USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 575 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 72 HIS : no HD1:sc= -3.56! C(o=-3.7!,f=-6.7!) USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= -0.103 F(o=-4.4,f=-3.7) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot -97:sc= 0.00782 USER MOD Set 3.2: A 23 SER OG : rot -140:sc= 0.892 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.13 USER MOD Set 4.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.118 (180deg=-0.585) USER MOD Single : A 4 THR OG1 : rot 20:sc= 0.694 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0747 (180deg=-0.597) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.15 USER MOD Single : A 32 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot -80:sc= -2.39! USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= -1.38 (180deg=-4.62!) USER MOD Single : A 36 THR OG1 : rot 42:sc= 0.0659 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0139 (180deg=-0.335) USER MOD Single : A 52 SER OG : rot 180:sc= 0.551 USER MOD Single : A 53 HIS : no HD1:sc=-0.000192 X(o=-0.00019,f=-0.26) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0429 (180deg=-0.413) USER MOD Single : A 71 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-6.5!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 74 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.69) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.539 8.656 11.953 1.00 0.00 N ATOM 2 CA ALA A 1 9.441 8.255 10.837 1.00 0.00 C ATOM 3 C ALA A 1 8.619 7.575 9.738 1.00 0.00 C ATOM 4 O ALA A 1 8.211 6.434 9.858 1.00 0.00 O ATOM 5 CB ALA A 1 10.510 7.295 11.361 1.00 0.00 C ATOM 0 H1 ALA A 1 9.096 9.118 12.700 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.820 9.318 11.597 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.071 7.812 12.341 1.00 0.00 H new ATOM 0 HA ALA A 1 9.929 9.138 10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.169 7.003 10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.093 7.789 12.138 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.031 6.408 11.776 1.00 0.00 H new ATOM 13 N GLU A 2 8.366 8.277 8.669 1.00 0.00 N ATOM 14 CA GLU A 2 7.563 7.694 7.558 1.00 0.00 C ATOM 15 C GLU A 2 8.372 6.620 6.834 1.00 0.00 C ATOM 16 O GLU A 2 9.586 6.665 6.786 1.00 0.00 O ATOM 17 CB GLU A 2 7.191 8.799 6.568 1.00 0.00 C ATOM 18 CG GLU A 2 6.264 9.808 7.246 1.00 0.00 C ATOM 19 CD GLU A 2 4.939 9.130 7.603 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.651 8.097 7.022 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.239 9.653 8.454 1.00 0.00 O ATOM 0 H GLU A 2 8.683 9.235 8.516 1.00 0.00 H new ATOM 0 HA GLU A 2 6.659 7.245 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.091 9.300 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.700 8.368 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.736 10.203 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.084 10.654 6.583 1.00 0.00 H new ATOM 28 N LYS A 3 7.698 5.649 6.268 1.00 0.00 N ATOM 29 CA LYS A 3 8.404 4.554 5.536 1.00 0.00 C ATOM 30 C LYS A 3 7.814 4.429 4.134 1.00 0.00 C ATOM 31 O LYS A 3 6.630 4.614 3.930 1.00 0.00 O ATOM 32 CB LYS A 3 8.212 3.243 6.296 1.00 0.00 C ATOM 33 CG LYS A 3 8.939 3.331 7.638 1.00 0.00 C ATOM 34 CD LYS A 3 8.748 2.027 8.412 1.00 0.00 C ATOM 35 CE LYS A 3 9.523 2.102 9.728 1.00 0.00 C ATOM 36 NZ LYS A 3 9.000 3.231 10.550 1.00 0.00 N ATOM 0 H LYS A 3 6.681 5.568 6.282 1.00 0.00 H new ATOM 0 HA LYS A 3 9.468 4.778 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.151 3.053 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.601 2.409 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.001 3.517 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.553 4.169 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.689 1.860 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.099 1.183 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.424 1.164 10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.585 2.245 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.266 3.088 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.405 4.126 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.964 3.268 10.470 1.00 0.00 H new ATOM 50 N THR A 4 8.640 4.123 3.161 1.00 0.00 N ATOM 51 CA THR A 4 8.150 3.990 1.753 1.00 0.00 C ATOM 52 C THR A 4 8.373 2.560 1.265 1.00 0.00 C ATOM 53 O THR A 4 9.480 2.051 1.251 1.00 0.00 O ATOM 54 CB THR A 4 8.920 4.967 0.865 1.00 0.00 C ATOM 55 OG1 THR A 4 10.313 4.828 1.104 1.00 0.00 O ATOM 56 CG2 THR A 4 8.483 6.396 1.194 1.00 0.00 C ATOM 0 H THR A 4 9.639 3.959 3.284 1.00 0.00 H new ATOM 0 HA THR A 4 7.085 4.217 1.709 1.00 0.00 H new ATOM 0 HB THR A 4 8.712 4.753 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.489 3.957 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.029 7.098 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.413 6.501 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.695 6.609 2.242 1.00 0.00 H new ATOM 64 N GLY A 5 7.310 1.907 0.869 1.00 0.00 N ATOM 65 CA GLY A 5 7.408 0.500 0.379 1.00 0.00 C ATOM 66 C GLY A 5 7.346 0.468 -1.149 1.00 0.00 C ATOM 67 O GLY A 5 6.551 1.157 -1.765 1.00 0.00 O ATOM 0 H GLY A 5 6.367 2.295 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.340 0.052 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.596 -0.096 0.796 1.00 0.00 H new ATOM 71 N ILE A 6 8.177 -0.337 -1.765 1.00 0.00 N ATOM 72 CA ILE A 6 8.173 -0.430 -3.253 1.00 0.00 C ATOM 73 C ILE A 6 7.143 -1.472 -3.698 1.00 0.00 C ATOM 74 O ILE A 6 7.183 -2.620 -3.298 1.00 0.00 O ATOM 75 CB ILE A 6 9.566 -0.838 -3.735 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.621 0.080 -3.096 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.640 -0.718 -5.257 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.257 1.552 -3.326 1.00 0.00 C ATOM 0 H ILE A 6 8.859 -0.934 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 6 7.910 0.537 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 6 9.759 -1.871 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.689 -0.122 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.602 -0.130 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.634 -1.009 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.895 -1.372 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.444 0.313 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.013 2.190 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.213 1.753 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.286 1.761 -2.877 1.00 0.00 H new ATOM 90 N VAL A 7 6.213 -1.068 -4.521 1.00 0.00 N ATOM 91 CA VAL A 7 5.164 -2.013 -4.998 1.00 0.00 C ATOM 92 C VAL A 7 5.753 -2.976 -6.030 1.00 0.00 C ATOM 93 O VAL A 7 6.458 -2.580 -6.938 1.00 0.00 O ATOM 94 CB VAL A 7 4.024 -1.215 -5.628 1.00 0.00 C ATOM 95 CG1 VAL A 7 3.016 -2.171 -6.271 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.326 -0.390 -4.541 1.00 0.00 C ATOM 0 H VAL A 7 6.135 -0.118 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 7 4.787 -2.592 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 7 4.425 -0.551 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.205 -1.597 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.513 -2.759 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.611 -2.838 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.511 0.182 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.927 -1.058 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.043 0.293 -4.086 1.00 0.00 H new ATOM 106 N ASN A 8 5.460 -4.245 -5.892 1.00 0.00 N ATOM 107 CA ASN A 8 5.986 -5.262 -6.852 1.00 0.00 C ATOM 108 C ASN A 8 4.828 -6.117 -7.372 1.00 0.00 C ATOM 109 O ASN A 8 4.356 -7.019 -6.704 1.00 0.00 O ATOM 110 CB ASN A 8 6.998 -6.151 -6.131 1.00 0.00 C ATOM 111 CG ASN A 8 7.578 -7.165 -7.117 1.00 0.00 C ATOM 112 OD1 ASN A 8 7.939 -6.817 -8.225 1.00 0.00 O ATOM 113 ND2 ASN A 8 7.685 -8.415 -6.760 1.00 0.00 N ATOM 0 H ASN A 8 4.873 -4.623 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 8 6.470 -4.763 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.796 -5.542 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.517 -6.669 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.071 -9.100 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.382 -8.708 -5.831 1.00 0.00 H new ATOM 120 N VAL A 9 4.366 -5.838 -8.566 1.00 0.00 N ATOM 121 CA VAL A 9 3.235 -6.627 -9.149 1.00 0.00 C ATOM 122 C VAL A 9 3.530 -6.945 -10.615 1.00 0.00 C ATOM 123 O VAL A 9 4.349 -6.312 -11.253 1.00 0.00 O ATOM 124 CB VAL A 9 1.930 -5.826 -9.051 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.539 -5.661 -7.579 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.119 -4.444 -9.686 1.00 0.00 C ATOM 0 H VAL A 9 4.725 -5.094 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 9 3.127 -7.557 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 9 1.142 -6.361 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.612 -5.092 -7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.396 -6.643 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.330 -5.130 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.189 -3.880 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.910 -3.908 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.392 -4.560 -10.735 1.00 0.00 H new ATOM 136 N SER A 10 2.860 -7.929 -11.147 1.00 0.00 N ATOM 137 CA SER A 10 3.076 -8.314 -12.571 1.00 0.00 C ATOM 138 C SER A 10 2.223 -7.422 -13.480 1.00 0.00 C ATOM 139 O SER A 10 2.368 -7.422 -14.688 1.00 0.00 O ATOM 140 CB SER A 10 2.664 -9.776 -12.753 1.00 0.00 C ATOM 141 OG SER A 10 1.268 -9.897 -12.514 1.00 0.00 O ATOM 0 H SER A 10 2.165 -8.488 -10.652 1.00 0.00 H new ATOM 0 HA SER A 10 4.126 -8.189 -12.