 665 CG PRO A 46 -4.553 15.058 -2.748 1.00 0.00 C ATOM 666 CD PRO A 46 -5.182 15.963 -3.771 1.00 0.00 C ATOM 0 HA PRO A 46 -3.914 13.645 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.654 13.126 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.751 14.426 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.314 14.567 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.917 15.622 -2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.159 16.320 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.568 16.843 -3.960 1.00 0.00 H new ATOM 674 N TYR A 47 -5.095 11.556 -5.359 1.00 0.00 N ATOM 675 CA TYR A 47 -5.890 10.334 -5.327 1.00 0.00 C ATOM 676 C TYR A 47 -5.027 9.115 -5.638 1.00 0.00 C ATOM 677 O TYR A 47 -4.206 9.138 -6.555 1.00 0.00 O ATOM 678 CB TYR A 47 -7.044 10.424 -6.328 1.00 0.00 C ATOM 679 CG TYR A 47 -6.684 9.934 -7.712 1.00 0.00 C ATOM 680 CD1 TYR A 47 -6.007 10.754 -8.607 1.00 0.00 C ATOM 681 CD2 TYR A 47 -7.021 8.651 -8.125 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.678 10.310 -9.873 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.694 8.198 -9.389 1.00 0.00 C ATOM 684 CZ TYR A 47 -6.023 9.032 -10.259 1.00 0.00 C ATOM 685 OH TYR A 47 -5.696 8.586 -11.519 1.00 0.00 O ATOM 0 H TYR A 47 -4.250 11.495 -5.928 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.297 10.222 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.886 9.842 -5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.377 11.460 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.734 11.755 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.548 7.996 -7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.153 10.961 -10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.962 7.197 -9.694 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.876 9.029 -11.820 1.00 0.00 H new ATOM 695 N VAL A 48 -5.220 8.049 -4.867 1.00 0.00 N ATOM 696 CA VAL A 48 -4.462 6.819 -5.059 1.00 0.00 C ATOM 697 C VAL A 48 -5.155 5.896 -6.056 1.00 0.00 C ATOM 698 O VAL A 48 -6.381 5.898 -6.171 1.00 0.00 O ATOM 699 CB VAL A 48 -4.267 6.066 -3.730 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.637 4.703 -3.975 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.420 6.889 -2.771 1.00 0.00 C ATOM 0 H VAL A 48 -5.895 8.013 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.487 7.107 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.245 5.911 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.507 4.186 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.286 4.114 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.666 4.832 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.292 6.342 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.444 7.077 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.916 7.838 -2.570 1.00 0.00 H new ATOM 711 N ARG A 49 -4.362 5.108 -6.775 1.00 0.00 N ATOM 712 CA ARG A 49 -4.899 4.180 -7.763 1.00 0.00 C ATOM 713 C ARG A 49 -4.198 2.828 -7.676 1.00 0.00 C ATOM 714 O ARG A 49 -2.973 2.758 -7.581 1.00 0.00 O ATOM 715 CB ARG A 49 -4.746 4.757 -9.171 1.00 0.00 C ATOM 716 CG ARG A 49 -5.744 4.195 -10.171 1.00 0.00 C ATOM 717 CD ARG A 49 -5.534 4.783 -11.558 1.00 0.00 C ATOM 718 NE ARG A 49 -6.770 4.809 -12.334 1.00 0.00 N ATOM 719 CZ ARG A 49 -6.968 5.610 -13.376 1.00 0.00 C ATOM 720 NH1 ARG A 49 -6.014 6.446 -13.764 1.00 0.00 N ATOM 721 NH2 ARG A 49 -8.121 5.575 -14.032 1.00 0.00 N ATOM 0 H ARG A 49 -3.346 5.094 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.958 4.034 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.861 5.840 -9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.735 4.558 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.645 3.110 -10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.758 4.409 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.142 5.796 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.784 4.198 -12.090 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.523 4.178 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.126 6.475 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.168 7.060 -14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.856 4.933 -13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.272 6.190 -14.831 1.00 0.00 H new ATOM 735 N MET A 50 -4.984 1.757 -7.709 1.00 0.00 N ATOM 736 CA MET A 50 -4.438 0.406 -7.635 1.00 0.00 C ATOM 737 C MET A 50 -4.789 -0.391 -8.887 1.00 0.00 C ATOM 738 O MET A 50 -5.913 -0.323 -9.384 1.00 0.00 O ATOM 739 CB MET A 50 -4.968 -0.313 -6.393 1.00 0.00 C ATOM 740 CG MET A 50 -4.290 0.120 -5.103 1.00 0.00 C ATOM 741 SD MET A 50 -4.578 -1.031 -3.746 1.00 0.00 S ATOM 742 CE MET A 50 -6.290 -0.675 -3.358 1.00 0.00 C ATOM 0 H MET A 50 -6.000 1.798 -7.786 1.00 0.00 H new ATOM 0 HA MET A 50 -3.353 0.482 -7.567 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.040 -0.133 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.835 -1.387 -6.521 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.218 0.212 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.654 1.108 -4.820 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.368 -0.353 -2.320 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.654 0.117 -4.012 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.891 -1.572 -3.506 1.00 0.00 H new ATOM 752 N TYR A 51 -3.819 -1.146 -9.392 1.00 0.00 N ATOM 753 CA TYR A 51 -4.025 -1.954 -10.589 1.00 0.00 C ATOM 754 C TYR A 51 -3.179 -3.222 -10.541 1.00 0.00 C ATOM 755 O TYR A 51 -1.949 -3.165 -10.584 1.00 0.00 O ATOM 756 CB TYR A 51 -3.681 -1.145 -11.841 1.00 0.00 C ATOM 757 CG TYR A 51 -4.853 -0.373 -12.403 1.00 0.00 C ATOM 758 CD1 TYR A 51 -6.005 -1.027 -12.823 1.00 0.00 C ATOM 759 CD2 TYR A 51 -4.808 1.012 -12.514 1.00 0.00 C ATOM 760 CE1 TYR A 51 -7.077 -0.325 -13.338 1.00 0.00 C ATOM 761 CE2 TYR A 51 -5.876 1.722 -13.027 1.00 0.00 C ATOM 762 CZ TYR A 51 -7.008 1.049 -13.438 1.00 0.00 C ATOM 763 OH TYR A 51 -8.075 1.752 -13.949 1.00 0.00 O ATOM 0 H TYR A 51 -2.883 -1.215 -8.992 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.076 -2.241 -10.627 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.878 -0.448 -11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.301 -1.821 -12.607 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.063 -2.103 -12.745 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.923 1.542 -12.194 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.965 -0.849 -13.661 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.825 2.798 -13.106 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.866 2.709 -13.950 1.00 0.00 H new ATOM 773 N LEU A 52 -3.847 -4.367 -10.452 1.00 0.00 N ATOM 774 CA LEU A 52 -3.158 -5.652 -10.399 1.00 0.00 C ATOM 775 C LEU A 52 -2.546 -5.999 -11.752 1.00 0.00 C ATOM 776 O LEU A 52 -3.179 -6.654 -12.582 1.00 0.00 O ATOM 777 CB LEU A 52 -4.127 -6.755 -9.967 1.00 0.00 C ATOM 778 CG LEU A 52 -3.494 -8.093 -9.585 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.680 -7.954 -8.308 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.564 -9.163 -9.423 1.00 0.00 C ATOM 0 H LEU A 52 -4.864 -4.432 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.354 -5.575 -9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.703 -6.392 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.833 -6.929 -10.779 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.823 -8.397 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.237 -8.917 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.889 -7.219 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.330 -7.626 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.095 -10.109 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.261 -8.865 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.104 -9.283 -10.362 1.00 0.00 H new ATOM 792 N LEU A 53 -1.312 -5.557 -11.968 1.00 0.00 N ATOM 793 CA LEU A 53 -0.613 -5.822 -13.221 1.00 0.00 C ATOM 794 C LEU A 53 -0.405 -7.320 -13.422 1.00 0.00 C ATOM 795 O LEU A 53 -0.311 -8.092 -12.468 1.00 0.00 O ATOM 796 CB LEU A 53 0.736 -5.102 -13.237 1.00 0.00 C ATOM 797 CG LEU A 53 0.683 -3.576 -13.154 1.00 0.00 C ATOM 798 CD1 LEU A 53 2.081 -3.002 -12.980 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.018 -2.997 -14.395 1.00 0.00 C ATOM 0 H LEU A 53 -0.775 -5.014 -11.292 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.228 -5.446 -14.038 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.332 -5.471 -12.402 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.262 -5.378 -14.151 1.00 0.00 H new ATOM 0 HG LEU A 53 0.088 -3.299 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.024 -1.915 -12.923 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.522 -3.391 -12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.700 -3.288 -13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.011 -1.910 -14.319 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.587 -3.284 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.998 -3.382 -14.476 1.00 0.00 H new ATOM 811 N PRO A 54 -0.329 -7.741 -14.693 1.00 0.00 N ATOM 812 CA PRO A 54 -0.440 -6.831 -15.837 1.00 0.00 C ATOM 813 C PRO A 54 -1.851 -6.277 -16.002 1.00 0.00 C ATOM 814 O PRO A 54 -2.034 -5.094 -16.288 1.00 0.00 O ATOM 815 CB PRO A 54 -0.070 -7.715 -17.031 1.00 0.00 C ATOM 816 CG PRO A 54 -0.395 -9.101 -16.591 1.00 0.00 C ATOM 817 CD PRO A 54 -0.130 -9.139 -15.112 1.00 0.00 C ATOM 0 HA PRO A 54 0.198 -5.955 -15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.638 -7.438 -17.919 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.986 -7.617 -17.284 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.435 -9.345 -16.807 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.220 -9.832 -17.116 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.815 -9.814 -14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.881 -9.484 -14.894 1.00 0.00 H new ATOM 825 N ASP A 55 -2.845 -7.139 -15.820 1.00 0.00 N ATOM 826 CA ASP A 55 -4.241 -6.735 -15.947 1.00 0.00 C ATOM 827 C ASP A 55 -4.493 -5.417 -15.221 1.00 0.00 C ATOM 828 O ASP A 55 -4.672 -5.391 -14.004 1.00 0.00 O ATOM 829 CB ASP A 55 -5.162 -7.822 -15.391 1.00 0.00 C ATOM 830 CG ASP A 55 -4.840 -9.195 -15.949 1.00 0.00 C ATOM 831 OD1 ASP A 55 -3.792 -9.759 -15.570 1.00 0.00 O ATOM 832 OD2 ASP A 55 -5.636 -9.704 -16.765 1.00 0.00 O ATOM 0 H ASP A 55 -2.710 -8.122 -15.584 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.458 -6.593 -17.006 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.077 -7.845 -14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.197 -7.572 -15.624 1.00 0.00 H new ATOM 837 N LYS A 56 -4.505 -4.324 -15.977 1.00 0.00 N ATOM 838 CA LYS A 56 -4.735 -3.002 -15.407 1.00 0.00 C ATOM 839 C LYS A 56 -5.845 -2.272 -16.157 1.00 0.00 C ATOM 840 O LYS A 56 -5.956 -1.048 -16.083 1.00 0.00 O ATOM 841 CB LYS A 56 -3.448 -2.175 -15.448 1.00 0.00 C ATOM 842 CG LYS A 56 -3.057 -1.728 -16.846 1.00 0.00 C ATOM 843 CD LYS A 56 -2.292 -0.415 -16.818 1.00 0.00 C ATOM 844 CE LYS A 56 -0.797 -0.645 -16.661 1.00 0.00 C ATOM 845 NZ LYS A 56 -0.011 0.579 -16.981 1.00 0.00 N ATOM 0 H LYS A 56 -4.358 -4.328 -16.986 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.044 -3.130 -14.370 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.571 -1.296 -14.815 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.635 -2.763 -15.023 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.445 -2.497 -17.317 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.953 -1.615 -17.457 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.482 0.138 -17.738 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.655 0.201 -15.996 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.583 -0.957 -15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.484 -1.459 -17.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.003 0.381 -16.