USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -53:sc= 0.566 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0152 USER MOD Single : A -2 GLY N :NH3+ -107:sc= 0.0801 (180deg=0) USER MOD Single : A 11 TYR OH : rot 58:sc= 0.217 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -46:sc= 0.92 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -118:sc= 0.604 USER MOD Single : A 33 ASN : amide:sc= 0.0924 K(o=0.092,f=-0.65) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 0.858 (180deg=-0.239) USER MOD Single : A 37 CYS SG : rot 37:sc= -0.0412 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0307) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 44 SER OG : rot -31:sc= 0.0677 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.291 (180deg=0.285) USER MOD Single : A 69 CYS SG : rot 32:sc= 0.0435 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= -0.0324 (180deg=-0.303) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -23.733 9.506 3.083 1.00 74.11 N ATOM 2 CA GLY A -2 -22.575 8.824 3.724 1.00 21.25 C ATOM 3 C GLY A -2 -21.405 9.769 3.926 1.00 2.10 C ATOM 4 O GLY A -2 -21.344 10.821 3.288 1.00 0.34 O ATOM 0 H1 GLY A -2 -24.484 9.651 3.788 1.00 74.11 H new ATOM 0 H2 GLY A -2 -23.429 10.427 2.707 1.00 74.11 H new ATOM 0 H3 GLY A -2 -24.096 8.917 2.306 1.00 74.11 H new ATOM 0 HA2 GLY A -2 -22.882 8.415 4.686 1.00 21.25 H new ATOM 0 HA3 GLY A -2 -22.261 7.983 3.106 1.00 21.25 H new ATOM 10 N SER A -1 -20.477 9.395 4.805 1.00 2.34 N ATOM 11 CA SER A -1 -19.335 10.243 5.145 1.00 64.24 C ATOM 12 C SER A -1 -18.015 9.536 4.767 1.00 20.04 C ATOM 13 O SER A -1 -18.035 8.438 4.206 1.00 20.11 O ATOM 14 CB SER A -1 -19.389 10.571 6.649 1.00 52.13 C ATOM 15 OG SER A -1 -18.565 11.677 6.988 1.00 3.03 O ATOM 0 H SER A -1 -20.494 8.503 5.299 1.00 2.34 H new ATOM 0 HA SER A -1 -19.379 11.175 4.581 1.00 64.24 H new ATOM 0 HB2 SER A -1 -20.418 10.786 6.935 1.00 52.13 H new ATOM 0 HB3 SER A -1 -19.075 9.698 7.221 1.00 52.13 H new ATOM 0 HG SER A -1 -18.631 11.851 7.950 1.00 3.03 H new ATOM 21 N HIS A 0 -16.875 10.179 5.059 1.00 4.21 N ATOM 22 CA HIS A 0 -15.550 9.638 4.718 1.00 73.51 C ATOM 23 C HIS A 0 -14.608 9.680 5.921 1.00 40.25 C ATOM 24 O HIS A 0 -14.762 10.519 6.810 1.00 74.23 O ATOM 25 CB HIS A 0 -14.924 10.417 3.549 1.00 30.34 C ATOM 26 CG HIS A 0 -15.477 10.045 2.204 1.00 72.34 C ATOM 27 ND1 HIS A 0 -16.508 10.721 1.594 1.00 1.14 N ATOM 28 CD2 HIS A 0 -15.118 9.061 1.346 1.00 32.10 C ATOM 29 CE1 HIS A 0 -16.767 10.165 0.427 1.00 23.34 C ATOM 30 NE2 HIS A 0 -15.935 9.157 0.247 1.00 34.31 N ATOM 0 H HIS A 0 -16.844 11.081 5.534 1.00 4.21 H new ATOM 0 HA HIS A 0 -15.691 8.599 4.420 1.00 73.51 H new ATOM 0 HB2 HIS A 0 -15.079 11.484 3.712 1.00 30.34 H new ATOM 0 HB3 HIS A 0 -13.847 10.248 3.548 1.00 30.34 H new ATOM 0 HD2 HIS A 0 -14.333 8.335 1.498 1.00 32.10 H new ATOM 0 HE1 HIS A 0 -17.532 10.482 -0.266 1.00 23.34 H new ATOM 0 HE2 HIS A 0 -15.904 8.550 -0.572 1.00 34.31 H new ATOM 39 N MET A 1 -13.628 8.767 5.940 1.00 22.20 N ATOM 40 CA MET A 1 -12.675 8.669 7.051 1.00 55.21 C ATOM 41 C MET A 1 -11.263 9.055 6.602 1.00 3.34 C ATOM 42 O MET A 1 -10.849 8.733 5.485 1.00 3.13 O ATOM 43 CB MET A 1 -12.662 7.247 7.654 1.00 62.23 C ATOM 44 CG MET A 1 -13.993 6.811 8.271 1.00 4.42 C ATOM 45 SD MET A 1 -15.100 5.996 7.095 1.00 32.11 S ATOM 46 CE MET A 1 -14.643 4.273 7.313 1.00 24.01 C ATOM 0 H MET A 1 -13.475 8.085 5.197 1.00 22.20 H new ATOM 0 HA MET A 1 -13.002 9.369 7.819 1.00 55.21 H new ATOM 0 HB2 MET A 1 -12.387 6.537 6.874 1.00 62.23 H new ATOM 0 HB3 MET A 1 -11.887 7.197 8.419 1.00 62.23 H new ATOM 0 HG2 MET A 1 -13.795 6.133 9.101 1.00 4.42 H new ATOM 0 HG3 MET A 1 -14.496 7.685 8.686 1.00 4.42 H new ATOM 0 HE1 MET A 1 -15.245 3.650 6.651 1.00 24.01 H new ATOM 0 HE2 MET A 1 -13.588 4.143 7.074 1.00 24.01 H new ATOM 0 HE3 MET A 1 -14.819 3.978 8.347 1.00 24.01 H new ATOM 56 N VAL A 2 -10.537 9.765 7.472 1.00 21.34 N ATOM 57 CA VAL A 2 -9.180 10.242 7.165 1.00 13.34 C ATOM 58 C VAL A 2 -8.174 9.658 8.170 1.00 14.35 C ATOM 59 O VAL A 2 -8.392 9.733 9.385 1.00 43.12 O ATOM 60 CB VAL A 2 -9.104 11.809 7.205 1.00 34.20 C ATOM 61 CG1 VAL A 2 -7.722 12.324 6.809 1.00 41.12 C ATOM 62 CG2 VAL A 2 -10.164 12.445 6.308 1.00 5.42 C ATOM 0 H VAL A 2 -10.868 10.025 8.401 1.00 21.34 H new ATOM 0 HA VAL A 2 -8.931 9.908 6.158 1.00 13.34 H new ATOM 0 HB VAL A 2 -9.297 12.099 8.238 1.00 34.20 H new ATOM 0 HG11 VAL A 2 -7.714 13.413 6.850 1.00 41.12 H new ATOM 0 HG12 VAL A 2 -6.975 11.929 7.498 1.00 41.12 H new ATOM 0 HG13 VAL A 2 -7.489 11.998 5.795 