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.904 -10.112 -13.762 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.220 -10.412 -12.065 1.00 0.00 H new ATOM 0 HG SER A 10 0.996 -10.831 -12.630 1.00 0.00 H new ATOM 147 N SER A 11 1.330 -6.660 -12.907 1.00 0.00 N ATOM 148 CA SER A 11 0.460 -5.766 -13.731 1.00 0.00 C ATOM 149 C SER A 11 0.140 -4.497 -12.942 1.00 0.00 C ATOM 150 O SER A 11 0.554 -3.408 -13.292 1.00 0.00 O ATOM 151 CB SER A 11 -0.850 -6.485 -14.059 1.00 0.00 C ATOM 152 OG SER A 11 -1.474 -6.883 -12.845 1.00 0.00 O ATOM 0 H SER A 11 1.164 -6.617 -11.902 1.00 0.00 H new ATOM 0 HA SER A 11 0.983 -5.509 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.510 -5.827 -14.624 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.656 -7.355 -14.686 1.00 0.00 H new ATOM 0 HG SER A 11 -2.316 -7.343 -13.045 1.00 0.00 H new ATOM 158 N SER A 12 -0.603 -4.628 -11.879 1.00 0.00 N ATOM 159 CA SER A 12 -0.958 -3.429 -11.070 1.00 0.00 C ATOM 160 C SER A 12 -1.320 -3.863 -9.651 1.00 0.00 C ATOM 161 O SER A 12 -1.539 -5.029 -9.387 1.00 0.00 O ATOM 162 CB SER A 12 -2.153 -2.720 -11.704 1.00 0.00 C ATOM 163 OG SER A 12 -3.194 -3.663 -11.918 1.00 0.00 O ATOM 0 H SER A 12 -0.979 -5.512 -11.536 1.00 0.00 H new ATOM 0 HA SER A 12 -0.107 -2.748 -11.038 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.501 -1.917 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.860 -2.262 -12.649 1.00 0.00 H new ATOM 0 HG SER A 12 -3.965 -3.213 -12.323 1.00 0.00 H new ATOM 169 N LEU A 13 -1.379 -2.927 -8.731 1.00 0.00 N ATOM 170 CA LEU A 13 -1.720 -3.272 -7.315 1.00 0.00 C ATOM 171 C LEU A 13 -3.073 -2.660 -6.943 1.00 0.00 C ATOM 172 O LEU A 13 -3.321 -1.487 -7.147 1.00 0.00 O ATOM 173 CB LEU A 13 -0.635 -2.715 -6.384 1.00 0.00 C ATOM 174 CG LEU A 13 -0.982 -3.026 -4.917 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.132 -4.545 -4.716 1.00 0.00 C ATOM 176 CD2 LEU A 13 0.132 -2.488 -4.010 1.00 0.00 C ATOM 0 H LEU A 13 -1.205 -1.937 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.776 -4.355 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.331 -3.152 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.544 -1.638 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.927 -2.546 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.377 -4.752 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.929 -4.920 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.196 -5.040 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.109 -2.706 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.076 -2.965 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.221 -1.410 -4.144 1.00 0.00 H new ATOM 188 N ASN A 14 -3.948 -3.457 -6.388 1.00 0.00 N ATOM 189 CA ASN A 14 -5.288 -2.945 -5.985 1.00 0.00 C ATOM 190 C ASN A 14 -5.207 -2.337 -4.584 1.00 0.00 C ATOM 191 O ASN A 14 -4.468 -2.799 -3.735 1.00 0.00 O ATOM 192 CB ASN A 14 -6.290 -4.098 -5.976 1.00 0.00 C ATOM 193 CG ASN A 14 -6.549 -4.559 -7.412 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.288 -5.697 -7.754 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.056 -3.719 -8.273 1.00 0.00 N ATOM 0 H ASN A 14 -3.790 -4.446 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.610 -2.182 -6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.903 -4.925 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.223 -3.780 -5.511 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.233 -4.017 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.275 -2.765 -7.986 1.00 0.00 H new ATOM 202 N VAL A 15 -5.971 -1.302 -4.337 1.00 0.00 N ATOM 203 CA VAL A 15 -5.963 -0.644 -2.994 1.00 0.00 C ATOM 204 C VAL A 15 -7.303 -0.899 -2.308 1.00 0.00 C ATOM 205 O VAL A 15 -8.358 -0.708 -2.884 1.00 0.00 O ATOM 206 CB VAL A 15 -5.750 0.859 -3.170 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.014 1.582 -1.845 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.305 1.107 -3.605 1.00 0.00 C ATOM 0 H VAL A 15 -6.606 -0.881 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.158 -1.052 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.438 1.239 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.860 2.653 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.041 1.399 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.329 1.209 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.142 2.177 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.625 0.725 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.116 0.595 -4.549 1.00 0.00 H new ATOM 218 N ARG A 16 -7.263 -1.334 -1.076 1.00 0.00 N ATOM 219 CA ARG A 16 -8.519 -1.619 -0.323 1.00 0.00 C ATOM 220 C ARG A 16 -8.693 -0.595 0.798 1.00 0.00 C ATOM 221 O ARG A 16 -7.741 -0.130 1.394 1.00 0.00 O ATOM 222 CB ARG A 16 -8.428 -3.021 0.282 1.00 0.00 C ATOM 223 CG ARG A 16 -8.471 -4.061 -0.840 1.00 0.00 C ATOM 224 CD ARG A 16 -8.343 -5.461 -0.240 1.00 0.00 C ATOM 225 NE ARG A 16 -8.416 -6.483 -1.329 1.00 0.00 N ATOM 226 CZ ARG A 16 -7.334 -6.865 -1.958 1.00 0.00 C ATOM 227 NH1 ARG A 16 -6.174 -6.351 -1.654 1.00 0.00 N ATOM 228 NH2 ARG A 16 -7.419 -7.762 -2.902 1.00 0.00 N ATOM 0 H ARG A 16 -6.404 -1.506 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.372 -1.559 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.505 -3.124 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.252 -3.184 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.405 -3.975 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.662 -3.882 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.398 -5.553 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.139 -5.631 0.485 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.318 -6.886 -1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.105 -5.645 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.336 -6.655 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.325 -8.161 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.579 -8.064 -3.396 1.00 0.00 H new ATOM 242 N GLU A 17 -9.916 -0.251 1.088 1.00 0.00 N ATOM 243 CA GLU A 17 -10.193 0.731 2.172 1.00 0.00 C ATOM 244 C GLU A 17 -10.316 -0.024 3.498 1.00 0.00 C ATOM 245 O GLU A 17 -10.242 0.547 4.571 1.00 0.00 O ATOM 246 CB GLU A 17 -11.513 1.438 1.861 1.00 0.00 C ATOM 247 CG GLU A 17 -11.803 2.488 2.933 1.00 0.00 C ATOM 248 CD GLU A 17 -13.067 3.270 2.563 1.00 0.00 C ATOM 249 OE1 GLU A 17 -13.461 3.213 1.409 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.613 3.920 3.439 1.00 0.00 O ATOM 0 H GLU A 17 -10.744 -0.612 0.615 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.389 1.464 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.461 1.911 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.325 0.712 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.933 2.006 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.957 3.169 3.027 1.00 0.00 H new ATOM 257 N GLY A 18 -10.501 -1.313 3.427 1.00 0.00 N ATOM 258 CA GLY A 18 -10.633 -2.131 4.670 1.00 0.00 C ATOM 259 C GLY A 18 -9.279 -2.755 5.021 1.00 0.00 C ATOM 260 O GLY A 18 -8.261 -2.091 5.059 1.00 0.00 O ATOM 0 H GLY A 18 -10.567 -1.840 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.981 -1.507 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.379 -2.913 4.525 1.00 0.00 H new ATOM 264 N ALA A 19 -9.265 -4.032 5.282 1.00 0.00 N ATOM 265 CA ALA A 19 -7.991 -4.721 5.633 1.00 0.00 C ATOM 266 C ALA A 19 -8.099 -6.193 5.212 1.00 0.00 C ATOM 267 O ALA A 19 -7.154 -6.954 5.304 1.00 0.00 O ATOM 268 CB ALA A 19 -7.770 -4.628 7.147 1.00 0.00 C ATOM 0 H ALA A 19 -10.089 -4.634 5.267 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.152 -4.252 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.839 -5.130 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.713 -3.580 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.600 -5.107 7.666 1.00 0.00 H new ATOM 274 N SER A 20 -9.256 -6.597 4.756 1.00 0.00 N