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.195 0.863 -17.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.291 1.349 -16.340 1.00 0.00 H new ATOM 859 N ARG A 57 -6.665 -3.031 -16.877 1.00 0.00 N ATOM 860 CA ARG A 57 -7.766 -2.456 -17.640 1.00 0.00 C ATOM 861 C ARG A 57 -8.880 -1.979 -16.712 1.00 0.00 C ATOM 862 O ARG A 57 -8.757 -2.056 -15.489 1.00 0.00 O ATOM 863 CB ARG A 57 -8.318 -3.482 -18.631 1.00 0.00 C ATOM 864 CG ARG A 57 -7.629 -3.452 -19.986 1.00 0.00 C ATOM 865 CD ARG A 57 -8.362 -4.312 -21.003 1.00 0.00 C ATOM 866 NE ARG A 57 -9.547 -3.643 -21.534 1.00 0.00 N ATOM 867 CZ ARG A 57 -10.437 -4.239 -22.320 1.00 0.00 C ATOM 868 NH1 ARG A 57 -10.278 -5.510 -22.663 1.00 0.00 N ATOM 869 NH2 ARG A 57 -11.490 -3.563 -22.763 1.00 0.00 N ATOM 0 H ARG A 57 -6.587 -4.046 -16.948 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.383 -1.597 -18.192 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.216 -4.479 -18.203 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.384 -3.303 -18.771 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.578 -2.425 -20.346 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.603 -3.805 -19.882 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.687 -4.558 -21.823 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.655 -5.253 -20.538 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.699 -2.665 -21.288 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.471 -6.033 -22.323 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.963 -5.965 -23.267 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.616 -2.586 -22.500 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.173 -4.021 -23.366 1.00 0.00 H new ATOM 883 N ARG A 58 -9.964 -1.487 -17.302 1.00 0.00 N ATOM 884 CA ARG A 58 -11.098 -0.996 -16.528 1.00 0.00 C ATOM 885 C ARG A 58 -11.717 -2.118 -15.699 1.00 0.00 C ATOM 886 O ARG A 58 -11.973 -1.953 -14.506 1.00 0.00 O ATOM 887 CB ARG A 58 -12.153 -0.392 -17.457 1.00 0.00 C ATOM 888 CG ARG A 58 -11.724 0.919 -18.094 1.00 0.00 C ATOM 889 CD ARG A 58 -12.464 1.173 -19.398 1.00 0.00 C ATOM 890 NE ARG A 58 -11.809 0.529 -20.533 1.00 0.00 N ATOM 891 CZ ARG A 58 -11.962 0.925 -21.792 1.00 0.00 C ATOM 892 NH1 ARG A 58 -12.743 1.958 -22.075 1.00 0.00 N ATOM 893 NH2 ARG A 58 -11.332 0.287 -22.771 1.00 0.00 N ATOM 0 H ARG A 58 -10.081 -1.418 -18.313 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.736 -0.224 -15.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.386 -1.110 -18.244 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.071 -0.229 -16.893 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.912 1.740 -17.402 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.650 0.900 -18.281 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.486 0.804 -19.312 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.526 2.246 -19.576 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.201 -0.269 -20.349 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.228 2.451 -21.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.859 2.260 -23.042 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.730 -0.508 -22.557 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.450 0.592 -23.737 1.00 0.00 H new ATOM 907 N SER A 59 -11.956 -3.258 -16.340 1.00 0.00 N ATOM 908 CA SER A 59 -12.549 -4.405 -15.663 1.00 0.00 C ATOM 909 C SER A 59 -12.070 -4.490 -14.217 1.00 0.00 C ATOM 910 O SER A 59 -12.873 -4.524 -13.286 1.00 0.00 O ATOM 911 CB SER A 59 -12.200 -5.697 -16.404 1.00 0.00 C ATOM 912 OG SER A 59 -12.960 -6.788 -15.913 1.00 0.00 O ATOM 0 H SER A 59 -11.748 -3.412 -17.327 1.00 0.00 H new ATOM 0 HA SER A 59 -13.631 -4.275 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.387 -5.570 -17.470 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.137 -5.910 -16.290 1.00 0.00 H new ATOM 0 HG SER A 59 -12.720 -7.601 -16.404 1.00 0.00 H new ATOM 918 N GLY A 60 -10.753 -4.524 -14.037 1.00 0.00 N ATOM 919 CA GLY A 60 -10.188 -4.605 -12.702 1.00 0.00 C ATOM 920 C GLY A 60 -9.751 -3.253 -12.175 1.00 0.00 C ATOM 921 O GLY A 60 -8.658 -3.117 -11.624 1.00 0.00 O ATOM 0 H GLY A 60 -10.067 -4.497 -14.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.925 -5.035 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.333 -5.281 -12.713 1.00 0.00 H new ATOM 925 N ARG A 61 -10.605 -2.249 -12.344 1.00 0.00 N ATOM 926 CA ARG A 61 -10.300 -0.900 -11.884 1.00 0.00 C ATOM 927 C ARG A 61 -10.593 -0.755 -10.393 1.00 0.00 C ATOM 928 O ARG A 61 -11.747 -0.819 -9.968 1.00 0.00 O ATOM 929 CB ARG A 61 -11.110 0.128 -12.676 1.00 0.00 C ATOM 930 CG ARG A 61 -11.058 1.529 -12.088 1.00 0.00 C ATOM 931 CD ARG A 61 -12.232 2.374 -12.557 1.00 0.00 C ATOM 932 NE ARG A 61 -13.390 2.240 -11.676 1.00 0.00 N ATOM 933 CZ ARG A 61 -14.354 3.149 -11.586 1.00 0.00 C ATOM 934 NH1 ARG A 61 -14.300 4.252 -12.319 1.00 0.00 N ATOM 935 NH2 ARG A 61 -15.375 2.955 -10.762 1.00 0.00 N ATOM 0 H ARG A 61 -11.514 -2.345 -12.796 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.238 -0.719 -12.048 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.739 0.159 -13.700 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.149 -0.199 -12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.064 1.468 -11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.124 2.011 -12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.930 3.420 -12.602 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.510 2.078 -13.569 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.462 1.402 -11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.517 4.404 -12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.042 4.948 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.420 2.107 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.115 3.654 -10.693 1.00 0.00 H new ATOM 949 N ARG A 62 -9.541 -0.560 -9.605 1.00 0.00 N ATOM 950 CA ARG A 62 -9.685 -0.408 -8.162 1.00 0.00 C ATOM 951 C ARG A 62 -8.830 0.747 -7.649 1.00 0.00 C ATOM 952 O ARG A 62 -7.600 0.677 -7.663 1.00 0.00 O ATOM 953 CB ARG A 62 -9.292 -1.704 -7.450 1.00 0.00 C ATOM 954 CG ARG A 62 -10.030 -1.926 -6.140 1.00 0.00 C ATOM 955 CD ARG A 62 -11.460 -2.387 -6.377 1.00 0.00 C ATOM 956 NE ARG A 62 -11.540 -3.826 -6.608 1.00 0.00 N ATOM 957 CZ ARG A 62 -12.673 -4.517 -6.556 1.00 0.00 C ATOM 958 NH1 ARG A 62 -13.816 -3.903 -6.282 1.00 0.00 N ATOM 959 NH2 ARG A 62 -12.665 -5.825 -6.778 1.00 0.00 N ATOM 0 H ARG A 62 -8.580 -0.504 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.730 -0.186 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.486 -2.547 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.220 -1.691 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.501 -2.670 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.036 -1.001 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.073 -2.124 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.874 -1.858 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.678 -4.329 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.826 -2.898 -6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.685 -4.436 -6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.788 -6.301 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.536 -6.354 -6.738 1.00 0.00 H new ATOM 973 N LYS A 63 -9.488 1.808 -7.197 1.00 0.00 N ATOM 974 CA LYS A 63 -8.790 2.979 -6.678 1.00 0.00 C ATOM 975 C LYS A 63 -9.611 3.664 -5.591 1.00 0.00 C ATOM 976 O LYS A 63 -10.790 3.362 -5.405 1.00 0.00 O ATOM 977 CB LYS A 63 -8.496 3.966 -7.810 1.00 0.00 C ATOM 978 CG LYS A 63 -9.743 4.605 -8.398 1.00 0.00 C ATOM 979 CD LYS A 63 -9.402 5.828 -9.233 1.00 0.00 C ATOM 980 CE LYS A 63 -10.544 6.832 -9.243 1.00 0.00 C ATOM 981 NZ LYS A 63 -10.676 7.536 -7.937 1.00 0.00 N ATOM 0 H LYS A 63 -10.505 1.882 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.848 2.646 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.838 4.750 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.955 3.447 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.269 3.877 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.421 4.890 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.504 6.301 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.177 5.521 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.378 7.563 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.477 6.318 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.674 7.540 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.106 7.045 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.341 8.516 -8.035 1.00 0.00 H new ATOM 995 N THR A 64 -8.980 4.591 -4.875 1.00 0.00 N ATOM 996 CA THR A 64 -9.652 5.320 -3.807 1.00 0.00 C ATOM 997 C THR A 64 -10.162 6.670 -4.299 1.00 0.00 C ATOM 998 O THR A 64 -9.674 7.203 -5.296 1.00 0.00 O ATOM 999 CB THR A 64 -8.716 5.544 -2.605 1.00 0.00 C ATOM 1000 OG1 THR A 64 -7.669 6.454 -2.962 1.00 0.00 O ATOM 1001 CG2 THR A 64 -8.113 4.228 -2.136 1.00 0.00 C ATOM 0 H THR A 64 -8.005 4.854 -5.016 1.00 0.00 H new ATOM 0 HA THR A 64 -10.497 4.709 -3.490 1.00 0.00 H new ATOM 0 HB THR A 64 -9.303 5.968 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.641 7.190 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.455 4.411 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.911 3.548 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.540 3.780 -2.948 1.00 0.00 H new ATOM 1009 N HIS A 65 -11.145 7.219 -3.592 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.720 8.509 -3.957 1.00 0.00 C ATOM 1011 C HIS A 65 -10.640 9.584 -4.028 1.00 0.00 C ATOM 1012 O HIS A 65 -9.570 9.444 -3.435 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.795 8.915 -2.948 1.00 0.00 C ATOM 1014 CG HIS A 65 -13.978 7.997 -2.931 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -14.034 6.857 -2.157 1.00 0.00 N ATOM 1016 CD2 HIS A 65 -15.154 8.055 -3.598 1.00 0.00 C ATOM 1017 CE1 HIS A 65 -15.193 6.254 -2.349 1.00 0.00 C ATOM 1018 NE2 HIS A 65 -15.892 6.961 -3.219 1.00 0.00 N ATOM 0 H HIS A 65 -11.560 6.791 -2.764 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.176 8.411 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.354 8.944 -1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.133 9.926 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.456 8.820 -4.298 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.515 5.338 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.828 6.732 -3.554 1.00 0.00 H new ATOM 1026 N VAL A 66 -10.927 10.658 -4.758 1.00 0.00 N ATOM 1027 CA VAL A 66 -9.981 11.757 -4.907 1.00 0.00 C ATOM 1028 C VAL A 66 -10.406 12.964 -4.078 1.00 0.00 C ATOM 1029 O VAL A 66 -11.483 13.523 -4.284 1.00 0.00 O ATOM 1030 CB VAL A 66 -9.843 12.183 -6.380 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -11.212 12.318 -7.028 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -9.063 13.485 -6.487 1.00 0.00 C ATOM 0 H VAL A 66 -11.808 10.790 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.017 11.395 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.290 11.410 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -11.094 12.620 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.731 11.361 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.794 13.071 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.975 13.771 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.586 14.269 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.068 13.349 -6.063 1.00 0.00 H new ATOM 1042 N SER A 67 -9.553 13.360 -3.139 1.00 0.00 N ATOM 1043 CA SER A 67 -9.841 14.499 -2.275 1.00 0.00 C ATOM 1044 C SER A 67 -9.305 15.791 -2.884 1.00 0.00 C ATOM 1045 O SER A 67 -8.322 15.782 -3.625 1.00 0.00 O ATOM 1046 CB SER A 67 -9.230 14.283 -0.889 1.00 0.00 C ATOM 1047 OG SER A 67 -9.920 15.034 0.095 1.00 0.00 O ATOM 0 H SER A 67 -8.656 12.909 -2.957 1.00 0.00 H new ATOM 0 