1.00 41.12 H new ATOM 0 HG21 VAL A 2 -10.082 13.531 6.361 1.00 5.42 H new ATOM 0 HG22 VAL A 2 -10.013 12.119 5.279 1.00 5.42 H new ATOM 0 HG23 VAL A 2 -11.155 12.140 6.643 1.00 5.42 H new ATOM 72 N ILE A 3 -7.088 9.059 7.670 1.00 71.12 N ATOM 73 CA ILE A 3 -6.035 8.519 8.541 1.00 61.30 C ATOM 74 C ILE A 3 -4.704 9.243 8.322 1.00 11.15 C ATOM 75 O ILE A 3 -4.537 9.968 7.337 1.00 75.41 O ATOM 76 CB ILE A 3 -5.829 6.980 8.358 1.00 30.31 C ATOM 77 CG1 ILE A 3 -5.544 6.592 6.895 1.00 31.42 C ATOM 78 CG2 ILE A 3 -7.027 6.199 8.878 1.00 14.02 C ATOM 79 CD1 ILE A 3 -4.083 6.294 6.614 1.00 73.14 C ATOM 0 H ILE A 3 -6.914 8.936 6.673 1.00 71.12 H new ATOM 0 HA ILE A 3 -6.376 8.691 9.562 1.00 61.30 H new ATOM 0 HB ILE A 3 -4.950 6.717 8.946 1.00 30.31 H new ATOM 0 HG12 ILE A 3 -6.140 5.716 6.639 1.00 31.42 H new ATOM 0 HG13 ILE A 3 -5.872 7.402 6.244 1.00 31.42 H new ATOM 0 HG21 ILE A 3 -6.855 5.132 8.737 1.00 14.02 H new ATOM 0 HG22 ILE A 3 -7.165 6.407 9.939 1.00 14.02 H new ATOM 0 HG23 ILE A 3 -7.921 6.497 8.331 1.00 14.02 H new ATOM 0 HD11 ILE A 3 -3.961 6.029 5.564 1.00 73.14 H new ATOM 0 HD12 ILE A 3 -3.482 7.176 6.837 1.00 73.14 H new ATOM 0 HD13 ILE A 3 -3.754 5.463 7.239 1.00 73.14 H new ATOM 91 N ARG A 4 -3.769 9.041 9.252 1.00 42.03 N ATOM 92 CA ARG A 4 -2.424 9.593 9.141 1.00 31.51 C ATOM 93 C ARG A 4 -1.450 8.797 10.008 1.00 64.42 C ATOM 94 O ARG A 4 -1.819 8.383 11.114 1.00 5.43 O ATOM 95 CB ARG A 4 -2.402 11.090 9.527 1.00 13.12 C ATOM 96 CG ARG A 4 -3.129 11.424 10.832 1.00 41.22 C ATOM 97 CD ARG A 4 -3.204 12.924 11.053 1.00 4.21 C ATOM 98 NE ARG A 4 -4.054 13.286 12.195 1.00 72.41 N ATOM 99 CZ ARG A 4 -4.516 14.526 12.428 1.00 54.25 C ATOM 100 NH1 ARG A 4 -4.209 15.534 11.607 1.00 65.23 N ATOM 101 NH2 ARG A 4 -5.288 14.759 13.485 1.00 64.41 N ATOM 0 H ARG A 4 -3.925 8.493 10.098 1.00 42.03 H new ATOM 0 HA ARG A 4 -2.109 9.513 8.101 1.00 31.51 H new ATOM 0 HB2 ARG A 4 -1.365 11.414 9.611 1.00 13.12 H new ATOM 0 HB3 ARG A 4 -2.852 11.666 8.719 1.00 13.12 H new ATOM 0 HG2 ARG A 4 -4.136 11.007 10.807 1.00 41.22 H new ATOM 0 HG3 ARG A 4 -2.611 10.956 11.669 1.00 41.22 H new ATOM 0 HD2 ARG A 4 -2.199 13.314 11.215 1.00 4.21 H new ATOM 0 HD3 ARG A 4 -3.590 13.401 10.152 1.00 4.21 H new ATOM 0 HE ARG A 4 -4.310 12.549 12.853 1.00 72.41 H new ATOM 0 HH11 ARG A 4 -3.618 15.367 10.793 1.00 65.23 H new ATOM 0 HH12 ARG A 4 -4.566 16.471 11.794 1.00 65.23 H new ATOM 0 HH21 ARG A 4 -5.529 13.997 14.118 1.00 64.41 H new ATOM 0 HH22 ARG A 4 -5.639 15.700 13.663 1.00 64.41 H new ATOM 115 N GLU A 5 -0.236 8.564 9.458 1.00 72.54 N ATOM 116 CA GLU A 5 0.895 7.903 10.148 1.00 73.31 C ATOM 117 C GLU A 5 0.588 6.428 10.507 1.00 61.32 C ATOM 118 O GLU A 5 0.041 6.126 11.575 1.00 31.14 O ATOM 119 CB GLU A 5 1.317 8.723 11.382 1.00 52.21 C ATOM 120 CG GLU A 5 2.654 8.328 11.992 1.00 62.23 C ATOM 121 CD GLU A 5 3.076 9.261 13.105 1.00 22.01 C ATOM 122 OE1 GLU A 5 3.514 10.394 12.806 1.00 64.12 O ATOM 123 OE2 GLU A 5 2.980 8.860 14.284 1.00 2.40 O ATOM 0 H GLU A 5 -0.011 8.836 8.501 1.00 72.54 H new ATOM 0 HA GLU A 5 1.736 7.871 9.455 1.00 73.31 H new ATOM 0 HB2 GLU A 5 1.359 9.776 11.102 1.00 52.21 H new ATOM 0 HB3 GLU A 5 0.544 8.627 12.145 1.00 52.21 H new ATOM 0 HG2 GLU A 5 2.588 7.311 12.379 1.00 62.23 H new ATOM 0 HG3 GLU A 5 3.418 8.324 11.215 1.00 62.23 H new ATOM 130 N SER A 6 0.928 5.516 9.587 1.00 23.14 N ATOM 131 CA SER A 6 0.651 4.087 9.761 1.00 1.13 C ATOM 132 C SER A 6 1.588 3.242 8.877 1.00 23.41 C ATOM 133 O SER A 6 2.088 3.727 7.857 1.00 61.21 O ATOM 134 CB SER A 6 -0.817 3.794 9.400 1.00 41.10 C ATOM 135 OG SER A 6 -1.208 2.495 9.812 1.00 63.11 O ATOM 0 H SER A 6 1.398 5.746 8.711 1.00 23.14 H new ATOM 0 HA SER A 6 0.827 3.822 10.803 1.00 1.13 H new ATOM 0 HB2 SER A 6 -1.463 4.535 9.871 1.00 41.10 H new ATOM 0 HB3 SER A 6 -0.953 3.891 8.323 1.00 41.10 H new ATOM 0 HG SER A 6 -2.145 2.343 9.569 1.00 63.11 H new ATOM 141 N VAL A 7 1.819 1.981 9.278 1.00 22.45 N ATOM 142 CA VAL A 7 2.642 1.040 8.494 1.00 71.13 C ATOM 143 C VAL A 7 1.770 -0.057 7.863 1.00 15.52 C ATOM 144 O VAL A 7 0.828 -0.557 8.490 1.00 73.01 O ATOM 145 CB VAL A 7 3.790 0.387 9.332 1.00 71.04 C ATOM 146 CG1 VAL A 7 4.876 1.405 9.647 1.00 54.42 C ATOM 147 CG2 VAL A 7 3.270 -0.230 10.630 1.00 13.45 C ATOM 0 H VAL A 7 1.447 1.587 10.142 1.00 22.45 H new ATOM 0 HA VAL A 7 3.111 1.631 7.707 1.00 71.13 H new ATOM 0 HB VAL A 7 4.212 -0.412 8.723 1.00 71.04 H new ATOM 0 HG11 VAL A 7 5.664 0.928 10.230 1.00 54.42 H new ATOM 0 HG12 VAL A 7 5.295 1.789 8.717 1.00 54.42 H new ATOM 0 HG13 VAL A 7 