ATOM 275 CA SER A 20 -9.448 -8.018 4.335 1.00 0.00 C ATOM 276 C SER A 20 -8.934 -8.236 2.906 1.00 0.00 C ATOM 277 O SER A 20 -8.572 -7.309 2.207 1.00 0.00 O ATOM 278 CB SER A 20 -10.936 -8.373 4.394 1.00 0.00 C ATOM 279 OG SER A 20 -11.563 -7.975 3.182 1.00 0.00 O ATOM 0 H SER A 20 -10.079 -6.003 4.657 1.00 0.00 H new ATOM 0 HA SER A 20 -8.884 -8.658 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.060 -9.445 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.407 -7.875 5.241 1.00 0.00 H new ATOM 0 HG SER A 20 -11.986 -7.100 3.305 1.00 0.00 H new ATOM 285 N THR A 21 -8.903 -9.470 2.477 1.00 0.00 N ATOM 286 CA THR A 21 -8.423 -9.793 1.100 1.00 0.00 C ATOM 287 C THR A 21 -9.383 -9.214 0.055 1.00 0.00 C ATOM 288 O THR A 21 -8.986 -8.855 -1.038 1.00 0.00 O ATOM 289 CB THR A 21 -8.363 -11.315 0.943 1.00 0.00 C ATOM 290 OG1 THR A 21 -9.640 -11.866 1.237 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.328 -11.891 1.909 1.00 0.00 C ATOM 0 H THR A 21 -9.193 -10.278 3.028 1.00 0.00 H new ATOM 0 HA THR A 21 -7.435 -9.358 0.950 1.00 0.00 H new ATOM 0 HB THR A 21 -8.080 -11.564 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.607 -12.840 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.287 -12.974 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.349 -11.466 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.609 -11.644 2.933 1.00 0.00 H new ATOM 299 N SER A 22 -10.647 -9.128 0.374 1.00 0.00 N ATOM 300 CA SER A 22 -11.639 -8.581 -0.601 1.00 0.00 C ATOM 301 C SER A 22 -12.613 -7.665 0.144 1.00 0.00 C ATOM 302 O SER A 22 -13.810 -7.880 0.152 1.00 0.00 O ATOM 303 CB SER A 22 -12.403 -9.739 -1.250 1.00 0.00 C ATOM 304 OG SER A 22 -11.475 -10.626 -1.861 1.00 0.00 O ATOM 0 H SER A 22 -11.038 -9.414 1.272 1.00 0.00 H new ATOM 0 HA SER A 22 -11.127 -8.013 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.991 -10.268 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.103 -9.358 -1.993 1.00 0.00 H new ATOM 0 HG SER A 22 -11.959 -11.370 -2.277 1.00 0.00 H new ATOM 310 N SER A 23 -12.101 -6.645 0.777 1.00 0.00 N ATOM 311 CA SER A 23 -12.979 -5.703 1.532 1.00 0.00 C ATOM 312 C SER A 23 -13.675 -4.751 0.556 1.00 0.00 C ATOM 313 O SER A 23 -14.830 -4.920 0.213 1.00 0.00 O ATOM 314 CB SER A 23 -12.118 -4.892 2.504 1.00 0.00 C ATOM 315 OG SER A 23 -11.816 -5.680 3.648 1.00 0.00 O ATOM 0 H SER A 23 -11.106 -6.422 0.804 1.00 0.00 H new ATOM 0 HA SER A 23 -13.732 -6.267 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.197 -4.577 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.645 -3.986 2.803 1.00 0.00 H new ATOM 0 HG SER A 23 -11.867 -5.122 4.452 1.00 0.00 H new ATOM 321 N LYS A 24 -12.979 -3.747 0.103 1.00 0.00 N ATOM 322 CA LYS A 24 -13.601 -2.784 -0.848 1.00 0.00 C ATOM 323 C LYS A 24 -12.510 -2.077 -1.658 1.00 0.00 C ATOM 324 O LYS A 24 -11.724 -1.310 -1.136 1.00 0.00 O ATOM 325 CB LYS A 24 -14.420 -1.751 -0.070 1.00 0.00 C ATOM 326 CG LYS A 24 -15.142 -0.825 -1.052 1.00 0.00 C ATOM 327 CD LYS A 24 -16.011 0.166 -0.274 1.00 0.00 C ATOM 328 CE LYS A 24 -16.741 1.085 -1.255 1.00 0.00 C ATOM 329 NZ LYS A 24 -17.657 0.278 -2.111 1.00 0.00 N ATOM 0 H LYS A 24 -12.009 -3.551 0.349 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.257 -3.325 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.144 -2.254 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.767 -1.170 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.416 -0.288 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.760 -1.410 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.732 -0.372 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.392 0.756 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.308 1.839 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.020 1.616 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.381 0.899 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.112 -0.174 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.118 -0.454 -1.533 1.00 0.00 H new ATOM 343 N VAL A 25 -12.459 -2.336 -2.938 1.00 0.00 N ATOM 344 CA VAL A 25 -11.426 -1.689 -3.793 1.00 0.00 C ATOM 345 C VAL A 25 -11.874 -0.272 -4.155 1.00 0.00 C ATOM 346 O VAL A 25 -12.978 -0.055 -4.618 1.00 0.00 O ATOM 347 CB VAL A 25 -11.246 -2.509 -5.071 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.270 -1.798 -6.011 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.692 -3.888 -4.711 1.00 0.00 C ATOM 0 H VAL A 25 -13.091 -2.970 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.481 -1.641 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.209 -2.617 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.146 -2.387 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.663 -0.814 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.305 -1.686 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.562 -4.476 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.730 -3.775 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.389 -4.398 -4.045 1.00 0.00 H new ATOM 359 N ILE A 26 -11.015 0.695 -3.949 1.00 0.00 N ATOM 360 CA ILE A 26 -11.354 2.113 -4.277 1.00 0.00 C ATOM 361 C ILE A 26 -10.506 2.569 -5.466 1.00 0.00 C ATOM 362 O ILE A 26 -10.674 3.657 -5.985 1.00 0.00 O ATOM 363 CB ILE A 26 -11.065 2.989 -3.051 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.593 2.844 -2.636 1.00 0.00 C ATOM 365 CG2 ILE A 26 -11.963 2.546 -1.894 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.284 3.826 -1.504 1.00 0.00 C ATOM 0 H ILE A 26 -10.081 0.559 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.408 2.200 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.265 4.031 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.395 1.823 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.943 3.039 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.762 3.165 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.008 2.654 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.759 1.502 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.240 3.724 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.466 4.845 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.925 3.610 -0.650 1.00 0.00 H new ATOM 378 N GLY A 27 -9.593 1.747 -5.908 1.00 0.00 N ATOM 379 CA GLY A 27 -8.743 2.151 -7.062 1.00 0.00 C ATOM 380 C GLY A 27 -7.525 1.230 -7.169 1.00 0.00 C ATOM 381 O GLY A 27 -7.525 0.116 -6.684 1.00 0.00 O ATOM 0 H GLY A 27 -9.401 0.822 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.323 2.107 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.417 3.184 -6.939 1.00 0.00 H new ATOM 385 N SER A 28 -6.482 1.688 -7.814 1.00 0.00 N ATOM 386 CA SER A 28 -5.262 0.842 -7.965 1.00 0.00 C ATOM 387 C SER A 28 -4.033 1.735 -8.137 1.00 0.00 C ATOM 388 O SER A 28 -4.138 2.914 -8.414 1.00 0.00 O ATOM 389 CB SER A 28 -5.403 -0.055 -9.195 1.00 0.00 C ATOM 390 OG SER A 28 -5.414 0.753 -10.363 1.00 0.00 O ATOM 0 H SER A 28 -6.424 2.612 -8.242 1.00 0.00 H new ATOM 0 HA SER A 28 -5.146 0.225 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.578 -0.766 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.322 -0.637 -9.132 1.00 0.00 H new ATOM 0 HG SER A 28 -5.503 0.182 -11.155 1.00 0.00 H new ATOM 396 N LEU A 29 -2.863 1.167 -7.973 1.00 0.00 N ATOM 397 CA LEU A 29 -1.597 1.951 -8.118 1.00 0.00 C ATOM 398 C LEU A 29 -0.675 1.254 -9.117 1.00 0.00 C ATOM 399 O LEU A 29 -0.714 0.051 -9.290 1.00 0.00 O ATOM 400 CB LEU A 29 -0.896 2.036 -6.760 1.00 0.00 C ATOM 401 CG LEU A 29 -1.801 2.756 -5.751 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.117 2.762 -4.379 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.060 4.205 -6.208 1.00 0.00 C ATOM 0 H LEU A 29 -2.730 0.182 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.830 2.954 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.659 1.035 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.049 2.570 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.755 2.234 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.754 3.272 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.948 1.736 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.162 3.282 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.703 4.705 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.112 4.738 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.548 4.197 -7.183 1.00 0.00 H new ATOM 415 N SER A 30 0.151 2.013 -9.781 1.00 0.00 N ATOM 416 CA SER A 30 1.082 1.427 -10.784 1.00 0.00 C ATOM 417 C SER A 30 2.185 0.623 -10.090 1.00 0.00 C ATOM 418 O SER A 30 2.451 0.779 -8.913 1.00 0.00 O ATOM 419 CB SER A 30 1.715 2.554 -11.593 1.00 0.00 C ATOM 420 OG SER A 30 2.728 2.020 -12.435 1.00 0.00 O ATOM 0 H SER A 30 0.221 3.025 -9.670 1.00 0.00 H new ATOM 0 HA SER A 30 0.522 0.760 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.956 3.057 -12.193 