HA SER A 67 -10.923 14.585 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.265 13.224 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.179 14.573 -0.902 1.00 0.00 H new ATOM 0 HG SER A 67 -9.667 14.715 0.987 1.00 0.00 H new ATOM 1053 N LYS A 68 -9.959 16.903 -2.566 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.550 18.205 -3.079 1.00 0.00 C ATOM 1055 C LYS A 68 -9.138 19.133 -1.941 1.00 0.00 C ATOM 1056 O LYS A 68 -9.514 18.924 -0.787 1.00 0.00 O ATOM 1057 CB LYS A 68 -10.688 18.840 -3.882 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.074 18.049 -5.120 1.00 0.00 C ATOM 1059 CD LYS A 68 -11.920 18.879 -6.071 1.00 0.00 C ATOM 1060 CE LYS A 68 -12.381 18.060 -7.266 1.00 0.00 C ATOM 1061 NZ LYS A 68 -12.820 18.925 -8.395 1.00 0.00 N ATOM 0 H LYS A 68 -10.775 16.928 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.691 18.056 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.562 18.942 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.393 19.846 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.173 17.712 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.626 17.157 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.788 19.270 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.344 19.737 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.569 17.414 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.203 17.410 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.127 18.329 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.612 19.524 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.029 19.527 -8.699 1.00 0.00 H new ATOM 1075 N LYS A 69 -8.363 20.161 -2.272 1.00 0.00 N ATOM 1076 CA LYS A 69 -7.902 21.123 -1.279 1.00 0.00 C ATOM 1077 C LYS A 69 -7.326 20.412 -0.059 1.00 0.00 C ATOM 1078 O LYS A 69 -7.698 20.706 1.078 1.00 0.00 O ATOM 1079 CB LYS A 69 -9.051 22.039 -0.853 1.00 0.00 C ATOM 1080 CG LYS A 69 -9.235 23.245 -1.758 1.00 0.00 C ATOM 1081 CD LYS A 69 -9.996 22.883 -3.023 1.00 0.00 C ATOM 1082 CE LYS A 69 -10.631 24.109 -3.661 1.00 0.00 C ATOM 1083 NZ LYS A 69 -9.665 24.850 -4.519 1.00 0.00 N ATOM 0 H LYS A 69 -8.041 20.349 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.115 21.725 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.976 21.463 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.871 22.384 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.772 24.026 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.260 23.654 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.318 22.411 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.770 22.152 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.489 23.804 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.006 24.771 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.135 25.679 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.858 25.163 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.326 24.226 -5.279 1.00 0.00 H new ATOM 1097 N THR A 70 -6.414 19.476 -0.301 1.00 0.00 N ATOM 1098 CA THR A 70 -5.786 18.723 0.778 1.00 0.00 C ATOM 1099 C THR A 70 -4.554 17.974 0.281 1.00 0.00 C ATOM 1100 O THR A 70 -4.652 17.103 -0.584 1.00 0.00 O ATOM 1101 CB THR A 70 -6.767 17.715 1.405 1.00 0.00 C ATOM 1102 OG1 THR A 70 -6.124 16.998 2.464 1.00 0.00 O ATOM 1103 CG2 THR A 70 -7.278 16.735 0.359 1.00 0.00 C ATOM 0 H THR A 70 -6.093 19.221 -1.235 1.00 0.00 H new ATOM 0 HA THR A 70 -5.487 19.447 1.536 1.00 0.00 H new ATOM 0 HB THR A 70 -7.615 18.269 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.755 16.360 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.969 16.033 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.794 17.282 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.438 16.188 -0.068 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.396 18.317 0.835 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.144 17.676 0.448 1.00 0.00 C ATOM 1113 C LEU A 71 -2.051 16.269 1.030 1.00 0.00 C ATOM 1114 O LEU A 71 -1.556 15.350 0.380 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.954 18.514 0.917 1.00 0.00 C ATOM 1116 CG LEU A 71 -0.771 19.866 0.226 1.00 0.00 C ATOM 1117 CD1 LEU A 71 0.462 20.577 0.761 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.673 19.685 -1.282 1.00 0.00 C ATOM 0 H LEU A 71 -3.298 19.035 1.553 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.122 17.602 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.057 18.687 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.045 17.930 0.774 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.643 20.484 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.576 21.537 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.351 20.740 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.344 19.964 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.543 20.657 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.180 19.049 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.586 19.219 -1.653 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.532 16.109 2.259 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.504 14.814 2.928 1.00 0.00 C ATOM 1132 C ASN A 72 -3.899 14.199 2.982 1.00 0.00 C ATOM 1133 O ASN A 72 -4.642 14.369 3.949 1.00 0.00 O ATOM 1134 CB ASN A 72 -1.944 14.960 4.345 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.653 16.040 5.138 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -2.902 17.135 4.633 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -2.982 15.736 6.388 1.00 0.00 N ATOM 0 H ASN A 72 -2.946 16.860 2.811 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.856 14.151 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.036 14.009 4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.880 15.192 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.461 16.423 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.756 14.816 6.765 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.264 13.467 1.920 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.572 12.811 1.822 1.00 0.00 C ATOM 1146 C PRO A 73 -5.710 11.646 2.797 1.00 0.00 C ATOM 1147 O PRO A 73 -4.715 11.063 3.229 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.609 12.307 0.377 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.178 12.146 -0.004 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.429 13.222 0.732 1.00 0.00 C ATOM 0 HA PRO A 73 -6.388 13.489 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.148 11.363 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.116 13.017 -0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.810 11.157 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.047 12.247 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.425 12.897 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.319 14.121 0.126 1.00 0.00 H new ATOM 1158 N VAL A 74 -6.950 11.310 3.139 1.00 0.00 N ATOM 1159 CA VAL A 74 -7.218 10.213 4.061 1.00 0.00 C ATOM 1160 C VAL A 74 -8.371 9.347 3.565 1.00 0.00 C ATOM 1161 O VAL A 74 -9.462 9.846 3.290 1.00 0.00 O ATOM 1162 CB VAL A 74 -7.552 10.735 5.471 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -7.856 9.577 6.410 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -6.410 11.583 6.010 1.00 0.00 C ATOM 0 H VAL A 74 -7.785 11.782 2.791 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.311 9.611 4.110 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.441 11.363 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.090 9.964 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.709 9.015 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.987 8.921 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.663 11.943 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.503 10.981 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.244 12.433 5.348 1.00 0.00 H new ATOM 1174 N PHE A 75 -8.121 8.047 3.453 1.00 0.00 N ATOM 1175 CA PHE A 75 -9.138 7.111 2.989 1.00 0.00 C ATOM 1176 C PHE A 75 -9.418 6.045 4.045 1.00 0.00 C ATOM 1177 O PHE A 75 -10.565 5.830 4.437 1.00 0.00 O ATOM 1178 CB PHE A 75 -8.694 6.447 1.684 1.00 0.00 C ATOM 1179 CG PHE A 75 -7.816 7.322 0.835 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -8.357 8.366 0.102 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -6.450 7.101 0.771 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -7.552 9.173 -0.680 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -5.640 7.905 -0.008 1.00 0.00 C ATOM 1184 CZ PHE A 75 -6.191 8.942 -0.735 1.00 0.00 C ATOM 0 H PHE A 75 -7.223 7.618 3.677 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.056 7.671 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.159 5.527 1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.577 6.166 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.420 8.551 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.013 6.291 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.986 9.983 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.576 7.723 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.559 9.571 -1.345 1.00 0.00 H new ATOM 1194 N ASP A 76 -8.361 5.380 4.500 1.00 0.00 N ATOM 1195 CA ASP A 76 -8.492 4.336 5.510 1.00 0.00 C ATOM 1196 C ASP A 76 -9.398 3.213 5.017 1.00 0.00 C ATOM 1197 O ASP A 76 -10.206 2.677 5.775 1.00 0.00 O ATOM 1198 CB ASP A 76 -9.046 4.922 6.810 1.00 0.00 C ATOM 1199 CG ASP A 76 -7.951 5.418 7.734 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -7.467 6.550 7.527 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -7.579 4.674 8.665 1.00 0.00 O ATOM 0 H ASP A 76 -7.405 5.545 4.186 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.502 3.922 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.720 5.746 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.636 4.164 7.325 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.258 2.863 3.742 1.00 0.00 N ATOM 1207 CA GLN A 77 -10.065 1.804 3.148 1.00 0.00 C ATOM 1208 C GLN A 77 -9.199 0.610 2.761 1.00 0.00 C ATOM 1209 O GLN A 77 -7.995 0.749 2.544 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.809 2.329 1.919 1.00 0.00 C ATOM 1211 CG GLN A 77 -12.152 2.963 2.245 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.826 3.563 1.027 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -13.965 3.226 0.704 1.00 0.00 O ATOM 1214 NE2 GLN A 77 -12.123 4.458 0.343 1.00 0.00 N ATOM 0 H GLN A 77 -8.594 3.297 3.101 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.792 1.476 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.183 3.064 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.965 1.507 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.807 2.211 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.010 3.740 2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.182 4.708 0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.524 4.896 -0.486 1.00 0.00 H new ATOM 1223 N SER A 78 -9.819 -0.562 2.676 1.00 0.00 N ATOM 1224 CA SER A 78 -9.103 -1.782 2.319 1.00 0.00 C ATOM 1225 C SER A 78 -9.780 -2.485 1.146 1.00 0.00 C ATOM 1226 O SER A 78 -11.006 -2.581 1.089 1.00 0.00 O ATOM 1227 CB SER A 78 -9.029 -2.725 3.521 1.00 0.00 C ATOM 1228 OG SER A 78 -8.404 -3.948 3.171 1.00 0.00 O ATOM 0 H SER A 78 -10.816 -0.693 2.849 1.00 0.00 H new ATOM 0 HA SER A 78 -8.092 -1.507 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.474 -2.247 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.033 -2.920 3.896 1.00 0.00 H new ATOM 0 HG SER A 78 -8.367 -4.533 3.956 1.00 0.00 H new ATOM 1234 N PHE A 79 -8.971 -2.976 0.213 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.491 -3.671 -0.960 1.00 0.00 C ATOM 1236 C PHE A 79 -9.062 -5.135 -0.958 1.00 0.00 C ATOM 1237 O PHE A 79 -8.189 -5.537 -0.189 1.00 0.00 O ATOM 1238 CB PHE A 79 -9.006 -2.987 -2.240 1.00 0.00 C ATOM 1239 CG PHE A 79 -9.314 -1.518 -2.288 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.671 -0.633 -1.438 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -10.246 -1.021 -3.185 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -8.953 0.719 -1.480 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -10.533 0.330 -3.232 1.00 0.00 C ATOM 1244 CZ PHE A 79 -9.884 1.202 -2.379 1.00 0.00 C ATOM 0 H PHE A 79 -7.954 -2.906 0.246 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.580 -3.630 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.929 -3.127 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.466 -3.475 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.941 -1.004 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.754 -1.698 -3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.446 1.398 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.263 0.704 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.104 2.259 -2.415 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.684 -5.928 -1.825 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.367 -7.348 -1.925 1.00 0.00 C ATOM 1256 C ASP A 80 -9.480 -7.829 -3.368 1.00 0.00 C ATOM 1257 O ASP A 80 -10.285 -7.314 -4.144 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.299 -8.164 -1.028 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.669 -7.531 -0.887 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -11.788 -6.533 -0.145 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -12.623 -8.032 -1.519 1.00 0.00 O ATOM 0 H ASP A 80 -10.410 -5.611 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.339 -7.490 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.407 -9.168 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.848 -8.270 -0.041 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.667 -8.820 -3.721 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.674 -9.369 -5.072 1.00 0.00 C ATOM 1268 C PHE A 81 -8.448 -10.878 -5.046 1.00 0.00 C ATOM 1269 O PHE A 81 -7.513 -11.366 -4.412 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.598 -8.695 -5.925 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.550 -7.203 -5.761 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -6.771 -6.627 -4.770 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -8.283 -6.377 -6.597 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -6.725 -5.254 -4.616 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -8.241 -5.003 -6.448 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.461 -4.441 -5.457 1.00 0.00 C ATOM 0 H PHE A 81 -7.996 -9.259 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.652 -9.173 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.625 -9.112 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.776 -8.932 -6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.193 -7.258 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.894 -6.811 -7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.115 -4.817 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.818 -4.370 -7.106 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.426 -3.368 -5.339 1.00 0.00 H new ATOM 1286 N SER A 82 -9.312 -11.612 -5.740 1.00 0.00 N ATOM 1287 CA SER A 82 -9.211 -13.066 -5.794 1.00 0.00 C ATOM 1288 C SER A 82 -8.037 -13.496 -6.668 1.00 0.00 C ATOM 1289 O SER A 82 -8.177 -13.659 -7.880 1.00 0.00 O ATOM 1290 CB SER A 82 -10.510 -13.669 -6.331 1.00 0.00 C ATOM 1291 OG SER A 82 -10.848 -13.113 -7.590 1.00 0.00 O ATOM 0 H SER A 82 -10.090 -11.224 -6.273 1.00 0.00 H new ATOM 0 HA SER A 82 -9.041 -13.432 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.402 -14.750 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.318 -13.490 -5.622 1.00 0.00 H new ATOM 0 HG SER A 82 -10.060 -13.121 -8.173 1.00 0.00 H new ATOM 1297 N VAL A 83 -6.878 -13.679 -6.043 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.678 -14.091 -6.762 1.00 0.00 C ATOM 1299 C VAL A 83 -4.834 -15.044 -5.922 1.00 0.00 C ATOM 1300 O VAL A 83 -4.581 -14.791 -4.744 1.00 0.00 O ATOM 1301 CB VAL A 83 -4.818 -12.878 -7.162 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.384 -12.101 -5.928 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.611 -13.324 -7.973 1.00 0.00 C ATOM 0 H VAL A 83 -6.745 -13.548 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.011 -14.604 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.421 -12.217 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.777 -11.247 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.265 -11.748 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.798 -12.750 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.015 -12.454 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.005 -14.006 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.947 -13.832 -8.877 1.00 0.00 H new ATOM 1313 N SER A 84 -4.401 -16.140 -6.537 1.00 0.00 N ATOM 1314 CA SER A 84 -3.588 -17.133 -5.845 1.00 0.00 C ATOM 1315 C SER A 84 -2.149 -16.648 -5.694 1.00 0.00 C ATOM 1316 O SER A 84 -1.637 -15.915 -6.541 1.00 0.00 O ATOM 1317 CB SER A 84 -3.613 -18.462 -6.603 1.00 0.00 C ATOM 1318 OG SER A 84 -4.869 -18.670 -7.226 1.00 0.00 O ATOM 0 H SER A 84 -4.600 -16.363 -7.512 1.00 0.00 H new ATOM 0 HA SER A 84 -4.009 -17.282 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.824 -18.470 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.405 -19.281 -5.914 1.00 0.00 H new ATOM 0 HG SER A 84 -4.859 -19.525 -7.705 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.503 -17.061 -4.610 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.122 -16.670 -4.346 1.00 0.00 C ATOM 1326 C LEU A 85 0.767 -16.965 -5.550 1.00 0.00 C ATOM 1327 O LEU A 85 1.592 -16.147 -5.959 1.00 0.00 O ATOM 1328 CB LEU A 85 0.410 -17.402 -3.113 1.00 0.00 C ATOM 1329 CG LEU A 85 1.931 -17.496 -2.993 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.490 -18.459 -4.029 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.564 -16.120 -3.144 1.00 0.00 C ATOM 0 H LEU A 85 -1.913 -17.667 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.104 -15.596 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.026 -16.902 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.002 -18.413 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 85 2.175 -17.879 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.574 -18.513 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.062 -19.449 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.236 -18.106 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.647 -16.206 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.311 -15.708 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.188 -15.459 -2.363 1.00 0.00 H new ATOM 1343 N PRO A 86 0.596 -18.160 -6.134 1.00 0.00 N ATOM 1344 CA PRO A 86 1.372 -18.590 -7.301 1.00 0.00 C ATOM 1345 C PRO A 86 1.418 -17.524 -8.390 1.00 0.00 C ATOM 1346 O PRO A 86 2.463 -17.287 -8.995 1.00 0.00 O ATOM 1347 CB PRO A 86 0.616 -19.826 -7.794 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.073 -20.356 -6.584 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.369 -19.184 -5.699 1.00 0.00 C ATOM 0 HA PRO A 86 2.414 -18.784 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.099 -19.567 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.297 -20.564 -8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.992 -20.873 -6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.557 -21.080 -6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.397 -18.842 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.238 -19.435 -4.646 1.00 0.00 H new ATOM 1357 N GLU A 87 0.278 -16.884 -8.635 1.00 0.00 N ATOM 1358 CA GLU A 87 0.191 -15.844 -9.653 1.00 0.00 C ATOM 1359 C GLU A 87 0.680 -14.506 -9.107 1.00 0.00 C ATOM 1360 O GLU A 87 1.660 -13.944 -9.596 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.250 -15.707 -10.151 1.00 0.00 C ATOM 1362 CG GLU A 87 -1.665 -16.802 -11.119 1.00 0.00 C ATOM 1363 CD GLU A 87 -1.224 -18.180 -10.665 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -1.893 -18.758 -9.783 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -0.208 -18.681 -11.193 1.00 0.00 O ATOM 0 H GLU A 87 -0.596 -17.068 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 87 0.831 -16.133 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.924 -15.716 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.367 -14.739 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.749 -16.790 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.240 -16.594 -12.101 1.00 0.00 H new ATOM 1372 N VAL A 88 -0.009 -14.001 -8.089 1.00 0.00 N ATOM 1373 CA VAL A 88 0.355 -12.729 -7.475 1.00 0.00 C ATOM 1374 C VAL A 88 1.869 -12.574 -7.388 1.00 0.00 C ATOM 1375 O VAL A 88 2.388 -11.459 -7.369 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.246 -12.595 -6.063 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.696 -13.186 -5.024 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.552 -11.139 -5.750 1.00 0.00 C ATOM 0 H VAL A 88 -0.823 -14.453 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.052 -11.943 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.181 -13.154 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.255 -13.083 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.860 -14.242 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.649 -12.658 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.976 -11.063 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.367 -10.555 -5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.267 -10.753 -6.477 1.00 0.00 H new ATOM 1388 N GLN A 89 2.572 -13.701 -7.337 1.00 0.00 N ATOM 1389 CA GLN A 89 4.027 -13.690 -7.252 1.00 0.00 C ATOM 1390 C GLN A 89 4.636 -12.946 -8.436 1.00 0.00 C ATOM 1391 O GLN A 89 5.393 -11.992 -8.258 1.00 0.00 O ATOM 1392 CB GLN A 89 4.567 -15.121 -7.202 1.00 0.00 C ATOM 1393 CG GLN A 89 4.588 -15.714 -5.802 1.00 0.00 C ATOM 1394 CD GLN A 89 4.862 -17.206 -5.805 1.00 0.00 C ATOM 1395 OE1 GLN A 89 4.802 -17.857 -6.848 1.00 0.00 O ATOM 1396 NE2 GLN A 89 5.165 -17.754 -4.634 1.00 0.00 N ATOM 0 H GLN A 89 2.157 -14.633 -7.353 1.00 0.00 H new ATOM 0 HA GLN A 89 4.308 -13.170 -6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.957 -15.754 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.578 -15.133 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.351 -15.209 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.630 -15.525 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.203 -17.175 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.360 -18.753 -4.574 1.00 0.00 H new ATOM 1405 N ARG A 90 4.300 -13.389 -9.643 1.00 0.00 N ATOM 1406 CA ARG A 90 4.815 -12.765 -10.856 1.00 0.00 C ATOM 1407 C ARG A 90 4.090 -11.453 -11.143 1.00 0.00 C ATOM 1408 O ARG A 90 4.433 -10.736 -12.083 1.00 0.00 O ATOM 1409 CB ARG A 90 4.664 -13.714 -12.046 1.00 0.00 C ATOM 1410 CG ARG A 90 3.231 -13.859 -12.532 1.00 0.00 C ATOM 1411 CD ARG A 90 3.178 -14.300 -13.986 1.00 0.00 C ATOM 1412 NE ARG A 90 1.869 -14.053 -14.585 1.00 0.00 N ATOM 1413 CZ ARG A 90 1.582 -14.313 -15.856 1.00 0.00 C ATOM 1414 NH1 ARG A 90 2.506 -14.824 -16.657 1.00 0.00 N ATOM 1415 NH2 ARG A 90 0.367 -14.060 -16.328 1.00 0.00 N ATOM 0 H ARG A 90 3.674 -14.177 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 90 5.873 -12.550 -10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.283 -13.354 -12.868 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.045 -14.696 -11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.707 -14.585 -11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.710 -12.908 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.942 -13.770 -14.554 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.412 -15.363 -14.051 1.00 0.00 H new ATOM 0 HE ARG A 90 1.135 -13.660 -13.996 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.441 -15.019 -16.298 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.282 -15.022 -17.632 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.346 -13.666 -15.715 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.147 -14.260 -17.304 1.00 0.00 H new ATOM 1429 N ARG A 91 3.087 -11.147 -10.327 1.00 0.00 N ATOM 1430 CA ARG A 91 2.313 -9.923 -10.493 1.00 0.00 C ATOM 1431 C ARG A 91 2.906 -8.787 -9.664 1.00 0.00 C ATOM 1432 O ARG A 91 3.783 -9.006 -8.828 1.00 0.00 O ATOM 1433 CB ARG A 91 0.856 -10.156 -10.090 1.00 0.00 C ATOM 1434 CG ARG A 91 0.178 -11.269 -10.874 1.00 0.00 C ATOM 1435 CD ARG A 91 -1.335 -11.207 -10.734 1.00 0.00 C ATOM 1436 NE ARG A 91 -2.015 -11.750 -11.907 1.00 0.00 N ATOM 1437 CZ ARG A 91 -3.300 -12.086 -11.920 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -4.040 -11.935 -10.830 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -3.848 -12.573 -13.026 1.00 0.00 N ATOM 0 H ARG A 91 2.791 -11.730 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 91 2.351 -9.640 -11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.815 -10.395 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.297 -9.231 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.451 -11.192 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.538 -12.235 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.640 -11.763 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.643 -10.172 -10.583 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.474 -11.878 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.623 -11.560 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.026 -12.194 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.282 -12.690 -13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.835 -12.831 -13.035 1.00 0.00 H new ATOM 1453 N THR A 92 2.421 -7.572 -9.901 1.00 0.00 N ATOM 1454 CA THR A 92 2.903 -6.402 -9.178 1.00 0.00 C ATOM 1455 C THR A 92 1.763 -5.438 -8.871 1.00 0.00 C ATOM 1456 O THR A 92 0.857 -5.253 -9.683 1.00 0.00 O ATOM 1457 CB THR A 92 3.990 -5.657 -9.976 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.072 -6.545 -10.277 1.00 0.00 O ATOM 1459 CG2 THR A 92 4.511 -4.461 -9.194 1.00 0.00 C ATOM 0 H THR A 92 1.694 -7.373 -10.589 1.00 0.00 H new ATOM 0 HA THR A 92 3.332 -6.762 -8.243 1.00 0.00 H new ATOM 0 HB THR A 92 3.546 -5.298 -10.905 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.758 -6.064 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.277 -3.951 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.690 -3.773 -8.992 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.939 -4.801 -8.251 1.00 0.00 H new ATOM 1467 N LEU A 93 1.815 -4.825 -7.693 1.00 0.00 N ATOM 1468 CA LEU A 93 0.786 -3.878 -7.278 1.00 0.00 C ATOM 1469 C LEU A 93 1.097 -2.476 -7.793 1.00 0.00 C ATOM 1470 O LEU A 93 1.938 -1.771 -7.235 1.00 0.00 O ATOM 1471 CB LEU A 93 0.668 -3.859 -5.753 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.691 -3.442 -5.190 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.619 -4.642 -5.092 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.525 -2.781 -3.829 1.00 0.00 C ATOM 0 H LEU A 93 2.558 -4.967 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.163 -4.200 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.904 -4.855 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.426 -3.182 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.138 -2.718 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.581 -4.326 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.764 -5.072 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.178 -5.390 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.503 -2.491 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.056 -3.482 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.103 -1.896 -3.929 1.00 0.00 H new ATOM 1486 N ASP A 94 0.412 -2.078 -8.859 1.00 0.00 N ATOM 1487 CA ASP A 94 0.613 -0.759 -9.448 1.00 0.00 C ATOM 1488 C ASP A 94 0.053 0.332 -8.540 1.00 0.00 C ATOM 1489 O ASP A 94 -1.154 0.572 -8.511 1.00 0.00 O ATOM 1490 CB ASP A 94 -0.051 -0.685 -10.824 1.00 0.00 C ATOM 1491 CG ASP A 94 -0.156 0.737 -11.341 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -0.978 1.505 -10.800 1.00 0.00 O ATOM 1493 OD2 ASP A 94 0.585 1.081 -12.286 1.00 0.00 O ATOM 0 H ASP A 94 -0.287 -2.650 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 94 1.685 -0.598 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.520 -1.285 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.048 -1.122 -10.767 1.00 0.00 H new ATOM 1498 N VAL A 95 0.939 0.990 -7.799 1.00 0.00 N ATOM 1499 CA VAL A 95 0.534 2.056 -6.890 1.00 0.00 C ATOM 1500 C VAL A 95 1.037 3.411 -7.373 1.00 0.00 C ATOM 1501 O VAL A 95 2.200 3.760 -7.172 1.00 0.00 O ATOM 1502 CB VAL A 95 1.056 1.805 -5.463 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.498 2.842 -4.500 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.703 0.397 -5.006 1.00 0.00 C ATOM 0 H VAL A 95 1.942 0.804 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.556 2.062 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 95 2.142 1.898 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.878 2.648 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.806 3.838 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.590 2.784 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.080 0.237 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.380 0.273 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.156 -0.329 -5.681 1.00 0.00 H new ATOM 1514 N ALA A 96 0.153 4.172 -8.010 1.00 0.00 N ATOM 1515 CA ALA A 96 0.508 5.491 -8.519 1.00 0.00 C ATOM 1516 C ALA A 96 -0.370 6.573 -7.900 1.00 0.00 C ATOM 1517 O ALA A 96 -1.586 6.588 -8.095 1.00 0.00 O ATOM 1518 CB ALA A 96 0.391 5.519 -10.036 1.00 0.00 C ATOM 0 H ALA A 96 -0.814 3.898 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 96 1.542 5.695 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.659 6.510 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.064 4.778 -10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.634 5.289 -10.326 1.00 0.00 H new ATOM 1524 N VAL A 97 0.253 7.477 -7.151 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.472 8.563 -6.502 1.00 0.00 C ATOM 1526 C VAL A 97 -0.276 9.878 -7.249 1.00 0.00 C ATOM 1527 O VAL A 97 0.794 10.484 -7.191 1.00 0.00 O ATOM 1528 CB VAL A 97 -0.022 8.744 -5.040 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.851 9.819 -4.355 1.00 0.00 C ATOM 1530 CG2 VAL A 97 -0.116 7.426 -4.287 1.00 0.00 C ATOM 0 H VAL A 97 1.258 7.479 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.528 8.293 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 97 1.020 9.065 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.519 9.933 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.727 10.765 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.902 9.531 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.206 7.572 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.147 7.073 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.526 6.687 -4.766 1.00 0.00 H new ATOM 1540 N LYS A 98 -1.317 10.314 -7.950 1.00 0.00 N ATOM 1541 CA LYS A 98 -1.261 11.558 -8.709 1.00 0.00 C ATOM 1542 C LYS A 98 -2.604 12.280 -8.668 1.00 0.00 C ATOM 1543 O LYS A 98 -3.554 11.808 -8.045 1.00 0.00 O ATOM 1544 CB LYS A 98 -0.865 11.278 -10.160 1.00 0.00 C ATOM 1545 CG LYS A 98 -1.804 10.320 -10.873 1.00 0.00 C ATOM 1546 CD LYS A 98 -1.500 8.874 -10.520 1.00 0.00 C ATOM 1547 CE LYS A 98 -1.892 7.931 -11.647 1.00 0.00 C ATOM 1548 NZ LYS A 98 -0.801 7.781 -12.649 1.00 0.00 N ATOM 0 H LYS A 98 -2.210 9.824 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.508 12.200 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.836 12.220 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.144 10.866 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.835 10.552 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.717 10.458 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.436 8.766 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.036 8.600 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.142 6.954 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.789 8.307 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.182 7.348 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.406 8.716 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.052 7.174 -12.259 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.675 13.426 -9.337 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.903 14.213 -9.377 1.00 0.00 C ATOM 1564 C ASN A 99 -4.910 13.600 -10.346 1.00 0.00 C ATOM 1565 O ASN A 99 -4.541 13.105 -11.411 1.00 0.00 O ATOM 1566 CB ASN A 99 -3.596 15.655 -9.788 1.00 0.00 C ATOM 1567 CG ASN A 99 -2.996 16.463 -8.654 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -3.338 16.267 -7.488 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -2.095 17.379 -8.992 1.00 0.00 N ATOM 0 H ASN A 99 -1.897 13.831 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.339 14.212 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.906 15.651 -10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.513 16.136 -10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.657 17.954 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.841 17.508 -9.972 1.00 0.00 H new ATOM 1576 N SER A 100 -6.184 13.637 -9.968 1.00 0.00 N ATOM 1577 CA SER A 100 -7.245 13.083 -10.801 1.00 0.00 C ATOM 1578 C SER A 100 -7.315 13.805 -12.143 1.00 0.00 C ATOM 1579 O SER A 100 -7.781 14.941 -12.226 1.00 0.00 O ATOM 1580 CB SER A 100 -8.592 13.184 -10.083 1.00 0.00 C ATOM 1581 OG SER A 100 -9.664 13.196 -11.010 1.00 0.00 O ATOM 0 H SER A 100 -6.506 14.045 -9.090 1.00 0.00 H new ATOM 0 HA SER A 100 -7.018 12.033 -10.985 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.707 12.343 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.619 14.091 -9.479 1.00 0.00 H new ATOM 0 HG SER A 100 -10.514 13.260 -10.526 1.00 0.00 H new ATOM 1587 N GLY A 101 -6.848 13.136 -13.193 1.00 0.00 N ATOM 1588 CA GLY A 101 -6.866 13.729 -14.518 1.00 0.00 C ATOM 1589 C GLY A 101 -6.473 12.743 -15.600 1.00 0.00 C ATOM 1590 O GLY A 101 -6.837 11.569 -15.541 1.00 0.00 O ATOM 0 H GLY A 101 -6.458 12.195 -13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.864 14.114 -14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.185 14.580 -14.541 1.00 0.00 H new ATOM 1594 N GLY A 102 -5.729 13.221 -16.592 1.00 0.00 N ATOM 1595 CA GLY A 102 -5.300 12.360 -17.679 1.00 0.00 C ATOM 1596 C GLY A 102 -6.417 12.067 -18.662 1.00 0.00 C ATOM 1597 O GLY A 102 -7.299 11.255 -18.386 1.00 0.00 O ATOM 0 H GLY A 102 -5.415 14.189 -16.