4.448 2.228 10.219 1.00 54.42 H new ATOM 0 HG21 VAL A 7 4.100 -0.672 11.181 1.00 13.45 H new ATOM 0 HG22 VAL A 7 2.802 0.544 11.239 1.00 13.45 H new ATOM 0 HG23 VAL A 7 2.537 -1.002 10.398 1.00 13.45 H new ATOM 157 N SER A 8 2.052 -0.398 6.600 1.00 12.23 N ATOM 158 CA SER A 8 1.269 -1.409 5.895 1.00 72.40 C ATOM 159 C SER A 8 1.806 -2.819 6.201 1.00 72.11 C ATOM 160 O SER A 8 3.018 -3.009 6.289 1.00 62.34 O ATOM 161 CB SER A 8 1.248 -1.114 4.378 1.00 23.35 C ATOM 162 OG SER A 8 2.346 -1.684 3.683 1.00 3.31 O ATOM 0 H SER A 8 2.810 0.009 6.053 1.00 12.23 H new ATOM 0 HA SER A 8 0.239 -1.370 6.250 1.00 72.40 H new ATOM 0 HB2 SER A 8 0.320 -1.495 3.953 1.00 23.35 H new ATOM 0 HB3 SER A 8 1.249 -0.035 4.224 1.00 23.35 H new ATOM 0 HG SER A 8 3.183 -1.408 4.111 1.00 3.31 H new ATOM 168 N ARG A 9 0.912 -3.797 6.398 1.00 1.43 N ATOM 169 CA ARG A 9 1.340 -5.160 6.758 1.00 51.11 C ATOM 170 C ARG A 9 0.684 -6.226 5.880 1.00 4.32 C ATOM 171 O ARG A 9 -0.417 -6.039 5.383 1.00 12.21 O ATOM 172 CB ARG A 9 1.040 -5.465 8.235 1.00 34.50 C ATOM 173 CG ARG A 9 1.841 -4.628 9.219 1.00 3.13 C ATOM 174 CD ARG A 9 0.997 -3.584 9.929 1.00 15.22 C ATOM 175 NE ARG A 9 0.091 -4.169 10.926 1.00 52.54 N ATOM 176 CZ ARG A 9 0.350 -4.228 12.247 1.00 30.24 C ATOM 177 NH1 ARG A 9 1.495 -3.744 12.742 1.00 60.31 N ATOM 178 NH2 ARG A 9 -0.544 -4.768 13.076 1.00 1.22 N ATOM 0 H ARG A 9 -0.097 -3.676 6.316 1.00 1.43 H new ATOM 0 HA ARG A 9 2.417 -5.195 6.591 1.00 51.11 H new ATOM 0 HB2 ARG A 9 -0.022 -5.304 8.419 1.00 34.50 H new ATOM 0 HB3 ARG A 9 1.241 -6.519 8.425 1.00 34.50 H new ATOM 0 HG2 ARG A 9 2.297 -5.285 9.960 1.00 3.13 H new ATOM 0 HG3 ARG A 9 2.654 -4.132 8.689 1.00 3.13 H new ATOM 0 HD2 ARG A 9 1.653 -2.864 10.419 1.00 15.22 H new ATOM 0 HD3 ARG A 9 0.413 -3.033 9.192 1.00 15.22 H new ATOM 0 HE ARG A 9 -0.793 -4.556 10.596 1.00 52.54 H new ATOM 0 HH11 ARG A 9 2.184 -3.324 12.117 1.00 60.31 H new ATOM 0 HH12 ARG A 9 1.679 -3.795 13.744 1.00 60.31 H new ATOM 0 HH21 ARG A 9 -1.422 -5.136 12.710 1.00 1.22 H new ATOM 0 HH22 ARG A 9 -0.350 -4.814 14.076 1.00 1.22 H new ATOM 192 N ILE A 10 1.381 -7.349 5.702 1.00 1.32 N ATOM 193 CA ILE A 10 0.854 -8.516 4.995 1.00 40.23 C ATOM 194 C ILE A 10 0.874 -9.722 5.941 1.00 72.32 C ATOM 195 O ILE A 10 1.891 -9.972 6.618 1.00 24.02 O ATOM 196 CB ILE A 10 1.654 -8.858 3.687 1.00 70.23 C ATOM 197 CG1 ILE A 10 1.617 -7.707 2.675 1.00 44.03 C ATOM 198 CG2 ILE A 10 1.116 -10.119 3.012 1.00 12.44 C ATOM 199 CD1 ILE A 10 2.787 -6.761 2.749 1.00 72.03 C ATOM 0 H ILE A 10 2.333 -7.475 6.047 1.00 1.32 H new ATOM 0 HA ILE A 10 -0.164 -8.278 4.686 1.00 40.23 H new ATOM 0 HB ILE A 10 2.685 -9.025 4.000 1.00 70.23 H new ATOM 0 HG12 ILE A 10 1.571 -8.127 1.670 1.00 44.03 H new ATOM 0 HG13 ILE A 10 0.699 -7.139 2.826 1.00 44.03 H new ATOM 0 HG21 ILE A 10 1.694 -10.324 2.111 1.00 12.44 H new ATOM 0 HG22 ILE A 10 1.200 -10.963 3.697 1.00 12.44 H new ATOM 0 HG23 ILE A 10 0.069 -9.971 2.746 1.00 12.44 H new ATOM 0 HD11 ILE A 10 2.673 -5.981 1.996 1.00 72.03 H new ATOM 0 HD12 ILE A 10 2.825 -6.307 3.739 1.00 72.03 H new ATOM 0 HD13 ILE A 10 3.711 -7.310 2.566 1.00 72.03 H new ATOM 211 N TYR A 11 -0.259 -10.441 5.987 1.00 21.43 N ATOM 212 CA TYR A 11 -0.408 -11.642 6.802 1.00 24.31 C ATOM 213 C TYR A 11 -0.565 -12.862 5.885 1.00 71.34 C ATOM 214 O TYR A 11 -1.566 -12.991 5.157 1.00 75.24 O ATOM 215 CB TYR A 11 -1.644 -11.490 7.704 1.00 42.53 C ATOM 216 CG TYR A 11 -1.800 -12.532 8.809 1.00 34.24 C ATOM 217 CD1 TYR A 11 -2.369 -13.784 8.562 1.00 44.50 C ATOM 218 CD2 TYR A 11 -1.413 -12.243 10.115 1.00 54.35 C ATOM 219 CE1 TYR A 11 -2.538 -14.707 9.576 1.00 13.51 C ATOM 220 CE2 TYR A 11 -1.577 -13.166 11.132 1.00 62.12 C ATOM 221 CZ TYR A 11 -2.141 -14.395 10.856 1.00 52.33 C ATOM 222 OH TYR A 11 -2.308 -15.314 11.866 1.00 42.22 O ATOM 0 H TYR A 11 -1.096 -10.199 5.456 1.00 21.43 H new ATOM 0 HA TYR A 11 0.474 -11.781 7.427 1.00 24.31 H new ATOM 0 HB2 TYR A 11 -1.613 -10.503 8.165 1.00 42.53 H new ATOM 0 HB3 TYR A 11 -2.534 -11.521 7.075 1.00 42.53 H new ATOM 0 HD1 TYR A 11 -2.683 -14.035 7.559 1.00 44.50 H new ATOM 0 HD2 TYR A 11 -0.977 -11.280 10.338 1.00 54.35 H new ATOM 0 HE1 TYR A 11 -2.980 -15.670 9.365 1.00 13.51 H new ATOM 0 HE2 TYR A 11 -1.265 -12.926 12.138 1.00 62.12 H new ATOM 0 HH TYR A 11 -1.828 -16.138 11.641 1.00 42.22 H new ATOM 232 N VAL A 12 0.407 -13.761 5.904 1.00 32.41 N ATOM 233 CA VAL A 12 0.282 -14.980 5.106 1.00 12.44 C ATOM 234 C VAL A 12 0.395 -16.251 5.983 1.00 12.41 C ATOM 235 O VAL A 12 1.452 -16.602 6.505 1.00 22.43 O ATOM 236 