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.140 3.302 -10.924 1.00 0.00 H new ATOM 0 HG SER A 30 3.134 2.743 -12.957 1.00 0.00 H new ATOM 426 N GLY A 31 2.823 -0.246 -10.826 1.00 0.00 N ATOM 427 CA GLY A 31 3.909 -1.083 -10.243 1.00 0.00 C ATOM 428 C GLY A 31 5.119 -0.220 -9.869 1.00 0.00 C ATOM 429 O GLY A 31 5.287 0.886 -10.346 1.00 0.00 O ATOM 0 H GLY A 31 2.636 -0.413 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.539 -1.602 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.209 -1.848 -10.959 1.00 0.00 H new ATOM 433 N ASN A 32 5.957 -0.737 -9.004 1.00 0.00 N ATOM 434 CA ASN A 32 7.171 0.011 -8.557 1.00 0.00 C ATOM 435 C ASN A 32 6.756 1.350 -7.940 1.00 0.00 C ATOM 436 O ASN A 32 7.584 2.159 -7.566 1.00 0.00 O ATOM 437 CB ASN A 32 8.117 0.255 -9.747 1.00 0.00 C ATOM 438 CG ASN A 32 8.756 -1.066 -10.179 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.782 -2.018 -9.423 1.00 0.00 O ATOM 440 ND2 ASN A 32 9.275 -1.165 -11.372 1.00 0.00 N ATOM 0 H ASN A 32 5.848 -1.660 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 32 7.695 -0.584 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.565 0.692 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.891 0.970 -9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.703 -2.041 -11.671 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.253 -0.366 -12.006 1.00 0.00 H new ATOM 447 N THR A 33 5.479 1.587 -7.824 1.00 0.00 N ATOM 448 CA THR A 33 5.008 2.869 -7.223 1.00 0.00 C ATOM 449 C THR A 33 5.304 2.891 -5.719 1.00 0.00 C ATOM 450 O THR A 33 5.094 1.924 -5.009 1.00 0.00 O ATOM 451 CB THR A 33 3.508 3.027 -7.463 1.00 0.00 C ATOM 452 OG1 THR A 33 3.255 2.998 -8.861 1.00 0.00 O ATOM 453 CG2 THR A 33 3.029 4.359 -6.884 1.00 0.00 C ATOM 0 H THR A 33 4.740 0.949 -8.119 1.00 0.00 H new ATOM 0 HA THR A 33 5.537 3.698 -7.694 1.00 0.00 H new ATOM 0 HB THR A 33 2.973 2.213 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.453 3.877 -9.248 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.958 4.467 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.227 4.382 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.560 5.178 -7.369 1.00 0.00 H new ATOM 461 N LYS A 34 5.799 3.998 -5.237 1.00 0.00 N ATOM 462 CA LYS A 34 6.126 4.114 -3.789 1.00 0.00 C ATOM 463 C LYS A 34 4.875 4.481 -2.992 1.00 0.00 C ATOM 464 O LYS A 34 4.067 5.285 -3.417 1.00 0.00 O ATOM 465 CB LYS A 34 7.174 5.207 -3.608 1.00 0.00 C ATOM 466 CG LYS A 34 8.499 4.739 -4.208 1.00 0.00 C ATOM 467 CD LYS A 34 9.512 5.889 -4.172 1.00 0.00 C ATOM 468 CE LYS A 34 9.846 6.262 -2.721 1.00 0.00 C ATOM 469 NZ LYS A 34 8.833 7.235 -2.219 1.00 0.00 N ATOM 0 H LYS A 34 5.992 4.833 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 34 6.508 3.159 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.846 6.126 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.301 5.434 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.882 3.885 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.348 4.406 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.421 5.598 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.106 6.756 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.852 5.369 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.844 6.697 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.315 8.087 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.190 7.497 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.288 6.801 -1.447 1.00 0.00 H new ATOM 483 N VAL A 35 4.718 3.898 -1.826 1.00 0.00 N ATOM 484 CA VAL A 35 3.527 4.206 -0.973 1.00 0.00 C ATOM 485 C VAL A 35 3.997 4.618 0.424 1.00 0.00 C ATOM 486 O VAL A 35 4.817 3.962 1.038 1.00 0.00 O ATOM 487 CB VAL A 35 2.630 2.971 -0.885 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.069 2.665 -2.274 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.438 1.768 -0.390 1.00 0.00 C ATOM 0 H VAL A 35 5.367 3.219 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 35 2.959 5.025 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 35 1.817 3.165 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.428 1.785 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.488 3.517 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.891 2.474 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.790 0.894 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.255 1.568 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.846 1.985 0.597 1.00 0.00 H new ATOM 499 N THR A 36 3.486 5.713 0.922 1.00 0.00 N ATOM 500 CA THR A 36 3.900 6.189 2.272 1.00 0.00 C ATOM 501 C THR A 36 3.155 5.401 3.347 1.00 0.00 C ATOM 502 O THR A 36 1.945 5.282 3.320 1.00 0.00 O ATOM 503 CB THR A 36 3.566 7.682 2.402 1.00 0.00 C ATOM 504 OG1 THR A 36 2.320 7.938 1.767 1.00 0.00 O ATOM 505 CG2 THR A 36 4.663 8.518 1.737 1.00 0.00 C ATOM 0 H THR A 36 2.798 6.299 0.449 1.00 0.00 H new ATOM 0 HA THR A 36 4.972 6.040 2.400 1.00 0.00 H new ATOM 0 HB THR A 36 3.503 7.951 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.689 7.220 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.422 9.577 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.618 8.319 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.732 8.255 0.682 1.00 0.00 H new ATOM 513 N ILE A 37 3.881 4.873 4.299 1.00 0.00 N ATOM 514 CA ILE A 37 3.252 4.091 5.404 1.00 0.00 C ATOM 515 C ILE A 37 3.402 4.858 6.716 1.00 0.00 C ATOM 516 O ILE A 37 4.483 5.289 7.082 1.00 0.00 O ATOM 517 CB ILE A 37 3.948 2.734 5.517 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.640 1.909 4.264 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.443 1.994 6.757 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.533 0.668 4.224 1.00 0.00 C ATOM 0 H ILE A 37 4.896 4.952 4.358 1.00 0.00 H new ATOM 0 HA ILE A 37 2.193 3.940 5.195 1.00 0.00 H new ATOM 0 HB ILE A 37 5.024 2.881 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.591 1.613 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.802 2.513 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.942 1.028 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.660 2.585 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.367 1.841 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.308 0.086 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.579 0.973 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.349 0.059 5.109 1.00 0.00 H new ATOM 532 N VAL A 38 2.313 5.026 7.425 1.00 0.00 N ATOM 533 CA VAL A 38 2.343 5.755 8.728 1.00 0.00 C ATOM 534 C VAL A 38 2.103 4.751 9.858 1.00 0.00 C ATOM 535 O VAL A 38 2.130 5.093 11.025 1.00 0.00 O ATOM 536 CB VAL A 38 1.241 6.823 8.736 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.484 7.807 7.591 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.128 6.160 8.549 1.00 0.00 C ATOM 0 H VAL A 38 1.392 4.683 7.151 1.00 0.00 H new ATOM 0 HA VAL A 38 3.310 6.239 8.867 1.00 0.00 H new ATOM 0 HB VAL A 38 1.259 7.351 9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.703 8.568 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.455 8.284 7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.467 7.272 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.906 6.923 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.148 5.629 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.305 5.455 9.361 1.00 0.00 H new ATOM 548 N GLY A 39 1.872 3.508 9.525 1.00 0.00 N ATOM 549 CA GLY A 39 1.638 2.495 10.594 1.00 0.00 C ATOM 550 C GLY A 39 1.366 1.121 9.974 1.00 0.00 C ATOM 551 O GLY A 39 1.321 0.964 8.769 1.00 0.00 O ATOM 0 H GLY A 39 1.836 3.154 8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.507 2.440 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.792 2.797 11.212 1.00 0.00 H new ATOM 555 N GLU A 40 1.183 0.119 10.802 1.00 0.00 N ATOM 556 CA GLU A 40 0.912 -1.256 10.295 1.00 0.00 C ATOM 557 C GLU A 40 -0.264 -1.855 11.059 1.00 0.00 C ATOM 558 O GLU A 40 -0.550 -1.484 12.181 1.00 0.00 O ATOM 559 CB GLU A 40 2.147 -2.136 10.513 1.00 0.00 C ATOM 560 CG GLU A 40 1.825 -3.590 10.123 1.00 0.00 C ATOM 561 CD GLU A 40 1.140 -4.323 11.286 1.00 0.00 C ATOM 562 OE1 GLU A 40 1.500 -4.063 12.423 1.00 0.00 O ATOM 563 OE2 GLU A 40 0.268 -5.134 11.017 1.00 0.00 O ATOM 0 H GLU A 40 1.211 0.201 11.818 1.00 0.00 H new ATOM 0 HA GLU A 40 0.678 -1.208 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.980 -1.765 9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.458 -2.090 11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.177 -3.602 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.743 -4.110 9.848 1.00 0.00 H new ATOM 570 N GLU A 41 -0.942 -2.794 10.458 1.00 0.00 N ATOM 571 CA GLU A 41 -2.094 -3.437 11.144 1.00 0.00 C ATOM 572 C GLU A 41 -2.327 -4.823 10.541 1.00 0.00 C ATOM 573 O GLU A 41 -2.667 -4.966 9.381 1.00 0.00 O ATOM 574 CB GLU A 41 -3.349 -2.577 10.966 1.00 0.00 C ATOM 575 CG GLU A 41 -4.503 -3.159 11.792 1.00 0.00 C ATOM 576 CD GLU A 41 -4.215 -2.974 13.285 1.00 0.00 C ATOM 577 OE1 GLU A 41 -3.250 -2.298 13.604 1.00 0.00 O ATOM 578 OE2 GLU A 41 -4.963 -3.512 14.083 1.00 0.00 O ATOM 0 H GLU A 41 -0.746 -3.143 9.520 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.878 -3.533 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.146 -1.553 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.628 -2.538 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.437 -2.664 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.628 -4.218 11.564 1.00 0.00 H new ATOM 585 N GLY A 42 -2.151 -5.843 11.333 1.00 0.00 N ATOM 586 CA GLY A 42 -2.364 -7.236 10.844 1.00 0.00 C ATOM 587 C GLY A 42 -1.367 -7.586 9.738 1.00 0.00 C ATOM 588 O GLY A 42 -0.214 -7.200 9.767 1.00 0.00 O ATOM 0 H GLY A 42 -1.865 -5.771 12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.255 -7.937 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.382 -7.342 10.468 1.00 0.00 H new ATOM 592 N ALA A 43 -1.811 -8.330 8.762 1.00 0.00 N ATOM 593 CA ALA A 43 -0.914 -8.729 7.643 1.00 0.00 C ATOM 594 C ALA A 43 -1.015 -7.688 6.528 1.00 0.00 C ATOM 595 O ALA A 43 -0.689 -7.950 5.383 1.00 0.00 O ATOM 596 CB ALA A 43 -1.355 -10.097 7.115 1.00 0.00 C ATOM 0 H ALA A 43 -2.766 -8.681 8.692 1.00 0.00 H new ATOM 0 HA ALA A 43 0.117 -8.789 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.703 -10.398 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.293 -10.833 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.383 -10.035 6.758 1.00 0.00 H new ATOM 602 N PHE A 44 -1.476 -6.505 6.855 1.00 0.00 N ATOM 603 CA PHE A 44 -1.618 -5.429 5.825 1.00 0.00 C ATOM 604 C PHE A 44 -0.972 -4.144 6.333 1.00 0.00 C ATOM 605 O PHE A 44 -0.911 -3.888 7.521 1.00 0.00 O ATOM 606 CB PHE A 44 -3.102 -5.177 5.554 1.00 0.00 C ATOM 607 CG PHE A 44 -3.743 -6.446 5.046 1.00 0.00 C ATOM 608 CD1 PHE A 44 -4.205 -7.406 5.952 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.880 -6.660 3.669 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.803 -8.582 5.483 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.477 -7.835 3.199 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.939 -8.796 4.106 1.00 0.00 C ATOM 0 H PHE A 44 -1.762 -6.237 7.797 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.125 -5.743 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.598 -4.846 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.218 -4.379 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.100 -7.240 7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.525 -5.918 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.159 -9.323 6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.581 -8.000 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.400 -9.703 3.744 1.00 0.00 H new ATOM 622 N TYR A 45 -0.483 -3.331 5.432 1.00 0.00 N ATOM 623 CA TYR A 45 0.176 -2.052 5.832 1.00 0.00 C ATOM 624 C TYR A 45 -0.770 -0.879 5.588 1.00 0.00 C ATOM 625 O TYR A 45 -1.480 -0.825 4.600 1.00 0.00 O ATOM 626 CB TYR A 45 1.450 -1.856 5.004 1.00 0.00 C ATOM 627 CG TYR A 45 2.538 -2.767 5.528 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.054 -2.562 6.813 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.033 -3.808 4.734 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.062 -3.397 7.305 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.044 -4.644 5.226 1.00 0.00 C ATOM 632 CZ TYR A 45 4.557 -4.437 6.512 1.00 0.00 C ATOM 633 OH TYR A 45 5.552 -5.260 6.998 1.00 0.00 O ATOM 0 H TYR A 45 -0.513 -3.501 4.427 1.00 0.00 H new ATOM 0 HA TYR A 45 0.427 -2.096 6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.252 -2.075 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.774 -0.817 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.673 -1.758 7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.636 -3.967 3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.458 -3.239 8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.427 -5.447 4.614 1.00 0.00 H new ATOM 0 HH TYR A 45 5.781 -5.931 6.322 1.00 0.00 H new ATOM 643 N LYS A 46 -0.777 0.067 6.490 1.00 0.00 N ATOM 644 CA LYS A 46 -1.664 1.251 6.335 1.00 0.00 C ATOM 645 C LYS A 46 -0.904 2.347 5.593 1.00 0.00 C ATOM 646 O LYS A 46 0.214 2.683 5.937 1.00 0.00 O ATOM 647 CB LYS A 46 -2.072 1.759 7.717 1.00 0.00 C ATOM 648 CG LYS A 46 -3.017 2.954 7.569 1.00 0.00 C ATOM 649 CD LYS A 46 -3.473 3.425 8.951 1.00 0.00 C ATOM 650 CE LYS A 46 -4.431 4.608 8.792 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.877 5.070 10.136 1.00 0.00 N ATOM 0 H LYS A 46 -0.201 0.068 7.332 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.556 0.976 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.562 0.963 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.188 2.050 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.513 3.766 7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.881 2.674 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.967 2.611 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.611 3.718 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.936 5.422 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.292 4.314 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.528 5.874 10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.364 4.293 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.050 5.366 10.693 1.00 0.00 H new ATOM 665 N ILE A 47 -1.505 2.905 4.571 1.00 0.00 N ATOM 666 CA ILE A 47 -0.828 3.982 3.786 1.00 0.00 C ATOM 667 C ILE A 47 -1.745 5.194 3.655 1.00 0.00 C ATOM 668 O ILE A 47 -2.953 5.098 3.764 1.00 0.00 O ATOM 669 CB ILE A 47 -0.477 3.453 2.394 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.696 2.761 1.778 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.671 2.451 2.515 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.431 2.493 0.294 1.00 0.00 C ATOM 0 H ILE A 47 -2.440 2.659 4.246 1.00 0.00 H new ATOM 0 HA ILE A 47 0.082 4.282 4.305 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.178 4.283 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.898 1.824 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.581 3.387 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.927 2.070 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.540 2.944 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.366 1.623 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.297 2.000 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.250 3.437 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.557 1.850 0.191 1.00 0.00 H new ATOM 684 N GLU A 48 -1.166 6.340 3.420 1.00 0.00 N ATOM 685 CA GLU A 48 -1.980 7.578 3.278 1.00 0.00 C ATOM 686 C GLU A 48 -2.534 7.664 1.854 1.00 0.00 C ATOM 687 O GLU A 48 -1.866 8.102 0.935 1.00 0.00 O ATOM 688 CB GLU A 48 -1.095 8.793 3.570 1.00 0.00 C ATOM 689 CG GLU A 48 -1.926 10.074 3.474 1.00 0.00 C ATOM 690 CD GLU A 48 -1.057 11.281 3.833 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.151 11.118 3.908 1.00 0.00 O ATOM 692 OE2 GLU A 48 -1.613 12.349 4.025 1.00 0.00 O ATOM 0 H GLU A 48 -0.159 6.471 3.320 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.813 7.558 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.658 8.706 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.268 8.831 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.323 10.187 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.781 10.016 4.148 1.00 0.00 H new ATOM 699 N TYR A 49 -3.757 7.244 1.666 1.00 0.00 N ATOM 700 CA TYR A 49 -4.367 7.291 0.309 1.00 0.00 C ATOM 701 C TYR A 49 -4.971 8.672 0.060 1.00 0.00 C ATOM 702 O TYR A 49 -5.485 9.314 0.956 1.00 0.00 O ATOM 703 CB TYR A 49 -5.455 6.226 0.199 1.00 0.00 C ATOM 704 CG TYR A 49 -6.087 6.306 -1.169 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.413 5.786 -2.280 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.343 6.905 -1.329 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.994 5.865 -3.551 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.923 6.985 -2.600 1.00 0.00 C ATOM 709 CZ TYR A 49 -7.248 6.464 -3.711 1.00 0.00 C ATOM 710 OH TYR A 49 -7.819 6.544 -4.965 1.00 0.00 O ATOM 0 H TYR A 49 -4.360 6.869 2.398 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.597 7.098 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.029 5.235 0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.209 6.378 0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.445 5.324 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.864 7.305 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.474 5.463 -4.408 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.891 7.448 -2.724 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.690 6.988 -4.900 1.00 0.00 H new ATOM 