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.471 12.831 -18.206 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.925 11.422 -17.269 1.00 0.00 H new ATOM 1601 N PHE A 103 -6.380 12.732 -19.812 1.00 0.00 N ATOM 1602 CA PHE A 103 -7.398 12.541 -20.838 1.00 0.00 C ATOM 1603 C PHE A 103 -6.859 11.694 -21.988 1.00 0.00 C ATOM 1604 O PHE A 103 -7.490 10.723 -22.408 1.00 0.00 O ATOM 1605 CB PHE A 103 -7.879 13.893 -21.368 1.00 0.00 C ATOM 1606 CG PHE A 103 -6.766 14.874 -21.606 1.00 0.00 C ATOM 1607 CD1 PHE A 103 -6.325 15.702 -20.586 1.00 0.00 C ATOM 1608 CD2 PHE A 103 -6.162 14.968 -22.849 1.00 0.00 C ATOM 1609 CE1 PHE A 103 -5.301 16.605 -20.801 1.00 0.00 C ATOM 1610 CE2 PHE A 103 -5.137 15.869 -23.070 1.00 0.00 C ATOM 1611 CZ PHE A 103 -4.707 16.689 -22.045 1.00 0.00 C ATOM 0 H PHE A 103 -5.656 13.408 -20.057 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.239 12.016 -20.386 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.421 13.737 -22.301 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.585 14.322 -20.657 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.787 15.641 -19.612 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.495 14.330 -23.654 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.966 17.244 -19.997 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -4.673 15.932 -24.043 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.908 17.395 -22.216 1.00 0.00 H new ATOM 1621 N LEU A 104 -5.689 12.069 -22.493 1.00 0.00 N ATOM 1622 CA LEU A 104 -5.063 11.345 -23.594 1.00 0.00 C ATOM 1623 C LEU A 104 -4.240 10.170 -23.076 1.00 0.00 C ATOM 1624 O LEU A 104 -4.500 9.017 -23.421 1.00 0.00 O ATOM 1625 CB LEU A 104 -4.174 12.286 -24.409 1.00 0.00 C ATOM 1626 CG LEU A 104 -4.010 11.941 -25.889 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -3.308 10.602 -26.051 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -5.364 11.922 -26.585 1.00 0.00 C ATOM 0 H LEU A 104 -5.154 12.870 -22.158 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.853 10.955 -24.236 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.582 13.294 -24.335 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.186 12.308 -23.950 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.394 12.710 -26.355 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.200 10.374 -27.111 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.322 10.650 -25.588 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.897 9.822 -25.570 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.228 11.675 -27.638 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.004 11.174 -26.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.831 12.903 -26.500 1.00 0.00 H new ATOM 1640 N SER A 105 -3.248 10.470 -22.245 1.00 0.00 N ATOM 1641 CA SER A 105 -2.385 9.439 -21.680 1.00 0.00 C ATOM 1642 C SER A 105 -2.986 8.871 -20.398 1.00 0.00 C ATOM 1643 O SER A 105 -4.108 9.208 -20.021 1.00 0.00 O ATOM 1644 CB SER A 105 -0.993 10.007 -21.397 1.00 0.00 C ATOM 1645 OG SER A 105 -0.542 10.811 -22.473 1.00 0.00 O ATOM 0 H SER A 105 -3.021 11.419 -21.948 1.00 0.00 H new ATOM 0 HA SER A 105 -2.298 8.633 -22.409 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.017 10.599 -20.482 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.291 9.190 -21.230 1.00 0.00 H new ATOM 0 HG SER A 105 0.390 11.072 -22.318 1.00 0.00 H new ATOM 1651 N LYS A 106 -2.229 8.006 -19.731 1.00 0.00 N ATOM 1652 CA LYS A 106 -2.684 7.390 -18.490 1.00 0.00 C ATOM 1653 C LYS A 106 -2.551 8.360 -17.320 1.00 0.00 C ATOM 1654 O LYS A 106 -3.175 8.176 -16.275 1.00 0.00 O ATOM 1655 CB LYS A 106 -1.882 6.118 -18.204 1.00 0.00 C ATOM 1656 CG LYS A 106 -2.027 5.053 -19.278 1.00 0.00 C ATOM 1657 CD LYS A 106 -0.891 5.119 -20.285 1.00 0.00 C ATOM 1658 CE LYS A 106 -1.030 4.043 -21.352 1.00 0.00 C ATOM 1659 NZ LYS A 106 -0.114 4.281 -22.502 1.00 0.00 N ATOM 0 H LYS A 106 -1.298 7.716 -20.029 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.736 7.131 -18.607 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -0.828 6.378 -18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.202 5.704 -17.248 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.046 4.067 -18.814 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -2.979 5.181 -19.793 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.878 6.102 -20.757 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.062 5.001 -19.769 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.817 3.068 -20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.060 4.015 -21.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.239 3.527 -23.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.333 5.200 -22.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.871 4.282 -22.167 1.00 0.00 H new ATOM 1673 N ASP A 107 -1.737 9.393 -17.505 1.00 0.00 N ATOM 1674 CA ASP A 107 -1.525 10.395 -16.466 1.00 0.00 C ATOM 1675 C ASP A 107 -0.797 11.613 -17.025 1.00 0.00 C ATOM 1676 O ASP A 107 0.306 11.499 -17.560 1.00 0.00 O ATOM 1677 CB ASP A 107 -0.728 9.796 -15.306 1.00 0.00 C ATOM 1678 CG ASP A 107 0.579 9.177 -15.760 1.00 0.00 C ATOM 1679 OD1 ASP A 107 1.551 9.932 -15.973 1.00 0.00 O ATOM 1680 OD2 ASP A 107 0.630 7.937 -15.905 1.00 0.00 O ATOM 0 H ASP A 107 -1.213 9.559 -18.364 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.500 10.715 -16.100 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.522 10.574 -14.571 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.332 9.038 -14.807 1.00 0.00 H new ATOM 1685 N LYS A 108 -1.421 12.779 -16.899 1.00 0.00 N ATOM 1686 CA LYS A 108 -0.834 14.019 -17.391 1.00 0.00 C ATOM 1687 C LYS A 108 -0.245 14.835 -16.245 1.00 0.00 C ATOM 1688 O LYS A 108 0.194 15.968 -16.438 1.00 0.00 O ATOM 1689 CB LYS A 108 -1.886 14.847 -18.132 1.00 0.00 C ATOM 1690 CG LYS A 108 -1.982 14.523 -19.613 1.00 0.00 C ATOM 1691 CD LYS A 108 -1.033 15.381 -20.434 1.00 0.00 C ATOM 1692 CE LYS A 108 -0.697 14.723 -21.764 1.00 0.00 C ATOM 1693 NZ LYS A 108 0.320 13.646 -21.609 1.00 0.00 N ATOM 0 H LYS A 108 -2.335 12.891 -16.460 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.030 13.762 -18.081 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.859 14.682 -17.669 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.652 15.905 -18.014 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.751 13.470 -19.772 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.005 14.680 -19.955 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.485 16.356 -20.613 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.116 15.553 -19.870 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.604 14.306 -22.202 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.325 15.477 -22.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.850 13.539 -22.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.976 13.896 -20.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.155 12.750 -21.379 1.00 0.00 H new ATOM 1707 N GLY A 109 -0.238 14.250 -15.051 1.00 0.00 N ATOM 1708 CA GLY A 109 0.301 14.937 -13.891 1.00 0.00 C ATOM 1709 C GLY A 109 0.734 13.979 -12.799 1.00 0.00 C ATOM 1710 O GLY A 109 0.306 14.101 -11.651 1.00 0.00 O ATOM 0 H GLY A 109 -0.596 13.313 -14.866 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.153 15.545 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.451 15.619 -13.494 1.00 0.00 H new ATOM 1714 N LEU A 110 1.583 13.022 -13.156 1.00 0.00 N ATOM 1715 CA LEU A 110 2.074 12.038 -12.198 1.00 0.00 C ATOM 1716 C LEU A 110 2.877 12.710 -11.089 1.00 0.00 C ATOM 1717 O LEU A 110 3.952 13.260 -11.332 1.00 0.00 O ATOM 1718 CB LEU A 110 2.937 10.993 -12.907 1.00 0.00 C ATOM 1719 CG LEU A 110 3.784 10.096 -12.003 1.00 0.00 C ATOM 1720 CD1 LEU A 110 2.904 9.098 -11.266 1.00 0.00 C ATOM 1721 CD2 LEU A 110 4.849 9.374 -12.815 1.00 0.00 C ATOM 0 H LEU A 110 1.946 12.906 -14.102 1.00 0.00 H new ATOM 0 HA LEU A 110 1.212 11.544 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.284 10.358 -13.506 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.602 11.509 -13.599 1.00 0.00 H new ATOM 0 HG LEU A 110 4.283 10.724 -11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.524 8.468 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.180 9.635 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.377 8.475 -11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.442 8.740 -12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.371 8.758 -13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.498 10.106 -13.296 1.00 0.00 H new ATOM 1733 N LEU A 111 2.350 12.661 -9.871 1.00 0.00 N ATOM 1734 CA LEU A 111 3.019 13.264 -8.723 1.00 0.00 C ATOM 1735 C LEU A 111 4.029 12.298 -8.113 1.00 0.00 C ATOM 1736 O LEU A 111 5.071 12.712 -7.607 1.00 0.00 O ATOM 1737 CB LEU A 111 1.991 13.678 -7.668 1.00 0.00 C ATOM 1738 CG LEU A 111 0.849 14.570 -8.157 1.00 0.00 C ATOM 1739 CD1 LEU A 111 -0.277 14.603 -7.136 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.356 15.976 -8.441 1.00 0.00 C ATOM 0 H LEU A 111 1.462 12.210 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 111 3.553 14.149 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.560 12.775 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.513 14.198 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 111 0.458 14.152 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.081 15.243 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.658 13.594 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.099 14.997 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.530 16.597 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.773 16.403 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.128 15.936 -9.210 1.00 0.00 H new ATOM 1752 N GLY A 112 3.714 11.007 -8.167 1.00 0.00 N ATOM 1753 CA GLY A 112 4.606 10.002 -7.619 1.00 0.00 C ATOM 1754 C GLY A 112 4.023 8.605 -7.695 1.00 0.00 C ATOM 1755 O GLY A 112 2.844 8.399 -7.404 1.00 0.00 O ATOM 0 H GLY A 112 2.857 10.640 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.552 10.027 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.826 10.244 -6.579 1.00 0.00 H new ATOM 1759 N LYS A 113 4.848 7.642 -8.091 1.00 0.00 N ATOM 1760 CA LYS A 113 4.409 6.257 -8.206 1.00 0.00 C ATOM 1761 C LYS A 113 5.459 5.304 -7.645 1.00 0.00 C ATOM 1762 O LYS A 113 6.652 5.610 -7.643 1.00 0.00 O ATOM 1763 CB LYS A 113 4.121 5.911 -9.669 1.00 0.00 C ATOM 1764 CG LYS A 113 5.347 5.980 -10.563 1.00 0.00 C ATOM 1765 CD LYS A 113 5.050 5.461 -11.959 1.00 0.00 C ATOM 1766 CE LYS A 113 4.937 3.944 -11.977 1.00 0.00 C ATOM 1767 NZ LYS A 113 3.557 3.487 -11.652 1.00 0.00 N ATOM 0 H LYS A 113 5.826 7.796 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 113 3.494 6.144 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.700 4.907 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.363 6.594 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.696 7.011 -10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.154 5.396 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.121 5.901 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.839 5.776 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.221 3.570 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.639 3.519 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 3.542 3.080 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 2.904 4.296 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.259 2.765 -12.339 1.00 0.00 H new ATOM 1781 N VAL A 114 5.009 4.147 -7.171 1.00 0.00 N ATOM 1782 CA VAL A 114 5.911 3.148 -6.609 1.00 0.00 C ATOM 1783 C VAL A 114 5.341 1.743 -6.767 1.00 0.00 C ATOM 1784 O VAL A 114 4.218 1.465 -6.344 1.00 0.00 O ATOM 1785 CB VAL A 114 6.185 3.415 -5.117 1.00 0.00 C ATOM 1786 CG1 VAL A 114 4.897 3.330 -4.314 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.222 2.437 -4.583 1.00 0.00 C ATOM 0 H VAL A 114 4.025 3.878 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 114 6.848 3.221 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 114 6.583 4.424 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.111 3.521 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.189 4.073 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.466 2.334 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.404 2.640 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 114 6.854 1.417 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.152 2.552 -5.140 1.00 0.00 H new ATOM 1797 N LEU A 115 6.123 0.858 -7.376 1.00 0.00 N ATOM 1798 CA LEU A 115 5.697 -0.520 -7.590 1.00 0.00 C ATOM 1799 C LEU A 115 6.192 -1.424 -6.465 1.00 0.00 C ATOM 1800 O LEU A 115 7.219 -1.152 -5.842 1.00 0.00 O ATOM 1801 CB LEU A 115 6.214 -1.033 -8.935 1.00 0.00 C ATOM 1802 CG LEU A 115 5.475 -0.527 -10.175 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.203 -1.330 -10.403 1.00 0.00 C ATOM 1804 CD2 LEU A 115 5.155 0.954 -10.038 1.00 0.00 C ATOM 0 H LEU A 115 7.056 1.071 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 115 4.607 -0.540 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.265 -0.759 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.168 -2.122 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 115 6.124 -0.659 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.691 -0.956 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.457 -2.380 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.549 -1.230 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.629 1.297 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.525 1.111 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.081 1.517 -9.924 1.00 0.00 H new ATOM 1816 N VAL A 116 5.455 -2.501 -6.210 1.00 0.00 N ATOM 1817 CA VAL A 116 5.821 -3.446 -5.162 1.00 0.00 C ATOM 1818 C VAL A 116 5.765 -4.882 -5.673 1.00 0.00 C ATOM 1819 O VAL A 116 4.705 -5.372 -6.060 1.00 0.00 O ATOM 1820 CB VAL A 116 4.896 -3.313 -3.937 1.00 0.00 C ATOM 1821 CG1 VAL A 116 5.214 -4.386 -2.908 1.00 0.00 C ATOM 1822 CG2 VAL A 116 5.018 -1.925 -3.327 1.00 0.00 C ATOM 0 H VAL A 116 4.602 -2.740 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 116 6.842 -3.208 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 116 3.866 -3.452 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.550 -4.276 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.071 -5.371 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.249 -4.282 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.358 -1.848 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.048 -1.755 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.736 -1.176 -4.067 1.00 0.00 H new ATOM 1832 N ALA A 117 6.914 -5.550 -5.670 1.00 0.00 N ATOM 1833 CA ALA A 117 6.996 -6.930 -6.131 1.00 0.00 C ATOM 1834 C ALA A 117 6.395 -7.887 -5.108 1.00 0.00 C ATOM 1835 O ALA A 117 6.955 -8.092 -4.030 1.00 0.00 O ATOM 1836 CB ALA A 117 8.441 -7.305 -6.422 1.00 0.00 C ATOM 0 H ALA A 117 7.801 -5.158 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 117 6.418 -7.014 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.487 -8.338 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.839 -6.648 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.035 -7.198 -5.514 1.00 0.00 H new ATOM 1842 N LEU A 118 5.252 -8.471 -5.450 1.00 0.00 N ATOM 1843 CA LEU A 118 4.574 -9.407 -4.560 1.00 0.00 C ATOM 1844 C LEU A 118 5.111 -10.823 -4.747 1.00 0.00 C ATOM 1845 O LEU A 118 4.397 -11.801 -4.531 1.00 0.00 O ATOM 1846 CB LEU A 118 3.066 -9.384 -4.815 1.00 0.00 C ATOM 1847 CG LEU A 118 2.458 -8.014 -5.119 1.00 0.00 C ATOM 1848 CD1 LEU A 118 1.004 -8.157 -5.540 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.578 -7.098 -3.910 1.00 0.00 C ATOM 0 H LEU A 118 4.775 -8.313 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 118 4.767 -9.097 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.849 -10.049 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.563 -9.796 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 118 3.011 -7.567 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.588 -7.172 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.944 -8.777 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.437 -8.625 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.140 -6.128 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.050 -7.540 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.630 -6.970 -3.654 1.00 0.00 H new ATOM 1861 N ALA A 119 6.374 -10.923 -5.147 1.00 0.00 N ATOM 1862 CA ALA A 119 7.008 -12.218 -5.359 1.00 0.00 C ATOM 1863 C ALA A 119 7.748 -12.678 -4.107 1.00 0.00 C ATOM 1864 O ALA A 119 8.724 -13.424 -4.190 1.00 0.00 O ATOM 1865 CB ALA A 119 7.962 -12.152 -6.543 1.00 0.00 C ATOM 0 H ALA A 119 6.979 -10.122 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 119 6.226 -12.946 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.428 -13.126 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.409 -11.876 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.733 -11.407 -6.348 1.00 0.00 H new ATOM 1871 N SER A 120 7.278 -12.228 -2.949 1.00 0.00 N ATOM 1872 CA SER A 120 7.898 -12.590 -1.679 1.00 0.00 C ATOM 1873 C SER A 120 7.152 -13.747 -1.021 1.00 0.00 C ATOM 1874 O SER A 120 6.202 -14.289 -1.587 1.00 0.00 O ATOM 1875 CB SER A 120 7.924 -11.385 -0.738 1.00 0.00 C ATOM 1876 OG SER A 120 8.874 -11.568 0.298 1.00 0.00 O ATOM 0 H SER A 120 6.470 -11.612 -2.863 1.00 0.00 H new ATOM 0 HA SER A 120 8.921 -12.907 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.165 -10.484 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.934 -11.235 -0.306 1.00 0.00 H new ATOM 0 HG SER A 120 9.108 -10.698 0.684 1.00 0.00 H new ATOM 1882 N GLU A 121 7.589 -14.119 0.178 1.00 0.00 N ATOM 1883 CA GLU A 121 6.964 -15.212 0.913 1.00 0.00 C ATOM 1884 C GLU A 121 6.382 -14.717 2.234 1.00 0.00 C ATOM 1885 O GLU A 121 5.633 -15.430 2.900 1.00 0.00 O ATOM 1886 CB GLU A 121 7.979 -16.326 1.177 1.00 0.00 C ATOM 1887 CG GLU A 121 7.345 -17.690 1.388 1.00 0.00 C ATOM 1888 CD GLU A 121 8.330 -18.717 1.913 1.00 0.00 C ATOM 1889 OE1 GLU A 121 8.664 -18.658 3.115 1.00 0.00 O ATOM 1890 OE2 GLU A 121 8.767 -19.579 1.122 1.00 0.00 O ATOM 0 H GLU A 121 8.373 -13.680 0.661 1.00 0.00 H new ATOM 0 HA GLU A 121 6.152 -15.607 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.671 -16.382 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.568 -16.068 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.516 -17.596 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.927 -18.042 0.445 1.00 0.00 H new ATOM 1897 N GLU A 122 6.733 -13.490 2.605 1.00 0.00 N ATOM 1898 CA GLU A 122 6.247 -12.899 3.847 1.00 0.00 C ATOM 1899 C GLU A 122 4.890 -12.234 3.638 1.00 0.00 C ATOM 1900 O GLU A 122 4.528 -11.298 4.353 1.00 0.00 O ATOM 1901 CB GLU A 122 7.253 -11.876 4.379 1.00 0.00 C ATOM 1902 CG GLU A 122 7.575 -10.769 3.390 1.00 0.00 C ATOM 1903 CD GLU A 122 8.514 -9.727 3.967 1.00 0.00 C ATOM 1904 OE1 GLU A 122 9.742 -9.954 3.938 1.00 0.00 O ATOM 1905 OE2 GLU A 122 8.021 -8.685 4.448 1.00 0.00 O ATOM 0 H GLU A 122 7.352 -12.886 2.064 1.00 0.00 H new ATOM 0 HA GLU A 122 6.132 -13.698 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 122 6.858 -11.432 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.175 -12.391 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.025 -11.204 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.649 -10.285 3.077 1.00 0.00 H new ATOM 1912 N LEU A 123 4.144 -12.722 2.653 1.00 0.00 N ATOM 1913 CA LEU A 123 2.826 -12.175 2.349 1.00 0.00 C ATOM 1914 C LEU A 123 1.758 -12.800 3.240 1.00 0.00 C ATOM 1915 O LEU A 123 0.996 -12.095 3.900 1.00 0.00 O ATOM 1916 CB LEU A 123 2.482 -12.412 0.877 1.00 0.00 C ATOM 1917 CG LEU A 123 3.117 -11.447 -0.125 1.00 0.00 C ATOM 1918 CD1 LEU A 123 3.189 -12.081 -1.505 1.00 0.00 C ATOM 1919 CD2 LEU A 123 2.336 -10.141 -0.176 1.00 0.00 C ATOM 0 H LEU A 123 4.429 -13.495 2.051 1.00 0.00 H new ATOM 0 HA LEU A 123 2.851 -11.103 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.781 -13.426 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.399 -12.360 0.765 1.00 0.00 H new ATOM 0 HG LEU A 123 4.133 -11.228 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.644 -11.379 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.792 -12.988 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.183 -12.331 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.802 -9.466 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.309 -10.343 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.337 -9.678 0.811 1.00 0.00 H new ATOM 1931 N ALA A 124 1.710 -14.128 3.254 1.00 0.00 N ATOM 1932 CA ALA A 124 0.738 -14.849 4.068 1.00 0.00 C ATOM 1933 C ALA A 124 0.502 -14.140 5.397 1.00 0.00 C ATOM 1934 O ALA A 124 -0.633 -14.035 5.863 1.00 0.00 O ATOM 1935 CB ALA A 124 1.204 -16.278 4.305 1.00 0.00 C ATOM 0 H ALA A 124 2.332 -14.727 2.711 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.207 -14.872 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.469 -16.804 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.315 -16.788 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.163 -16.267 4.823 1.00 0.00 H new ATOM 1941 N LYS A 125 1.580 -13.656 6.004 1.00 0.00 N ATOM 1942 CA LYS A 125 1.491 -12.956 7.280 1.00 0.00 C ATOM 1943 C LYS A 125 1.147 -11.485 7.071 1.00 0.00 C ATOM 1944 O LYS A 125 0.250 -10.949 7.721 1.00 0.00 O ATOM 1945 CB LYS A 125 2.810 -13.079 8.045 1.00 0.00 C ATOM 1946 CG LYS A 125 3.053 -14.463 8.622 1.00 0.00 C ATOM 1947 CD LYS A 125 3.719 -15.380 7.610 1.00 0.00 C ATOM 1948 CE LYS A 125 3.365 -16.838 7.861 1.00 0.00 C ATOM 1949 NZ LYS A 125 4.128 -17.404 9.008 1.00 0.00 N ATOM 0 H LYS A 125 2.527 -13.736 5.632 1.00 0.00 H new ATOM 0 HA LYS A 125 0.695 -13.417 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.633 -12.824 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.819 -12.350 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.680 -14.383 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.105 -14.897 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 125 3.410 -15.098 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.801 -15.253 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.296 -16.924 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.572 -17.422 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.859 -18.399 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.147 -17.346 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.912 -16.863 9.870 1.00 0.00 H new ATOM 1963 N GLY A 126 1.865 -10.838 6.158 1.00 0.00 N ATOM 1964 CA GLY A 126 1.620 -9.435 5.879 1.00 0.00 C ATOM 1965 C GLY A 126 2.636 -8.525 6.541 1.00 0.00 C ATOM 1966 O GLY A 126 3.216 -8.876 7.569 1.00 0.00 O ATOM 0 H GLY A 126 2.612 -11.260 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.640 -9.273 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.620 -9.169 6.223 1.00 0.00 H new ATOM 1970 N TRP A 127 2.854 -7.356 5.951 1.00 0.00 N ATOM 1971 CA TRP A 127 3.809 -6.394 6.489 1.00 0.00 C ATOM 1972 C TRP A 127 3.333 -4.965 6.255 1.00 0.00 C ATOM 1973 O TRP A 127 2.424 -4.724 5.459 1.00 0.00 O ATOM 1974 CB TRP A 127 5.184 -6.598 5.851 1.00 0.00 C ATOM 1975 CG TRP A 127 5.225 -6.233 4.398 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.330 -4.977 3.871 1.00 0.00 C ATOM 1977 CD2 TRP A 127 5.159 -7.133 3.286 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.333 -5.042 2.498 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.230 -6.353 2.115 1.00 0.00 C ATOM 1980 CE3 TRP A 127 5.048 -8.520 3.165 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 5.193 -6.917 0.842 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 5.011 -9.078 1.902 1.00 0.00 C ATOM 1983 CH2 TRP A 127 5.084 -8.278 0.754 1.00 0.00 C ATOM 0 H TRP A 127 2.382 -7.051 5.100 1.00 0.00 H new ATOM 0 HA TRP A 127 3.887 -6.559 7.564 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.919 -5.999 6.389 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.478 -7.641 5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.400 -4.067 4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.401 -4.244 1.867 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.992 -9.145 4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.248 -6.302 -0.