CB VAL A 12 1.257 -14.961 3.876 1.00 32.44 C ATOM 237 CG1 VAL A 12 2.711 -14.804 4.272 1.00 24.33 C ATOM 238 CG2 VAL A 12 1.075 -16.189 3.013 1.00 10.50 C ATOM 0 H VAL A 12 1.268 -13.679 6.444 1.00 32.41 H new ATOM 0 HA VAL A 12 -0.722 -15.012 4.683 1.00 12.44 H new ATOM 0 HB VAL A 12 0.990 -14.078 3.295 1.00 32.44 H new ATOM 0 HG11 VAL A 12 3.333 -14.798 3.377 1.00 24.33 H new ATOM 0 HG12 VAL A 12 2.842 -13.866 4.811 1.00 24.33 H new ATOM 0 HG13 VAL A 12 3.005 -15.635 4.913 1.00 24.33 H new ATOM 0 HG21 VAL A 12 1.764 -16.146 2.170 1.00 10.50 H new ATOM 0 HG22 VAL A 12 1.279 -17.082 3.604 1.00 10.50 H new ATOM 0 HG23 VAL A 12 0.050 -16.225 2.643 1.00 10.50 H new ATOM 248 N GLY A 13 -0.735 -16.940 6.136 1.00 54.23 N ATOM 249 CA GLY A 13 -0.810 -18.091 7.016 1.00 3.42 C ATOM 250 C GLY A 13 -1.382 -19.352 6.378 1.00 63.02 C ATOM 251 O GLY A 13 -2.092 -19.304 5.366 1.00 35.44 O ATOM 0 H GLY A 13 -1.608 -16.716 5.659 1.00 54.23 H new ATOM 0 HA2 GLY A 13 0.191 -18.311 7.388 1.00 3.42 H new ATOM 0 HA3 GLY A 13 -1.421 -17.830 7.880 1.00 3.42 H new ATOM 255 N ASN A 14 -1.027 -20.508 6.986 1.00 42.31 N ATOM 256 CA ASN A 14 -1.527 -21.852 6.604 1.00 13.03 C ATOM 257 C ASN A 14 -1.186 -22.199 5.143 1.00 50.44 C ATOM 258 O ASN A 14 -1.827 -23.040 4.549 1.00 41.34 O ATOM 259 CB ASN A 14 -3.062 -21.942 6.798 1.00 11.50 C ATOM 260 CG ASN A 14 -3.537 -21.653 8.215 1.00 33.23 C ATOM 261 OD1 ASN A 14 -3.810 -20.506 8.572 1.00 54.44 O ATOM 262 ND2 ASN A 14 -3.664 -22.695 9.012 1.00 33.32 N ATOM 0 H ASN A 14 -0.374 -20.535 7.769 1.00 42.31 H new ATOM 0 HA ASN A 14 -1.029 -22.569 7.257 1.00 13.03 H new ATOM 0 HB2 ASN A 14 -3.543 -21.240 6.117 1.00 11.50 H new ATOM 0 HB3 ASN A 14 -3.394 -22.941 6.514 1.00 11.50 H new ATOM 0 HD21 ASN A 14 -4.000 -22.569 9.967 1.00 33.32 H new ATOM 0 HD22 ASN A 14 -3.426 -23.628 8.674 1.00 33.32 H new ATOM 269 N LEU A 15 -0.136 -21.592 4.605 1.00 43.31 N ATOM 270 CA LEU A 15 0.126 -21.629 3.173 1.00 62.15 C ATOM 271 C LEU A 15 0.969 -22.847 2.760 1.00 3.05 C ATOM 272 O LEU A 15 1.738 -23.372 3.568 1.00 55.40 O ATOM 273 CB LEU A 15 0.803 -20.323 2.708 1.00 41.34 C ATOM 274 CG LEU A 15 2.296 -20.154 3.041 1.00 71.05 C ATOM 275 CD1 LEU A 15 2.929 -19.233 2.020 1.00 34.02 C ATOM 276 CD2 LEU A 15 2.505 -19.608 4.457 1.00 5.12 C ATOM 0 H LEU A 15 0.552 -21.065 5.143 1.00 43.31 H new ATOM 0 HA LEU A 15 -0.840 -21.725 2.678 1.00 62.15 H new ATOM 0 HB2 LEU A 15 0.686 -20.247 1.627 1.00 41.34 H new ATOM 0 HB3 LEU A 15 0.261 -19.485 3.147 1.00 41.34 H new ATOM 0 HG LEU A 15 2.772 -21.134 3.003 1.00 71.05 H new ATOM 0 HD11 LEU A 15 3.987 -19.108 2.249 1.00 34.02 H new ATOM 0 HD12 LEU A 15 2.822 -19.664 1.025 1.00 34.02 H new ATOM 0 HD13 LEU A 15 2.434 -18.262 2.050 1.00 34.02 H new ATOM 0 HD21 LEU A 15 3.572 -19.503 4.653 1.00 5.12 H new ATOM 0 HD22 LEU A 15 2.022 -18.635 4.547 1.00 5.12 H new ATOM 0 HD23 LEU A 15 2.069 -20.297 5.181 1.00 5.12 H new ATOM 288 N PRO A 16 0.797 -23.341 1.500 1.00 74.34 N ATOM 289 CA PRO A 16 1.657 -24.392 0.928 1.00 34.40 C ATOM 290 C PRO A 16 3.095 -23.932 0.765 1.00 25.31 C ATOM 291 O PRO A 16 3.331 -22.748 0.507 1.00 34.34 O ATOM 292 CB PRO A 16 1.024 -24.683 -0.440 1.00 63.35 C ATOM 293 CG PRO A 16 0.197 -23.485 -0.764 1.00 41.13 C ATOM 294 CD PRO A 16 -0.279 -22.955 0.556 1.00 45.22 C ATOM 0 HA PRO A 16 1.709 -25.268 1.575 1.00 34.40 H new ATOM 0 HB2 PRO A 16 1.789 -24.848 -1.199 1.00 63.35 H new ATOM 0 HB3 PRO A 16 0.411 -25.584 -0.404 1.00 63.35 H new ATOM 0 HG2 PRO A 16 0.783 -22.737 -1.299 1.00 41.13 H new ATOM 0 HG3 PRO A 16 -0.643 -23.750 -1.406 1.00 41.13 H new ATOM 0 HD2 PRO A 16 -0.417 -21.874 0.527 1.00 45.22 H new ATOM 0 HD3 PRO A 16 -1.237 -23.391 0.841 1.00 45.22 H new ATOM 302 N SER A 17 4.037 -24.891 0.992 1.00 10.33 N ATOM 303 CA SER A 17 5.523 -24.725 0.971 1.00 14.35 C ATOM 304 C SER A 17 6.065 -23.966 2.205 1.00 43.33 C ATOM 305 O SER A 17 7.180 -24.260 2.652 1.00 25.43 O ATOM 306 CB SER A 17 6.073 -24.110 -0.344 1.00 34.25 C ATOM 307 OG SER A 17 5.966 -22.693 -0.390 1.00 2.14 O ATOM 0 H SER A 17 3.768 -25.851 1.206 1.00 10.33 H new ATOM 0 HA SER A 17 5.903 -25.745 1.017 1.00 14.35 H new ATOM 0 HB2 SER A 17 7.119 -24.392 -0.459 1.00 34.25 H new ATOM 0 HB3 SER A 17 5.533 -24.536 -1.190 1.00 34.25 H new ATOM 0 HG SER A 17 5.069 -22.423 -0.103 1.00 2.14 H new ATOM 313 N HIS A 18 5.245 -23.031 2.757 1.00 53.52 N ATOM 314 CA HIS A 18 5.559 -22.194 3.934 1.00 1.32 C ATOM 315 C HIS A 18 6.726 -21.259 3.619 1.00 22.15 C ATOM 316 O HIS A 18 7.892 -21.599 3.854 1.00 5.34 O ATOM 317 CB HIS A 18 5.874 -23.016 