720 N LYS A 50 -4.900 9.136 -1.156 1.00 0.00 N ATOM 721 CA LYS A 50 -5.452 10.479 -1.483 1.00 0.00 C ATOM 722 C LYS A 50 -6.977 10.473 -1.336 1.00 0.00 C ATOM 723 O LYS A 50 -7.698 10.012 -2.201 1.00 0.00 O ATOM 724 CB LYS A 50 -5.071 10.836 -2.918 1.00 0.00 C ATOM 725 CG LYS A 50 -3.552 11.012 -3.005 1.00 0.00 C ATOM 726 CD LYS A 50 -3.151 11.351 -4.443 1.00 0.00 C ATOM 727 CE LYS A 50 -1.626 11.453 -4.540 1.00 0.00 C ATOM 728 NZ LYS A 50 -1.152 12.616 -3.738 1.00 0.00 N ATOM 0 H LYS A 50 -4.481 8.639 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.040 11.219 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.398 10.051 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.574 11.754 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.229 11.806 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.052 10.098 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.518 10.584 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.609 12.292 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.166 10.535 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.324 11.569 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.183 12.863 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.779 13.429 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.163 12.369 -2.728 1.00 0.00 H new ATOM 742 N GLY A 51 -7.466 10.990 -0.235 1.00 0.00 N ATOM 743 CA GLY A 51 -8.941 11.033 0.015 1.00 0.00 C ATOM 744 C GLY A 51 -9.268 10.182 1.246 1.00 0.00 C ATOM 745 O GLY A 51 -10.273 10.380 1.902 1.00 0.00 O ATOM 0 H GLY A 51 -6.897 11.390 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.265 12.062 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.481 10.658 -0.855 1.00 0.00 H new ATOM 749 N SER A 52 -8.424 9.239 1.573 1.00 0.00 N ATOM 750 CA SER A 52 -8.694 8.388 2.768 1.00 0.00 C ATOM 751 C SER A 52 -7.458 7.551 3.108 1.00 0.00 C ATOM 752 O SER A 52 -6.343 7.896 2.763 1.00 0.00 O ATOM 753 CB SER A 52 -9.863 7.451 2.479 1.00 0.00 C ATOM 754 OG SER A 52 -10.287 6.845 3.694 1.00 0.00 O ATOM 0 H SER A 52 -7.565 9.022 1.068 1.00 0.00 H new ATOM 0 HA SER A 52 -8.938 9.035 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.686 8.005 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.563 6.686 1.762 1.00 0.00 H new ATOM 0 HG SER A 52 -11.039 6.243 3.514 1.00 0.00 H new ATOM 760 N HIS A 53 -7.656 6.441 3.784 1.00 0.00 N ATOM 761 CA HIS A 53 -6.509 5.555 4.160 1.00 0.00 C ATOM 762 C HIS A 53 -6.550 4.274 3.323 1.00 0.00 C ATOM 763 O HIS A 53 -7.524 3.544 3.318 1.00 0.00 O ATOM 764 CB HIS A 53 -6.615 5.199 5.641 1.00 0.00 C ATOM 765 CG HIS A 53 -6.477 6.453 6.459 1.00 0.00 C ATOM 766 ND1 HIS A 53 -5.264 7.108 6.604 1.00 0.00 N ATOM 767 CD2 HIS A 53 -7.387 7.186 7.179 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.474 8.182 7.385 1.00 0.00 C ATOM 769 NE2 HIS A 53 -6.752 8.278 7.763 1.00 0.00 N ATOM 0 H HIS A 53 -8.570 6.111 4.092 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.570 6.076 3.973 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.573 4.720 5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.837 4.485 5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.437 6.951 7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.703 8.882 7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.172 8.997 8.353 1.00 0.00 H new ATOM 777 N GLY A 54 -5.489 4.004 2.609 1.00 0.00 N ATOM 778 CA GLY A 54 -5.437 2.782 1.755 1.00 0.00 C ATOM 779 C GLY A 54 -4.814 1.624 2.534 1.00 0.00 C ATOM 780 O GLY A 54 -3.962 1.815 3.379 1.00 0.00 O ATOM 0 H GLY A 54 -4.650 4.583 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.442 2.513 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.854 2.981 0.856 1.00 0.00 H new ATOM 784 N TYR A 55 -5.233 0.418 2.240 1.00 0.00 N ATOM 785 CA TYR A 55 -4.672 -0.780 2.937 1.00 0.00 C ATOM 786 C TYR A 55 -4.188 -1.787 1.896 1.00 0.00 C ATOM 787 O TYR A 55 -4.885 -2.099 0.948 1.00 0.00 O ATOM 788 CB TYR A 55 -5.759 -1.418 3.799 1.00 0.00 C ATOM 789 CG TYR A 55 -6.071 -0.503 4.958 1.00 0.00 C ATOM 790 CD1 TYR A 55 -5.258 -0.520 6.097 1.00 0.00 C ATOM 791 CD2 TYR A 55 -7.169 0.361 4.895 1.00 0.00 C ATOM 792 CE1 TYR A 55 -5.543 0.327 7.173 1.00 0.00 C ATOM 793 CE2 TYR A 55 -7.455 1.209 5.971 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.642 1.192 7.111 1.00 0.00 C ATOM 795 OH TYR A 55 -6.924 2.027 8.173 1.00 0.00 O ATOM 0 H TYR A 55 -5.946 0.211 1.541 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.837 -0.481 3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.656 -1.592 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.426 -2.389 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.410 -1.187 6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.796 0.374 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.915 0.314 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.303 1.876 5.922 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.719 2.562 7.966 1.00 0.00 H new ATOM 805 N VAL A 56 -2.993 -2.301 2.064 1.00 0.00 N ATOM 806 CA VAL A 56 -2.454 -3.295 1.083 1.00 0.00 C ATOM 807 C VAL A 56 -1.741 -4.425 1.825 1.00 0.00 C ATOM 808 O VAL A 56 -1.247 -4.256 2.924 1.00 0.00 O ATOM 809 CB VAL A 56 -1.471 -2.604 0.137 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.233 -1.624 -0.755 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.421 -1.843 0.948 1.00 0.00 C ATOM 0 H VAL A 56 -2.368 -2.075 2.838 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.281 -3.710 0.507 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.975 -3.353 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.535 -1.129 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.979 -2.166 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.729 -0.877 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.277 -1.352 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.913 -1.093 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.122 -2.541 1.586 1.00 0.00 H new ATOM 821 N ALA A 57 -1.693 -5.581 1.221 1.00 0.00 N ATOM 822 CA ALA A 57 -1.029 -6.754 1.860 1.00 0.00 C ATOM 823 C ALA A 57 0.498 -6.606 1.820 1.00 0.00 C ATOM 824 O ALA A 57 1.054 -5.981 0.938 1.00 0.00 O ATOM 825 CB ALA A 57 -1.442 -8.025 1.119 1.00 0.00 C ATOM 0 H ALA A 57 -2.091 -5.765 0.300 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.340 -6.811 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.961 -8.888 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.524 -8.142 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.136 -7.953 0.075 1.00 0.00 H new ATOM 831 N LYS A 58 1.173 -7.183 2.778 1.00 0.00 N ATOM 832 CA LYS A 58 2.665 -7.097 2.822 1.00 0.00 C ATOM 833 C LYS A 58 3.284 -7.867 1.647 1.00 0.00 C ATOM 834 O LYS A 58 4.426 -7.657 1.283 1.00 0.00 O ATOM 835 CB LYS A 58 3.163 -7.711 4.136 1.00 0.00 C ATOM 836 CG LYS A 58 2.600 -9.131 4.304 1.00 0.00 C ATOM 837 CD LYS A 58 3.370 -9.857 5.414 1.00 0.00 C ATOM 838 CE LYS A 58 3.153 -9.140 6.748 1.00 0.00 C ATOM 839 NZ LYS A 58 3.543 -10.040 7.871 1.00 0.00 N ATOM 0 H LYS A 58 0.752 -7.715 3.539 1.00 0.00 H new ATOM 0 HA LYS A 58 2.960 -6.050 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.253 -7.741 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.856 -7.088 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.539 -9.087 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.686 -9.681 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.033 -10.891 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.433 -9.885 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.744 -8.225 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.108 -8.848 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.394 -9.550 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.961 -10.901 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.546 -10.297 7.777 1.00 0.00 H new ATOM 853 N GLU A 59 2.549 -8.768 1.070 1.00 0.00 N ATOM 854 CA GLU A 59 3.096 -9.571 -0.062 1.00 0.00 C ATOM 855 C GLU A 59 3.379 -8.673 -1.272 1.00 0.00 C ATOM 856 O GLU A 59 4.299 -8.909 -2.033 1.00 0.00 O ATOM 857 CB GLU A 59 2.079 -10.645 -0.444 1.00 0.00 C ATOM 858 CG GLU A 59 2.649 -11.528 -1.555 1.00 0.00 C ATOM 859 CD GLU A 59 1.666 -12.657 -1.871 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.759 -12.866 -1.080 1.00 0.00 O ATOM 861 OE2 GLU A 59 1.835 -13.294 -2.897 1.00 0.00 O ATOM 0 H GLU A 59 1.588 -8.988 1.331 1.00 0.00 H new ATOM 0 HA GLU A 59 4.032 -10.036 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.835 -11.253 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.152 -10.179 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.833 -10.932 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.608 -11.944 -1.247 1.00 0.00 H new ATOM 868 N TYR A 60 2.598 -7.647 -1.465 1.00 0.00 N ATOM 869 CA TYR A 60 