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.924 -10.149 1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.054 -8.745 -0.219 1.00 0.00 H new ATOM 1994 N THR A 128 3.953 -4.018 6.952 1.00 0.00 N ATOM 1995 CA THR A 128 3.592 -2.612 6.820 1.00 0.00 C ATOM 1996 C THR A 128 4.833 -1.733 6.714 1.00 0.00 C ATOM 1997 O THR A 128 5.740 -1.823 7.541 1.00 0.00 O ATOM 1998 CB THR A 128 2.740 -2.137 8.012 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.575 -2.960 8.141 1.00 0.00 O ATOM 2000 CG2 THR A 128 2.324 -0.684 7.835 1.00 0.00 C ATOM 0 H THR A 128 4.708 -4.199 7.614 1.00 0.00 H new ATOM 0 HA THR A 128 3.007 -2.520 5.905 1.00 0.00 H new ATOM 0 HB THR A 128 3.343 -2.218 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 128 1.040 -2.652 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.723 -0.371 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 128 3.213 -0.057 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.737 -0.582 6.922 1.00 0.00 H new ATOM 2008 N GLN A 129 4.865 -0.883 5.693 1.00 0.00 N ATOM 2009 CA GLN A 129 5.996 0.012 5.481 1.00 0.00 C ATOM 2010 C GLN A 129 5.605 1.179 4.579 1.00 0.00 C ATOM 2011 O GLN A 129 4.670 1.076 3.785 1.00 0.00 O ATOM 2012 CB GLN A 129 7.170 -0.752 4.866 1.00 0.00 C ATOM 2013 CG GLN A 129 6.949 -1.141 3.413 1.00 0.00 C ATOM 2014 CD GLN A 129 8.190 -1.727 2.770 1.00 0.00 C ATOM 2015 OE1 GLN A 129 8.399 -2.941 2.789 1.00 0.00 O ATOM 2016 NE2 GLN A 129 9.023 -0.866 2.197 1.00 0.00 N ATOM 0 H GLN A 129 4.121 -0.795 5.000 1.00 0.00 H new ATOM 0 HA GLN A 129 6.298 0.410 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.068 -0.139 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.352 -1.653 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.137 -1.866 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.633 -0.263 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.810 0.132 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.875 -1.202 1.749 1.00 0.00 H new ATOM 2025 N TRP A 130 6.326 2.287 4.708 1.00 0.00 N ATOM 2026 CA TRP A 130 6.054 3.473 3.904 1.00 0.00 C ATOM 2027 C TRP A 130 6.799 3.413 2.575 1.00 0.00 C ATOM 2028 O TRP A 130 8.024 3.524 2.534 1.00 0.00 O ATOM 2029 CB TRP A 130 6.452 4.735 4.670 1.00 0.00 C ATOM 2030 CG TRP A 130 5.439 5.155 5.692 1.00 0.00 C ATOM 2031 CD1 TRP A 130 5.417 4.811 7.014 1.00 0.00 C ATOM 2032 CD2 TRP A 130 4.301 5.996 5.475 1.00 0.00 C ATOM 2033 NE1 TRP A 130 4.333 5.387 7.631 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.633 6.120 6.709 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.782 6.657 4.359 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 2.474 6.877 6.855 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.631 7.408 4.506 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.988 7.514 5.746 1.00 0.00 C ATOM 0 H TRP A 130 7.103 2.389 5.361 1.00 0.00 H new ATOM 0 HA TRP A 130 4.984 3.504 3.697 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.408 4.564 5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.601 5.549 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 130 6.144 4.179 7.502 1.00 0.00 H new ATOM 0 HE1 TRP A 130 4.089 5.285 8.616 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.271 6.583 3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.976 6.959 7.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 2.220 7.922 3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 130 1.091 8.110 5.828 1.00 0.00 H new ATOM 2049 N TYR A 131 6.052 3.238 1.491 1.00 0.00 N ATOM 2050 CA TYR A 131 6.643 3.161 0.160 1.00 0.00 C ATOM 2051 C TYR A 131 6.902 4.556 -0.402 1.00 0.00 C ATOM 2052 O TYR A 131 5.974 5.255 -0.810 1.00 0.00 O ATOM 2053 CB TYR A 131 5.726 2.381 -0.784 1.00 0.00 C ATOM 2054 CG TYR A 131 5.434 0.973 -0.316 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.463 0.071 -0.077 1.00 0.00 C ATOM 2056 CD2 TYR A 131 4.127 0.545 -0.113 1.00 0.00 C ATOM 2057 CE1 TYR A 131 6.200 -1.217 0.349 1.00 0.00 C ATOM 2058 CE2 TYR A 131 3.855 -0.740 0.315 1.00 0.00 C ATOM 2059 CZ TYR A 131 4.895 -1.617 0.543 1.00 0.00 C ATOM 2060 OH TYR A 131 4.628 -2.898 0.969 1.00 0.00 O ATOM 0 H TYR A 131 5.036 3.147 1.507 1.00 0.00 H new ATOM 0 HA TYR A 131 7.596 2.639 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.786 2.921 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.186 2.339 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.486 0.382 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.311 1.229 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.012 -1.906 0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 131 2.834 -1.056 0.470 1.00 0.00 H new ATOM 0 HH TYR A 131 3.659 -3.018 1.057 1.00 0.00 H new ATOM 2070 N ASP A 132 8.169 4.953 -0.420 1.00 0.00 N ATOM 2071 CA ASP A 132 8.552 6.263 -0.934 1.00 0.00 C ATOM 2072 C ASP A 132 8.212 6.387 -2.416 1.00 0.00 C ATOM 2073 O ASP A 132 8.730 5.639 -3.247 1.00 0.00 O ATOM 2074 CB ASP A 132 10.048 6.501 -0.719 1.00 0.00 C ATOM 2075 CG ASP A 132 10.867 5.239 -0.905 1.00 0.00 C ATOM 2076 OD1 ASP A 132 10.522 4.432 -1.793 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.855 5.059 -0.162 1.00 0.00 O ATOM 0 H ASP A 132 8.948 4.387 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 132 7.989 7.019 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.396 7.263 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.210 6.891 0.286 1.00 0.00 H new ATOM 2082 N LEU A 133 7.339 7.334 -2.740 1.00 0.00 N ATOM 2083 CA LEU A 133 6.929 7.555 -4.123 1.00 0.00 C ATOM 2084 C LEU A 133 8.122 7.949 -4.988 1.00 0.00 C ATOM 2085 O LEU A 133 9.014 8.672 -4.544 1.00 0.00 O ATOM 2086 CB LEU A 133 5.855 8.642 -4.189 1.00 0.00 C ATOM 2087 CG LEU A 133 4.459 8.237 -3.716 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.530 9.441 -3.699 1.00 0.00 C ATOM 2089 CD2 LEU A 133 3.894 7.138 -4.604 1.00 0.00 C ATOM 0 H LEU A 133 6.901 7.961 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 133 6.517 6.622 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.188 9.490 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.781 8.989 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 133 4.538 7.852 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.541 9.133 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.927 10.197 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.455 9.857 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.900 6.862 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 133 3.829 7.497 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.548 6.267 -4.565 1.00 0.00 H new ATOM 2101 N THR A 134 8.130 7.469 -6.228 1.00 0.00 N ATOM 2102 CA THR A 134 9.212 7.771 -7.157 1.00 0.00 C ATOM 2103 C THR A 134 8.667 8.206 -8.513 1.00 0.00 C ATOM 2104 O THR A 134 7.645 7.698 -8.973 1.00 0.00 O ATOM 2105 CB THR A 134 10.139 6.557 -7.354 1.00 0.00 C ATOM 2106 OG1 THR A 134 9.403 5.465 -7.916 1.00 0.00 O ATOM 2107 CG2 THR A 134 10.760 6.130 -6.033 1.00 0.00 C ATOM 0 H THR A 134 7.399 6.870 -6.612 1.00 0.00 H new ATOM 0 HA THR A 134 9.785 8.589 -6.720 1.00 0.00 H new ATOM 0 HB THR A 134 10.939 6.845 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.444 5.614 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.411 5.271 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.344 6.954 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.971 5.859 -5.331 1.00 0.00 H new ATOM 2115 N GLU A 135 9.357 9.148 -9.148 1.00 0.00 N ATOM 2116 CA GLU A 135 8.940 9.651 -10.452 1.00 0.00 C ATOM 2117 C GLU A 135 9.071 8.568 -11.520 1.00 0.00 C ATOM 2118 O GLU A 135 9.703 7.535 -11.297 1.00 0.00 O ATOM 2119 CB GLU A 135 9.776 10.872 -10.844 1.00 0.00 C ATOM 2120 CG GLU A 135 11.272 10.608 -10.854 1.00 0.00 C ATOM 2121 CD GLU A 135 11.774 10.143 -12.207 1.00 0.00 C ATOM 2122 OE1 GLU A 135 11.616 10.897 -13.190 1.00 0.00 O ATOM 2123 OE2 GLU A 135 12.324 9.025 -12.283 1.00 0.00 O ATOM 0 H GLU A 135 10.206 9.578 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 135 7.892 9.944 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 135 9.469 11.210 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 135 9.564 11.685 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.800 11.518 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.509 9.853 -10.104 1.00 0.00 H new ATOM 2130 N ASP A 136 8.469 8.812 -12.678 1.00 0.00 N ATOM 2131 CA ASP A 136 8.518 7.859 -13.781 1.00 0.00 C ATOM 2132 C ASP A 136 9.852 7.946 -14.516 1.00 0.00 C ATOM 2133 O ASP A 136 9.963 8.613 -15.544 1.00 0.00 O ATOM 2134 CB ASP A 136 7.367 8.115 -14.755 1.00 0.00 C ATOM 2135 CG ASP A 136 7.216 7.004 -15.777 1.00 0.00 C ATOM 2136 OD1 ASP A 136 8.250 6.463 -16.221 1.00 0.00 O ATOM 2137 OD2 ASP A 136 6.064 6.678 -16.132 1.00 0.00 O ATOM 0 H ASP A 136 7.941 9.662 -12.878 1.00 0.00 H new ATOM 0 HA ASP A 136 8.417 6.856 -13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.437 8.219 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.535 9.060 -15.272 1.00 0.00 H new ATOM 2142 N SER A 137 10.862 7.268 -13.980 1.00 0.00 N ATOM 2143 CA SER A 137 12.190 7.273 -14.582 1.00 0.00 C ATOM 2144 C SER A 137 12.129 6.817 -16.037 1.00 0.00 C ATOM 2145 O SER A 137 12.711 7.444 -16.921 1.00 0.00 O ATOM 2146 CB SER A 137 13.135 6.366 -13.791 1.00 0.00 C ATOM 2147 OG SER A 137 12.586 5.068 -13.637 1.00 0.00 O ATOM 0 H SER A 137 10.786 6.709 -13.130 1.00 0.00 H new ATOM 0 HA SER A 137 12.570 8.294 -14.555 1.00 0.00 H new ATOM 0 HB2 SER A 137 14.095 6.300 -14.304 1.00 0.00 H new ATOM 0 HB3 SER A 137 13.327 6.802 -12.811 1.00 0.00 H new ATOM 0 HG SER A 137 13.209 4.507 -13.130 1.00 0.00 H new ATOM 2153 N GLY A 138 11.419 5.719 -16.277 1.00 0.00 N ATOM 2154 CA GLY A 138 11.293 5.197 -17.626 1.00 0.00 C ATOM 2155 C GLY A 138 12.064 3.906 -17.821 1.00 0.00 C ATOM 2156 O GLY A 138 13.140 3.709 -17.256 1.00 0.00 O ATOM 0 H GLY A 138 10.929 5.182 -15.562 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.240 5.025 -17.849 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.652 5.942 -18.336 1.00 0.00 H new ATOM 2160 N PRO A 139 11.509 2.999 -18.638 1.00 0.00 N ATOM 2161 CA PRO A 139 12.134 1.704 -18.925 1.00 0.00 C ATOM 2162 C PRO A 139 13.392 1.844 -19.774 1.00 0.00 C ATOM 2163 O PRO A 139 14.251 0.961 -19.778 1.00 0.00 O ATOM 2164 CB PRO A 139 11.048 0.950 -19.697 1.00 0.00 C ATOM 2165 CG PRO A 139 10.211 2.017 -20.314 1.00 0.00 C ATOM 2166 CD PRO A 139 10.228 3.168 -19.346 1.00 0.00 C ATOM 0 HA PRO A 139 12.460 1.197 -18.016 1.00 0.00 H new ATOM 0 HB2 PRO A 139 11.482 0.299 -20.456 1.00 0.00 H new ATOM 0 HB3 PRO A 139 10.458 0.318 -19.034 1.00 0.00 H new ATOM 0 HG2 PRO A 139 10.611 2.316 -21.283 1.00 0.00 H new ATOM 0 HG3 PRO A 139 9.193 1.665 -20.484 1.00 0.00 H new ATOM 0 HD2 PRO A 139 10.177 4.127 -19.861 1.00 0.00 H new ATOM 0 HD3 PRO A 139 9.382 3.129 -18.660 1.00 0.00 H new ATOM 2174 N SER A 140 13.496 2.957 -20.493 1.00 0.00 N ATOM 2175 CA SER A 140 14.649 3.210 -21.349 1.00 0.00 C ATOM 2176 C SER A 140 15.156 4.637 -21.169 1.00 0.00 C ATOM 2177 O SER A 140 14.379 5.557 -20.916 1.00 0.00 O ATOM 2178 CB SER A 140 14.285 2.967 -22.815 1.00 0.00 C ATOM 2179 OG SER A 140 15.445 2.926 -23.629 1.00 0.00 O ATOM 0 H SER A 140 12.795 3.698 -20.500 1.00 0.00 H new ATOM 0 HA SER A 140 15.443 2.522 -21.060 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.739 2.028 -22.907 1.00 0.00 H new ATOM 0 HB3 SER A 140 13.620 3.757 -23.164 1.00 0.00 H new ATOM 0 HG SER A 140 15.185 2.768 -24.561 1.00 0.00 H new ATOM 2185 N SER A 141 16.467 4.814 -21.302 1.00 0.00 N ATOM 2186 CA SER A 141 17.081 6.128 -21.151 1.00 0.00 C ATOM 2187 C SER A 141 17.151 6.852 -22.492 1.00 0.00 C ATOM 2188 O SER A 141 17.734 6.350 -23.452 1.00 0.00 O ATOM 2189 CB SER A 141 18.484 5.993 -20.557 1.00 0.00 C ATOM 2190 OG SER A 141 19.059 7.265 -20.312 1.00 0.00 O ATOM 0 H SER A 141 17.124 4.063 -21.514 1.00 0.00 H new ATOM 0 HA SER A 141 16.462 6.716 -20.473 1.00 0.00 H new ATOM 0 HB2 SER A 141 18.435 5.427 -19.627 1.00 0.00 H new ATOM 0 HB3 SER A 141 19.119 5.429 -21.240 1.00 0.00 H new ATOM 0 HG SER A 141 19.955 7.151 -19.931 1.00 0.00 H new ATOM 2196 N GLY A 142 16.551 8.038 -22.549 1.00 0.00 N ATOM 2197 CA GLY A 142 16.557 8.813 -23.775 1.00 0.00 C ATOM 2198 C GLY A 142 15.299 8.607 -24.597 1.00 0.00 C ATOM 2199 O GLY A 142 15.327 7.935 -25.628 1.00 0.00 O ATOM 0 H GLY A 142 16.061 8.475 -21.768 1.00 0.00 H new ATOM 0 HA2 GLY A 142 16.660 9.871 -23.532 1.00 0.00 H new ATOM 0 HA3 GLY A 142 17.427 8.537 -24.372 1.00 0.00 H new TER 2203 GLY A 142