5.210 1.00 3.24 C ATOM 318 CG HIS A 18 4.925 -24.139 5.534 1.00 74.31 C ATOM 319 ND1 HIS A 18 3.586 -23.955 5.775 1.00 52.15 N ATOM 320 CD2 HIS A 18 5.140 -25.474 5.632 1.00 32.21 C ATOM 321 CE1 HIS A 18 3.018 -25.121 6.009 1.00 65.51 C ATOM 322 NE2 HIS A 18 3.936 -26.065 5.922 1.00 43.13 N ATOM 0 H HIS A 18 4.318 -22.838 2.378 1.00 53.52 H new ATOM 0 HA HIS A 18 4.660 -21.616 4.148 1.00 1.32 H new ATOM 0 HB2 HIS A 18 6.876 -23.434 5.109 1.00 3.24 H new ATOM 0 HB3 HIS A 18 5.898 -22.333 6.059 1.00 3.24 H new ATOM 0 HD2 HIS A 18 6.086 -25.980 5.505 1.00 32.21 H new ATOM 0 HE1 HIS A 18 1.974 -25.278 6.235 1.00 65.51 H new ATOM 0 HE2 HIS A 18 3.777 -27.065 6.049 1.00 43.13 H new ATOM 331 N VAL A 19 6.396 -20.094 3.048 1.00 12.55 N ATOM 332 CA VAL A 19 7.396 -19.142 2.568 1.00 44.12 C ATOM 333 C VAL A 19 8.156 -18.507 3.758 1.00 52.44 C ATOM 334 O VAL A 19 7.566 -18.150 4.794 1.00 14.53 O ATOM 335 CB VAL A 19 6.760 -18.065 1.610 1.00 64.52 C ATOM 336 CG1 VAL A 19 5.917 -17.037 2.363 1.00 22.11 C ATOM 337 CG2 VAL A 19 7.837 -17.382 0.777 1.00 75.13 C ATOM 0 H VAL A 19 5.433 -19.789 2.908 1.00 12.55 H new ATOM 0 HA VAL A 19 8.127 -19.684 1.969 1.00 44.12 H new ATOM 0 HB VAL A 19 6.083 -18.595 0.939 1.00 64.52 H new ATOM 0 HG11 VAL A 19 5.502 -16.318 1.656 1.00 22.11 H new ATOM 0 HG12 VAL A 19 5.105 -17.544 2.884 1.00 22.11 H new ATOM 0 HG13 VAL A 19 6.542 -16.514 3.087 1.00 22.11 H new ATOM 0 HG21 VAL A 19 7.376 -16.642 0.122 1.00 75.13 H new ATOM 0 HG22 VAL A 19 8.550 -16.888 1.438 1.00 75.13 H new ATOM 0 HG23 VAL A 19 8.357 -18.126 0.174 1.00 75.13 H new ATOM 347 N SER A 20 9.480 -18.460 3.629 1.00 43.41 N ATOM 348 CA SER A 20 10.332 -17.904 4.671 1.00 22.30 C ATOM 349 C SER A 20 10.544 -16.417 4.438 1.00 32.02 C ATOM 350 O SER A 20 10.216 -15.913 3.361 1.00 44.03 O ATOM 351 CB SER A 20 11.676 -18.640 4.717 1.00 22.14 C ATOM 352 OG SER A 20 11.489 -20.032 4.884 1.00 25.14 O ATOM 0 H SER A 20 9.984 -18.802 2.811 1.00 43.41 H new ATOM 0 HA SER A 20 9.837 -18.038 5.633 1.00 22.30 H new ATOM 0 HB2 SER A 20 12.229 -18.452 3.796 1.00 22.14 H new ATOM 0 HB3 SER A 20 12.280 -18.250 5.537 1.00 22.14 H new ATOM 0 HG SER A 20 12.361 -20.479 4.908 1.00 25.14 H new ATOM 358 N SER A 21 11.123 -15.728 5.434 1.00 41.45 N ATOM 359 CA SER A 21 11.314 -14.278 5.401 1.00 30.32 C ATOM 360 C SER A 21 12.213 -13.807 4.257 1.00 50.43 C ATOM 361 O SER A 21 12.009 -12.721 3.765 1.00 4.34 O ATOM 362 CB SER A 21 11.866 -13.809 6.748 1.00 34.12 C ATOM 363 OG SER A 21 12.864 -14.699 7.226 1.00 24.22 O ATOM 0 H SER A 21 11.472 -16.167 6.286 1.00 41.45 H new ATOM 0 HA SER A 21 10.338 -13.829 5.216 1.00 30.32 H new ATOM 0 HB2 SER A 21 12.285 -12.808 6.645 1.00 34.12 H new ATOM 0 HB3 SER A 21 11.056 -13.742 7.474 1.00 34.12 H new ATOM 0 HG SER A 21 13.203 -14.378 8.087 1.00 24.22 H new ATOM 369 N ARG A 22 13.148 -14.659 3.814 1.00 1.10 N ATOM 370 CA ARG A 22 14.085 -14.344 2.728 1.00 61.13 C ATOM 371 C ARG A 22 13.383 -14.315 1.354 1.00 60.43 C ATOM 372 O ARG A 22 13.653 -13.441 0.508 1.00 52.43 O ATOM 373 CB ARG A 22 15.230 -15.385 2.730 1.00 34.44 C ATOM 374 CG ARG A 22 16.283 -15.165 1.644 1.00 62.13 C ATOM 375 CD ARG A 22 16.085 -16.057 0.415 1.00 31.30 C ATOM 376 NE ARG A 22 16.829 -17.315 0.504 1.00 62.14 N ATOM 377 CZ ARG A 22 18.080 -17.481 0.048 1.00 30.41 C ATOM 378 NH1 ARG A 22 18.741 -16.470 -0.524 1.00 34.22 N ATOM 379 NH2 ARG A 22 18.666 -18.661 0.165 1.00 44.34 N ATOM 0 H ARG A 22 13.276 -15.593 4.203 1.00 1.10 H new ATOM 0 HA ARG A 22 14.490 -13.347 2.900 1.00 61.13 H new ATOM 0 HB2 ARG A 22 15.720 -15.367 3.704 1.00 34.44 H new ATOM 0 HB3 ARG A 22 14.801 -16.380 2.608 1.00 34.44 H new ATOM 0 HG2 ARG A 22 16.261 -14.121 1.333 1.00 62.13 H new ATOM 0 HG3 ARG A 22 17.272 -15.352 2.064 1.00 62.13 H new ATOM 0 HD2 ARG A 22 15.024 -16.275 0.297 1.00 31.30 H new ATOM 0 HD3 ARG A 22 16.401 -15.515 -0.477 1.00 31.30 H new ATOM 0 HE ARG A 22 16.368 -18.114 0.939 1.00 62.14 H new ATOM 0 HH11 ARG A 22 18.295 -15.558 -0.618 1.00 34.22 H new ATOM 0 HH12 ARG A 22 19.692 -16.611 -0.866 1.00 34.22 H new ATOM 0 HH21 ARG A 22 18.167 -19.437 0.600 1.00 44.34 H new ATOM 0 HH22 ARG A 22 19.617 -18.795 -0.179 1.00 44.34 H new ATOM 393 N ASP A 23 12.498 -15.277 1.136 1.00 42.41 N ATOM 394 CA ASP A 23 11.878 -15.468 -0.175 1.00 75.44 C ATOM 395 C ASP A 23 10.856 -14.373 -0.426 1.00 12.31 C ATOM 396 O ASP A 23 10.844 -13.756 -1.492 1.00 74.45 O ATOM 397 CB ASP A 23 11.237 -16.855 -0.261 1.00 12.41 C ATOM 398 CG ASP A 23 12.159 -17.948 0.247 1.00 14.11 C ATOM 399 OD1 ASP A 23 13.130 -18.292 -0.457 