2.831 -6.745 -2.632 1.00 0.00 C ATOM 870 C TYR A 60 3.825 -5.651 -2.238 1.00 0.00 C ATOM 871 O TYR A 60 4.150 -4.779 -3.023 1.00 0.00 O ATOM 872 CB TYR A 60 1.504 -6.102 -3.045 1.00 0.00 C ATOM 873 CG TYR A 60 0.512 -7.187 -3.396 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.750 -8.017 -4.497 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.644 -7.366 -2.622 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.164 -9.025 -4.826 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.558 -8.374 -2.952 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.318 -9.204 -4.053 1.00 0.00 C ATOM 879 OH TYR A 60 -2.217 -10.198 -4.378 1.00 0.00 O ATOM 0 H TYR A 60 1.811 -7.393 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 60 3.235 -7.320 -3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.116 -5.487 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.656 -5.442 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.640 -7.880 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.829 -6.726 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.021 -9.665 -5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.449 -8.511 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.961 -10.187 -3.741 1.00 0.00 H new ATOM 889 N ILE A 61 4.311 -5.691 -1.023 1.00 0.00 N ATOM 890 CA ILE A 61 5.288 -4.656 -0.559 1.00 0.00 C ATOM 891 C ILE A 61 6.670 -5.287 -0.432 1.00 0.00 C ATOM 892 O ILE A 61 6.849 -6.306 0.207 1.00 0.00 O ATOM 893 CB ILE A 61 4.844 -4.106 0.798 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.405 -3.580 0.694 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.773 -2.969 1.221 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.276 -2.573 -0.461 1.00 0.00 C ATOM 0 H ILE A 61 4.073 -6.399 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 61 5.328 -3.840 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 61 4.887 -4.903 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.719 -4.412 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.118 -3.104 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.454 -2.579 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.794 -3.343 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.735 -2.172 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.249 -2.213 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.946 -1.731 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.541 -3.060 -1.399 1.00 0.00 H new ATOM 908 N LYS A 62 7.652 -4.687 -1.055 1.00 0.00 N ATOM 909 CA LYS A 62 9.034 -5.244 -1.000 1.00 0.00 C ATOM 910 C LYS A 62 10.059 -4.115 -0.871 1.00 0.00 C ATOM 911 O LYS A 62 9.857 -3.007 -1.338 1.00 0.00 O ATOM 912 CB LYS A 62 9.313 -6.030 -2.281 1.00 0.00 C ATOM 913 CG LYS A 62 10.696 -6.677 -2.187 1.00 0.00 C ATOM 914 CD LYS A 62 10.934 -7.581 -3.403 1.00 0.00 C ATOM 915 CE LYS A 62 11.122 -6.733 -4.668 1.00 0.00 C ATOM 916 NZ LYS A 62 11.737 -7.569 -5.737 1.00 0.00 N ATOM 0 H LYS A 62 7.554 -3.831 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 62 9.116 -5.899 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.550 -6.795 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.267 -5.367 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.465 -5.906 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.773 -7.260 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.816 -8.200 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.089 -8.258 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.161 -6.343 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.757 -5.874 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.865 -6.996 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.661 -7.921 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.115 -8.375 -5.949 1.00 0.00 H new ATOM 930 N ASP A 63 11.164 -4.407 -0.238 1.00 0.00 N ATOM 931 CA ASP A 63 12.241 -3.391 -0.054 1.00 0.00 C ATOM 932 C ASP A 63 11.674 -2.131 0.607 1.00 0.00 C ATOM 933 O ASP A 63 11.527 -1.094 -0.013 1.00 0.00 O ATOM 934 CB ASP A 63 12.869 -3.043 -1.409 1.00 0.00 C ATOM 935 CG ASP A 63 13.732 -4.220 -1.880 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.018 -5.083 -1.065 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.093 -4.240 -3.044 1.00 0.00 O ATOM 0 H ASP A 63 11.369 -5.321 0.166 1.00 0.00 H new ATOM 0 HA ASP A 63 13.011 -3.807 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.090 -2.832 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.477 -2.143 -1.321 1.00 0.00 H new ATOM 942 N ILE A 64 11.361 -2.215 1.874 1.00 0.00 N ATOM 943 CA ILE A 64 10.812 -1.029 2.592 1.00 0.00 C ATOM 944 C ILE A 64 11.961 -0.229 3.203 1.00 0.00 C ATOM 945 O ILE A 64 12.662 -0.691 4.083 1.00 0.00 O ATOM 946 CB ILE A 64 9.867 -1.497 3.698 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.664 -2.200 3.063 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.388 -0.288 4.507 1.00 0.00 C ATOM 949 CD1 ILE A 64 7.829 -2.886 4.145 1.00 0.00 C ATOM 0 H ILE A 64 11.463 -3.056 2.442 1.00 0.00 H new ATOM 0 HA ILE A 64 10.264 -0.399 1.891 1.00 0.00 H new ATOM 0 HB ILE A 64 10.388 -2.188 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.052 -1.477 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.005 -2.935 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.714 -0.622 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.246 0.215 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.862 0.404 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.975 -3.384 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.442 -3.623 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.474 -2.141 4.858 1.00 0.00 H new ATOM 961 N LYS A 65 12.158 0.979 2.739 1.00 0.00 N ATOM 962 CA LYS A 65 13.263 1.826 3.281 1.00 0.00 C ATOM 963 C LYS A 65 12.809 3.282 3.372 1.00 0.00 C ATOM 964 O LYS A 65 11.992 3.743 2.598 1.00 0.00 O ATOM 965 CB LYS A 65 14.482 1.728 2.365 1.00 0.00 C ATOM 966 CG LYS A 65 15.106 0.339 2.508 1.00 0.00 C ATOM 967 CD LYS A 65 16.336 0.238 1.606 1.00 0.00 C ATOM 968 CE LYS A 65 17.029 -1.104 1.840 1.00 0.00 C ATOM 969 NZ LYS A 65 16.109 -2.213 1.462 1.00 0.00 N ATOM 0 H LYS A 65 11.599 1.416 2.006 1.00 0.00 H new ATOM 0 HA LYS A 65 13.527 1.471 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.189 1.904 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.210 2.496 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.387 0.160 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.380 -0.427 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.042 0.331 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.024 1.057 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.944 -1.160 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.318 -1.198 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.654 -3.091 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.399 -2.345 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.631 -1.978 0.568 1.00 0.00 H new ATOM 983 N ASP A 66 13.340 4.005 4.317 1.00 0.00 N ATOM 984 CA ASP A 66 12.956 5.436 4.482 1.00 0.00 C ATOM 985 C ASP A 66 13.452 6.262 3.290 1.00 0.00 C ATOM 986 O ASP A 66 14.533 6.053 2.775 1.00 0.00 O ATOM 987 CB ASP A 66 13.582 5.975 5.769 1.00 0.00 C ATOM 988 CG ASP A 66 12.844 5.397 6.979 1.00 0.00 C ATOM 989 OD1 ASP A 66 11.753 4.888 6.794 1.00 0.00 O ATOM 990 OD2 ASP A 66 13.386 5.472 8.069 1.00 0.00 O ATOM 0 H ASP A 66 14.029 3.664 4.988 1.00 0.00 H new ATOM 0 HA ASP A 66 11.870 5.511 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.638 5.707 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.529 7.064 5.783 1.00 0.00 H new ATOM 995 N GLU A 67 12.663 7.207 2.857 1.00 0.00 N ATOM 996 CA GLU A 67 13.071 8.063 1.712 1.00 0.00 C ATOM 997 C GLU A 67 12.126 9.271 1.638 1.00 0.00 C ATOM 998 O GLU A 67 11.232 9.329 0.816 1.00 0.00 O ATOM 999 CB GLU A 67 13.000 7.257 0.409 1.00 0.00 C ATOM 1000 CG GLU A 67 13.501 8.121 -0.749 1.00 0.00 C ATOM 1001 CD GLU A 67 13.548 7.288 -2.032 1.00 0.00 C ATOM 1002 OE1 GLU A 67 13.017 6.190 -2.022 1.00 0.00 O ATOM 1003 OE2 GLU A 67 14.116 7.763 -3.001 1.00 0.00 O ATOM 0 H GLU A 67 11.747 7.423 3.251 1.00 0.00 H new ATOM 0 HA GLU A 67 14.096 8.407 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.606 6.355 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.975 6.937 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.844 8.980 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.493 8.512 -0.521 1.00 0.00 H new ATOM 1010 N VAL A 68 12.316 10.237 2.504 1.00 0.00 N ATOM 1011 CA VAL A 68 11.434 11.449 2.501 1.00 0.00 C ATOM 1012 C VAL A 68 12.097 12.554 1.674 1.00 0.00 C ATOM 1013 O VAL A 68 11.509 13.585 1.409 1.00 0.00 O ATOM 1014 CB VAL A 68 11.233 11.938 3.940 1.00 0.00 C ATOM 1015 CG1 VAL A 68 10.266 13.130 3.953 1.00 0.00 C ATOM 1016 CG2 VAL A 68 10.656 10.802 4.791 