1.00 30.14 O ATOM 400 OD2 ASP A 23 11.926 -18.444 1.374 1.00 14.33 O ATOM 0 H ASP A 23 12.191 -15.940 1.848 1.00 42.41 H new ATOM 0 HA ASP A 23 12.644 -15.405 -0.948 1.00 75.44 H new ATOM 0 HB2 ASP A 23 10.314 -16.863 0.319 1.00 12.41 H new ATOM 0 HB3 ASP A 23 10.965 -17.064 -1.296 1.00 12.41 H new ATOM 405 N VAL A 24 10.057 -14.075 0.603 1.00 51.02 N ATOM 406 CA VAL A 24 9.190 -12.910 0.546 1.00 24.05 C ATOM 407 C VAL A 24 9.997 -11.623 0.581 1.00 74.55 C ATOM 408 O VAL A 24 9.562 -10.659 -0.009 1.00 2.15 O ATOM 409 CB VAL A 24 8.050 -12.854 1.600 1.00 2.32 C ATOM 410 CG1 VAL A 24 6.891 -13.713 1.151 1.00 15.15 C ATOM 411 CG2 VAL A 24 8.508 -13.266 2.983 1.00 13.22 C ATOM 0 H VAL A 24 9.997 -14.616 1.466 1.00 51.02 H new ATOM 0 HA VAL A 24 8.681 -13.015 -0.412 1.00 24.05 H new ATOM 0 HB VAL A 24 7.731 -11.814 1.674 1.00 2.32 H new ATOM 0 HG11 VAL A 24 6.096 -13.669 1.895 1.00 15.15 H new ATOM 0 HG12 VAL A 24 6.515 -13.346 0.196 1.00 15.15 H new ATOM 0 HG13 VAL A 24 7.225 -14.744 1.038 1.00 15.15 H new ATOM 0 HG21 VAL A 24 7.669 -13.207 3.677 1.00 13.22 H new ATOM 0 HG22 VAL A 24 8.883 -14.289 2.952 1.00 13.22 H new ATOM 0 HG23 VAL A 24 9.303 -12.599 3.317 1.00 13.22 H new ATOM 421 N GLU A 25 11.165 -11.603 1.249 1.00 32.44 N ATOM 422 CA GLU A 25 12.054 -10.445 1.179 1.00 71.42 C ATOM 423 C GLU A 25 12.326 -10.112 -0.286 1.00 41.44 C ATOM 424 O GLU A 25 11.905 -9.079 -0.714 1.00 34.33 O ATOM 425 CB GLU A 25 13.367 -10.667 1.955 1.00 12.23 C ATOM 426 CG GLU A 25 14.344 -9.493 1.949 1.00 25.13 C ATOM 427 CD GLU A 25 15.537 -9.720 1.033 1.00 60.51 C ATOM 428 OE1 GLU A 25 16.487 -10.406 1.465 1.00 41.20 O ATOM 429 OE2 GLU A 25 15.516 -9.214 -0.112 1.00 71.21 O ATOM 0 H GLU A 25 11.505 -12.367 1.833 1.00 32.44 H new ATOM 0 HA GLU A 25 11.558 -9.601 1.659 1.00 71.42 H new ATOM 0 HB2 GLU A 25 13.121 -10.906 2.990 1.00 12.23 H new ATOM 0 HB3 GLU A 25 13.872 -11.538 1.538 1.00 12.23 H new ATOM 0 HG2 GLU A 25 13.818 -8.591 1.636 1.00 25.13 H new ATOM 0 HG3 GLU A 25 14.700 -9.318 2.964 1.00 25.13 H new ATOM 436 N ASN A 26 12.826 -11.059 -1.091 1.00 32.20 N ATOM 437 CA ASN A 26 13.183 -10.709 -2.478 1.00 45.55 C ATOM 438 C ASN A 26 11.936 -10.515 -3.387 1.00 21.13 C ATOM 439 O ASN A 26 11.679 -9.390 -3.931 1.00 44.51 O ATOM 440 CB ASN A 26 14.097 -11.794 -3.051 1.00 70.11 C ATOM 441 CG ASN A 26 14.866 -11.330 -4.273 1.00 3.13 C ATOM 442 OD1 ASN A 26 14.433 -11.531 -5.410 1.00 72.41 O ATOM 443 ND2 ASN A 26 16.000 -10.675 -4.044 1.00 31.15 N ATOM 0 H ASN A 26 12.988 -12.031 -0.826 1.00 32.20 H new ATOM 0 HA ASN A 26 13.703 -9.751 -2.457 1.00 45.55 H new ATOM 0 HB2 ASN A 26 14.802 -12.112 -2.283 1.00 70.11 H new ATOM 0 HB3 ASN A 26 13.498 -12.666 -3.314 1.00 70.11 H new ATOM 0 HD21 ASN A 26 16.549 -10.316 -4.826 1.00 31.15 H new ATOM 0 HD22 ASN A 26 16.321 -10.531 -3.087 1.00 31.15 H new ATOM 450 N GLU A 27 11.089 -11.541 -3.426 1.00 71.42 N ATOM 451 CA GLU A 27 10.013 -11.605 -4.410 1.00 20.41 C ATOM 452 C GLU A 27 8.869 -10.678 -4.021 1.00 4.33 C ATOM 453 O GLU A 27 8.261 -10.051 -4.886 1.00 33.11 O ATOM 454 CB GLU A 27 9.508 -13.041 -4.572 1.00 52.42 C ATOM 455 CG GLU A 27 8.589 -13.237 -5.775 1.00 61.02 C ATOM 456 CD GLU A 27 8.122 -14.670 -5.933 1.00 13.33 C ATOM 457 OE1 GLU A 27 7.091 -15.029 -5.319 1.00 2.43 O ATOM 458 OE2 GLU A 27 8.788 -15.439 -6.668 1.00 32.42 O ATOM 0 H GLU A 27 11.127 -12.337 -2.789 1.00 71.42 H new ATOM 0 HA GLU A 27 10.413 -11.273 -5.368 1.00 20.41 H new ATOM 0 HB2 GLU A 27 10.364 -13.709 -4.667 1.00 52.42 H new ATOM 0 HB3 GLU A 27 8.975 -13.333 -3.667 1.00 52.42 H new ATOM 0 HG2 GLU A 27 7.721 -12.586 -5.672 1.00 61.02 H new ATOM 0 HG3 GLU A 27 9.113 -12.929 -6.680 1.00 61.02 H new ATOM 465 N PHE A 28 8.600 -10.560 -2.723 1.00 53.42 N ATOM 466 CA PHE A 28 7.556 -9.663 -2.264 1.00 40.45 C ATOM 467 C PHE A 28 8.090 -8.218 -2.122 1.00 52.23 C ATOM 468 O PHE A 28 7.283 -7.292 -2.200 1.00 13.51 O ATOM 469 CB PHE A 28 6.906 -10.183 -0.965 1.00 40.30 C ATOM 470 CG PHE A 28 5.460 -10.576 -1.047 1.00 25.03 C ATOM 471 CD1 PHE A 28 5.066 -11.700 -1.754 1.00 74.03 C ATOM 472 CD2 PHE A 28 4.489 -9.835 -0.383 1.00 4.43 C ATOM 473 CE1 PHE A 28 3.740 -12.076 -1.801 1.00 32.13 C ATOM 474 CE2 PHE A 28 3.159 -10.208 -0.429 1.00 74.54 C ATOM 475 CZ PHE A 28 2.784 -11.330 -1.141 1.00 72.43 C ATOM 0 H PHE A 28 9.085 -11.068 -1.984 1.00 53.42 H new ATOM 0 HA PHE A 28 6.770 -9.637 -3.018 1.00 40.45 H new ATOM 0 HB2 PHE A 28 7.475 -11.047 -0.622 1.00 40.30 H new ATOM 0 HB3 PHE A 28 7.006 -9.412 -0.201 1.00 40.30 H new ATOM 0 HD1 PHE A 28 5.806 -12.289 -2.275 1.00 74.03 H new ATOM 0 HD2 PHE A 28 4.778 -8.957 0.176 1.00 4.43 H new ATOM 0 HE1 PHE A 28 3.449 -12.956 -2.355 1.00 32.13 H new ATOM 0 HE2 PHE A 28 2.415 -9.623 0.091 1.00 74.54 H new ATOM 0 HZ PHE A 28 1.745 -11.623 -1.182 1.00 72.43 H new ATOM 485 N ARG A 29 9.442 -7.991 -1.936 1.00 70.40 N ATOM 486 CA ARG A 29 9.944 -6.596 -2.013 1.00 21.41 C ATOM 487 C ARG A 29 9.924 -6.069 -3.440 1.00 3.12 C ATOM 488 O ARG A 29 9.959 -4.843 -3.628 1.00 52.24 O ATOM 489 CB ARG A 29 11.343 -6.327 -1.422 1.00 60.30 C ATOM 490 CG ARG A 29 12.501 -6.599 -2.378 1.00 33.31 C ATOM 491 CD ARG A 29 13.698 -5.726 -2.072 1.00 12.01 C ATOM 492 NE ARG A 29 14.468 -5.433 -3.281 1.00 31.34 N ATOM 493 CZ ARG A 29 14.161 -4.461 -4.158 1.00 2.42 C ATOM 494 NH1 ARG A 29 13.093 -3.680 -3.980 1.00 11.20 N ATOM 495 NH2 ARG A 29 14.928 -4.271 -5.223 1.00 11.53 N ATOM 0 H ARG A 29 10.143 -8.707 -1.747 1.00 70.40 H new ATOM 0 HA ARG A 29 9.238 -6.064 -1.375 1.00 21.41 H new ATOM 0 HB2 ARG A 29 11.393 -5.287 -1.099 1.00 60.30 H new ATOM 0 HB3 ARG A 29 11.472 -6.943 -0.532 1.00 60.30 H new ATOM 0 HG2 ARG A 29 12.789 -7.648 -2.311 1.00 33.31 H new ATOM 0 HG3 ARG A 29 12.175 -6.423 -3.403 1.00 33.31 H new ATOM 0 HD2 ARG A 29 13.363 -4.794 -1.617 1.00 12.01 H new ATOM 0 HD3 ARG A 29 14.337 -6.225 -1.344 1.00 12.01 H new ATOM 0 HE ARG A 29 15.292 -6.004 -3.471 1.00 31.34 H new ATOM 0 HH11 ARG A 29 12.492 -3.815 -3.167 1.00 11.20 H new ATOM 0 HH12 ARG A 29 12.878 -2.948 -4.657 1.00 11.20 H new ATOM 0 HH21 ARG A 29 15.746 -4.861 -5.374 1.00 11.53 H new ATOM 0 HH22 ARG A 29 14.700 -3.535 -5.891 1.00 11.53 H new ATOM 509 N LYS A 30 9.942 -6.965 -4.457 1.00 32.55 N ATOM 510 CA LYS A 30 9.682 -6.494 -5.829 1.00 54.05 C ATOM 511 C LYS A 30 8.299 -5.783 -5.920 1.00 34.54 C ATOM 512 O LYS A 30 8.140 -4.827 -6.684 1.00 10.11 O ATOM 513 CB LYS A 30 9.854 -7.653 -6.869 1.00 63.21 C ATOM 514 CG LYS A 30 8.581 -8.135 -7.597 1.00 33.21 C ATOM 515 CD LYS A 30 8.194 -7.231 -8.775 1.00 4.43 C ATOM 516 CE LYS A 30 6.743 -7.443 -9.203 1.00 54.03 C ATOM 517 NZ LYS A 30 6.222 -6.300 -9.999 1.00 53.43 N ATOM 0 H LYS A 30 10.124 -7.964 -4.360 1.00 32.55 H new ATOM 0 HA LYS A 30 10.430 -5.745 -6.088 1.00 54.05 H new ATOM 0 HB2 LYS A 30 10.573 -7.329 -7.622 1.00 63.21 H new ATOM 0 HB3 LYS A 30 10.294 -8.507 -6.355 1.00 63.21 H new ATOM 0 HG2 LYS A 30 8.738 -9.151 -7.960 1.00 33.21 H new ATOM 0 HG3 LYS A 30 7.754 -8.174 -6.887 1.00 33.21 H new ATOM 0 HD2 LYS A 30 8.341 -6.188 -8.496 1.00 4.43 H new ATOM 0 HD3 LYS A 30 8.854 -7.431 -9.619 1.00 4.43 H new ATOM 0 HE2 LYS A 30 6.669 -8.358 -9.791 1.00 54.03 H new ATOM 0 HE3 LYS A 30 6.121 -7.582 -8.319 1.00 54.03 H new ATOM 0 HZ1 LYS A 30 5.235 -6.486 -10.268 1.00 53.43 H new ATOM 0 HZ2 LYS A 30 6.268 -5.431 -9.430 1.00 53.43 H new ATOM 0 HZ3 LYS A 30 6.799 -6.183 -10.857 1.00 53.43 H new ATOM 531 N TYR A 31 7.316 -6.244 -5.130 1.00 32.31 N ATOM 532 CA TYR A 31 5.969 -5.646 -5.125 1.00 24.22 C ATOM 533 C TYR A 31 5.870 -4.440 -4.181 1.00 11.43 C ATOM 534 O TYR A 31 5.215 -3.467 -4.505 1.00 40.14 O ATOM 535 CB TYR A 31 4.914 -6.687 -4.736 1.00 5.15 C ATOM 536 CG TYR A 31 4.693 -7.767 -5.778 1.00 74.34 C ATOM 537 CD1 TYR A 31 3.806 -7.575 -6.834 1.00 45.31 C ATOM 538 CD2 TYR A 31 5.358 -8.987 -5.701 1.00 35.21 C ATOM 539 CE1 TYR A 31 3.594 -8.563 -7.778 1.00 75.55 C ATOM 540 CE2 TYR A 31 5.152 -9.974 -6.643 1.00 1.43 C ATOM 541 CZ TYR A 31 4.267 -9.755 -7.678 1.00 20.11 C ATOM 542 OH TYR A 31 4.066 -10.725 -8.621 1.00 12.10 O ATOM 0 H TYR A 31 7.427 -7.028 -4.487 1.00 32.31 H new ATOM 0 HA TYR A 31 5.780 -5.295 -6.140 1.00 24.22 H new ATOM 0 HB2 TYR A 31 5.212 -7.157 -3.799 1.00 5.15 H new ATOM 0 HB3 TYR A 31 3.968 -6.178 -4.550 1.00 5.15 H new ATOM 0 HD1 TYR A 31 3.275 -6.639 -6.917 1.00 45.31 H new ATOM 0 HD2 TYR A 31 6.048 -9.165 -4.889 1.00 35.21 H new ATOM 0 HE1 TYR A 31 2.902 -8.397 -8.590 1.00 75.55 H new ATOM 0 HE2 TYR A 31 5.681 -10.913 -6.570 1.00 1.43 H new ATOM 0 HH TYR A 31 3.684 -11.521 -8.195 1.00 12.10 H new ATOM 552 N GLY A 32 6.528 -4.500 -3.026 1.00 64.32 N ATOM 553 CA GLY A 32 6.514 -3.381 -2.095 1.00 61.41 C ATOM 554 C GLY A 32 7.759 -3.350 -1.242 1.00 0.33 C ATOM 555 O GLY A 32 8.251 -4.397 -0.856 1.00 24.05 O ATOM 0 H GLY A 32 7.072 -5.305 -2.716 1.00 64.32 H new ATOM 0 HA2 GLY A 32 6.430 -2.447 -2.650 1.00 61.41 H new ATOM 0 HA3 GLY A 32 5.635 -3.452 -1.454 1.00 61.41 H new ATOM 559 N ASN A 33 8.246 -2.145 -0.936 1.00 35.54 N ATOM 560 CA ASN A 33 9.534 -1.973 -0.248 1.00 63.01 C ATOM 561 C ASN A 33 9.469 -2.512 1.184 1.00 23.51 C ATOM 562 O