1.00 0.00 C ATOM 0 H VAL A 68 13.047 10.239 3.216 1.00 0.00 H new ATOM 0 HA VAL A 68 10.467 11.197 2.066 1.00 0.00 H new ATOM 0 HB VAL A 68 12.193 12.249 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.126 13.474 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.679 13.940 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.305 12.824 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.513 11.150 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.698 10.488 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.346 9.958 4.788 1.00 0.00 H new ATOM 1026 N LEU A 69 13.321 12.339 1.269 1.00 0.00 N ATOM 1027 CA LEU A 69 14.053 13.358 0.453 1.00 0.00 C ATOM 1028 C LEU A 69 14.188 14.677 1.223 1.00 0.00 C ATOM 1029 O LEU A 69 13.217 15.306 1.602 1.00 0.00 O ATOM 1030 CB LEU A 69 13.317 13.595 -0.872 1.00 0.00 C ATOM 1031 CG LEU A 69 13.089 12.251 -1.572 1.00 0.00 C ATOM 1032 CD1 LEU A 69 12.325 12.485 -2.877 1.00 0.00 C ATOM 1033 CD2 LEU A 69 14.442 11.582 -1.876 1.00 0.00 C ATOM 0 H LEU A 69 13.852 11.492 1.470 1.00 0.00 H new ATOM 0 HA LEU A 69 15.053 12.979 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.363 14.089 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.900 14.257 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 69 12.509 11.597 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.161 11.531 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.364 12.950 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.906 13.141 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.272 10.627 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.031 12.230 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.983 11.415 -0.944 1.00 0.00 H new ATOM 1045 N GLU A 70 15.406 15.092 1.447 1.00 0.00 N ATOM 1046 CA GLU A 70 15.657 16.360 2.187 1.00 0.00 C ATOM 1047 C GLU A 70 15.048 17.548 1.440 1.00 0.00 C ATOM 1048 O GLU A 70 14.953 17.564 0.227 1.00 0.00 O ATOM 1049 CB GLU A 70 17.166 16.563 2.342 1.00 0.00 C ATOM 1050 CG GLU A 70 17.720 15.510 3.304 1.00 0.00 C ATOM 1051 CD GLU A 70 19.240 15.655 3.409 1.00 0.00 C ATOM 1052 OE1 GLU A 70 19.779 16.532 2.755 1.00 0.00 O ATOM 1053 OE2 GLU A 70 19.839 14.885 4.142 1.00 0.00 O ATOM 0 H GLU A 70 16.247 14.600 1.145 1.00 0.00 H new ATOM 0 HA GLU A 70 15.191 16.296 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.657 16.481 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 70 17.373 17.564 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.265 15.627 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.464 14.511 2.951 1.00 0.00 H new ATOM 1060 N HIS A 71 14.623 18.538 2.172 1.00 0.00 N ATOM 1061 CA HIS A 71 14.001 19.737 1.546 1.00 0.00 C ATOM 1062 C HIS A 71 15.027 20.522 0.723 1.00 0.00 C ATOM 1063 O HIS A 71 16.216 20.262 0.758 1.00 0.00 O ATOM 1064 CB HIS A 71 13.451 20.638 2.648 1.00 0.00 C ATOM 1065 CG HIS A 71 12.589 21.709 2.041 1.00 0.00 C ATOM 1066 ND1 HIS A 71 13.112 22.908 1.584 1.00 0.00 N ATOM 1067 CD2 HIS A 71 11.239 21.774 1.809 1.00 0.00 C ATOM 1068 CE1 HIS A 71 12.089 23.638 1.103 1.00 0.00 C ATOM 1069 NE2 HIS A 71 10.924 22.994 1.217 1.00 0.00 N ATOM 0 H HIS A 71 14.681 18.568 3.190 1.00 0.00 H new ATOM 0 HA HIS A 71 13.202 19.410 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.870 20.049 3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 71 14.271 21.090 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.528 20.997 2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.197 24.624 0.677 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.002 23.325 0.932 1.00 0.00 H new ATOM 1077 N HIS A 72 14.558 21.488 -0.019 1.00 0.00 N ATOM 1078 CA HIS A 72 15.469 22.314 -0.857 1.00 0.00 C ATOM 1079 C HIS A 72 16.322 21.399 -1.742 1.00 0.00 C ATOM 1080 O HIS A 72 17.466 21.103 -1.449 1.00 0.00 O ATOM 1081 CB HIS A 72 16.362 23.172 0.044 1.00 0.00 C ATOM 1082 CG HIS A 72 17.205 24.083 -0.805 1.00 0.00 C ATOM 1083 ND1 HIS A 72 16.655 25.110 -1.557 1.00 0.00 N ATOM 1084 CD2 HIS A 72 18.557 24.139 -1.026 1.00 0.00 C ATOM 1085 CE1 HIS A 72 17.664 25.735 -2.189 1.00 0.00 C ATOM 1086 NE2 HIS A 72 18.846 25.183 -1.900 1.00 0.00 N ATOM 0 H HIS A 72 13.572 21.742 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 72 14.882 22.973 -1.496 1.00 0.00 H new ATOM 0 HB2 HIS A 72 15.749 23.759 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 72 17.000 22.534 0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 72 19.287 23.474 -0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 72 17.535 26.580 -2.849 1.00 0.00 H new ATOM 0 HE2 HIS A 72 19.763 25.466 -2.246 1.00 0.00 H new ATOM 1094 N HIS A 73 15.761 20.954 -2.832 1.00 0.00 N ATOM 1095 CA HIS A 73 16.507 20.063 -3.767 1.00 0.00 C ATOM 1096 C HIS A 73 17.655 20.844 -4.415 1.00 0.00 C ATOM 1097 O HIS A 73 18.733 20.324 -4.639 1.00 0.00 O ATOM 1098 CB HIS A 73 15.553 19.574 -4.860 1.00 0.00 C ATOM 1099 CG HIS A 73 14.596 18.565 -4.285 1.00 0.00 C ATOM 1100 ND1 HIS A 73 13.461 18.939 -3.581 1.00 0.00 N ATOM 1101 CD2 HIS A 73 14.591 17.193 -4.302 1.00 0.00 C ATOM 1102 CE1 HIS A 73 12.828 17.812 -3.206 1.00 0.00 C ATOM 1103 NE2 HIS A 73 13.474 16.720 -3.620 1.00 0.00 N ATOM 0 H HIS A 73 14.807 21.172 -3.119 1.00 0.00 H new ATOM 0 HA HIS A 73 16.911 19.213 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 73 15.001 20.416 -5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 73 16.119 19.128 -5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 73 15.340 16.574 -4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.909 17.794 -2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.206 15.747 -3.469 1.00 0.00 H new ATOM 1111 N HIS A 74 17.424 22.088 -4.732 1.00 0.00 N ATOM 1112 CA HIS A 74 18.487 22.906 -5.383 1.00 0.00 C ATOM 1113 C HIS A 74 19.738 22.951 -4.500 1.00 0.00 C ATOM 1114 O HIS A 74 19.697 23.350 -3.351 1.00 0.00 O ATOM 1115 CB HIS A 74 17.964 24.324 -5.611 1.00 0.00 C ATOM 1116 CG HIS A 74 18.964 25.109 -6.414 1.00 0.00 C ATOM 1117 ND1 HIS A 74 20.042 25.753 -5.825 1.00 0.00 N ATOM 1118 CD2 HIS A 74 19.063 25.365 -7.759 1.00 0.00 C ATOM 1119 CE1 HIS A 74 20.737 26.358 -6.806 1.00 0.00 C ATOM 1120 NE2 HIS A 74 20.183 26.154 -8.005 1.00 0.00 N ATOM 0 H HIS A 74 16.543 22.575 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 74 18.751 22.454 -6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.009 24.290 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.786 24.815 -4.654 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.376 25.008 -8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.634 26.938 -6.644 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.510 26.502 -8.906 1.00 0.00 H new ATOM 1128 N HIS A 75 20.852 22.538 -5.039 1.00 0.00 N ATOM 1129 CA HIS A 75 22.116 22.540 -4.254 1.00 0.00 C ATOM 1130 C HIS A 75 22.735 23.941 -4.261 1.00 0.00 C ATOM 1131 O HIS A 75 22.902 24.562 -5.294 1.00 0.00 O ATOM 1132 CB HIS A 75 23.091 21.537 -4.873 1.00 0.00 C ATOM 1133 CG HIS A 75 24.426 21.639 -4.189 1.00 0.00 C ATOM 1134 ND1 HIS A 75 24.634 21.164 -2.905 1.00 0.00 N ATOM 1135 CD2 HIS A 75 25.629 22.160 -4.597 1.00 0.00 C ATOM 1136 CE1 HIS A 75 25.918 21.407 -2.586 1.00 0.00 C ATOM 1137 NE2 HIS A 75 26.570 22.013 -3.583 1.00 0.00 N ATOM 0 H HIS A 75 20.940 22.197 -5.996 1.00 0.00 H new ATOM 0 HA HIS A 75 21.905 22.256 -3.223 1.00 0.00 H new ATOM 0 HB2 HIS A 75 22.698 20.525 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 75 23.202 21.734 -5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 75 25.816 22.615 -5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 75 26.367 21.144 -1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 75 27.547 22.305 -3.597 1.00 0.00 H new ATOM 1145 N HIS A 76 23.080 24.436 -3.106 1.00 0.00 N ATOM 1146 CA HIS A 76 23.695 25.790 -3.013 1.00 0.00 C ATOM 1147 C HIS A 76 24.893 25.888 -3.965 1.00 0.00 C ATOM 1148 O HIS A 76 25.974 25.485 -3.569 1.00 0.00 O ATOM 1149 CB HIS A 76 24.165 26.013 -1.575 1.00 0.00 C ATOM 1150 CG HIS A 76 22.973 26.027 -0.654 1.00 0.00 C ATOM 1151 ND1 HIS A 76 21.621 26.036 -0.900 1.00 0.00 N flip ATOM 1152 CD2 HIS A 76 23.104 26.033 0.728 1.00 0.00 C flip ATOM 1153 CE1 HIS A 76 20.924 26.050 0.305 1.00 0.00 C flip ATOM 1154 NE2 HIS A 76 21.864 26.047 1.253 1.00 0.00 N flip ATOM 1155 OXT HIS A 76 24.709 26.369 -5.073 1.00 0.00 O ATOM 0 H HIS A 76 22.961 23.956 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 76 22.962 26.548 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 76 24.856 25.224 -1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 76 24.707 26.956 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 76 24.031 26.027 1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 76 19.853 26.061 0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 76 21.667 26.054 2.254 1.00 0.00 H new TER 1163 HIS A 76