ASN A 33 8.687 -2.023 2.008 1.00 14.24 O ATOM 563 CB ASN A 33 9.913 -0.493 -0.205 1.00 74.40 C ATOM 564 CG ASN A 33 11.414 -0.245 -0.241 1.00 20.11 C ATOM 565 OD1 ASN A 33 12.217 -1.097 0.142 1.00 2.03 O ATOM 566 ND2 ASN A 33 11.796 0.948 -0.671 1.00 3.03 N ATOM 0 H ASN A 33 7.769 -1.270 -1.153 1.00 35.54 H new ATOM 0 HA ASN A 33 10.286 -2.533 -0.804 1.00 63.01 H new ATOM 0 HB2 ASN A 33 9.449 0.017 -1.050 1.00 74.40 H new ATOM 0 HB3 ASN A 33 9.502 -0.048 0.701 1.00 74.40 H new ATOM 0 HD21 ASN A 33 12.787 1.189 -0.693 1.00 3.03 H new ATOM 0 HD22 ASN A 33 11.099 1.626 -0.980 1.00 3.03 H new ATOM 573 N ILE A 34 10.289 -3.526 1.463 1.00 35.34 N ATOM 574 CA ILE A 34 10.260 -4.215 2.749 1.00 54.41 C ATOM 575 C ILE A 34 11.003 -3.412 3.829 1.00 63.33 C ATOM 576 O ILE A 34 12.174 -3.037 3.680 1.00 12.13 O ATOM 577 CB ILE A 34 10.781 -5.695 2.597 1.00 63.33 C ATOM 578 CG1 ILE A 34 10.676 -6.497 3.931 1.00 11.34 C ATOM 579 CG2 ILE A 34 12.199 -5.746 2.016 1.00 22.44 C ATOM 580 CD1 ILE A 34 11.935 -6.526 4.804 1.00 33.51 C ATOM 0 H ILE A 34 10.984 -3.888 0.810 1.00 35.34 H new ATOM 0 HA ILE A 34 9.227 -4.284 3.090 1.00 54.41 H new ATOM 0 HB ILE A 34 10.122 -6.185 1.881 1.00 63.33 H new ATOM 0 HG12 ILE A 34 9.860 -6.077 4.520 1.00 11.34 H new ATOM 0 HG13 ILE A 34 10.401 -7.524 3.692 1.00 11.34 H new ATOM 0 HG21 ILE A 34 12.519 -6.784 1.928 1.00 22.44 H new ATOM 0 HG22 ILE A 34 12.206 -5.280 1.031 1.00 22.44 H new ATOM 0 HG23 ILE A 34 12.882 -5.210 2.675 1.00 22.44 H new ATOM 0 HD11 ILE A 34 11.741 -7.112 5.702 1.00 33.51 H new ATOM 0 HD12 ILE A 34 12.755 -6.978 4.246 1.00 33.51 H new ATOM 0 HD13 ILE A 34 12.206 -5.509 5.086 1.00 33.51 H new ATOM 592 N LEU A 35 10.277 -3.107 4.899 1.00 54.40 N ATOM 593 CA LEU A 35 10.850 -2.405 6.037 1.00 23.54 C ATOM 594 C LEU A 35 11.163 -3.406 7.146 1.00 53.12 C ATOM 595 O LEU A 35 12.169 -3.279 7.846 1.00 31.11 O ATOM 596 CB LEU A 35 9.881 -1.330 6.564 1.00 34.25 C ATOM 597 CG LEU A 35 9.312 -0.345 5.528 1.00 23.44 C ATOM 598 CD1 LEU A 35 8.326 0.605 6.190 1.00 43.24 C ATOM 599 CD2 LEU A 35 10.420 0.445 4.848 1.00 2.24 C ATOM 0 H LEU A 35 9.288 -3.336 5.000 1.00 54.40 H new ATOM 0 HA LEU A 35 11.767 -1.911 5.716 1.00 23.54 H new ATOM 0 HB2 LEU A 35 9.045 -1.834 7.049 1.00 34.25 H new ATOM 0 HB3 LEU A 35 10.397 -0.755 7.333 1.00 34.25 H new ATOM 0 HG LEU A 35 8.793 -0.926 4.765 1.00 23.44 H new ATOM 0 HD11 LEU A 35 7.931 1.296 5.446 1.00 43.24 H new ATOM 0 HD12 LEU A 35 7.506 0.033 6.625 1.00 43.24 H new ATOM 0 HD13 LEU A 35 8.833 1.167 6.974 1.00 43.24 H new ATOM 0 HD21 LEU A 35 9.984 1.132 4.122 1.00 2.24 H new ATOM 0 HD22 LEU A 35 10.975 1.012 5.596 1.00 2.24 H new ATOM 0 HD23 LEU A 35 11.096 -0.241 4.338 1.00 2.24 H new ATOM 611 N LYS A 36 10.295 -4.413 7.279 1.00 63.14 N ATOM 612 CA LYS A 36 10.412 -5.424 8.325 1.00 74.40 C ATOM 613 C LYS A 36 9.831 -6.749 7.824 1.00 12.02 C ATOM 614 O LYS A 36 8.816 -6.759 7.133 1.00 21.42 O ATOM 615 CB LYS A 36 9.682 -4.914 9.589 1.00 62.03 C ATOM 616 CG LYS A 36 9.805 -5.768 10.861 1.00 32.43 C ATOM 617 CD LYS A 36 8.670 -6.785 11.007 1.00 42.54 C ATOM 618 CE LYS A 36 8.328 -7.042 12.471 1.00 71.54 C ATOM 619 NZ LYS A 36 7.810 -5.819 13.151 1.00 55.43 N ATOM 0 H LYS A 36 9.493 -4.547 6.663 1.00 63.14 H new ATOM 0 HA LYS A 36 11.457 -5.600 8.579 1.00 74.40 H new ATOM 0 HB2 LYS A 36 10.055 -3.915 9.815 1.00 62.03 H new ATOM 0 HB3 LYS A 36 8.623 -4.813 9.351 1.00 62.03 H new ATOM 0 HG2 LYS A 36 10.759 -6.295 10.848 1.00 32.43 H new ATOM 0 HG3 LYS A 36 9.814 -5.114 11.733 1.00 32.43 H new ATOM 0 HD2 LYS A 36 7.785 -6.420 10.485 1.00 42.54 H new ATOM 0 HD3 LYS A 36 8.958 -7.722 10.530 1.00 42.54 H new ATOM 0 HE2 LYS A 36 7.582 -7.835 12.535 1.00 71.54 H new ATOM 0 HE3 LYS A 36 9.216 -7.397 12.993 1.00 71.54 H new ATOM 0 HZ1 LYS A 36 7.096 -6.090 13.857 1.00 55.43 H new ATOM 0 HZ2 LYS A 36 8.594 -5.326 13.623 1.00 55.43 H new ATOM 0 HZ3 LYS A 36 7.378 -5.187 12.447 1.00 55.43 H new ATOM 633 N CYS A 37 10.497 -7.857 8.146 1.00 32.31 N ATOM 634 CA CYS A 37 9.967 -9.189 7.855 1.00 43.25 C ATOM 635 C CYS A 37 10.180 -10.122 9.047 1.00 61.15 C ATOM 636 O CYS A 37 11.311 -10.362 9.478 1.00 15.04 O ATOM 637 CB CYS A 37 10.585 -9.771 6.571 1.00 73.11 C ATOM 638 SG CYS A 37 12.396 -9.816 6.542 1.00 44.35 S ATOM 0 H CYS A 37 11.406 -7.859 8.609 1.00 32.31 H new ATOM 0 HA CYS A 37 8.895 -9.097 7.683 1.00 43.25 H new ATOM 0 HB2 CYS A 37 10.210 -10.785 6.433 1.00 73.11 H new ATOM 0 HB3 CYS A 37 10.238 -9.184 5.721 1.00 73.11 H new ATOM 0 HG CYS A 37 12.842 -10.103 7.729 1.00 44.35 H new ATOM 644 N ASP A 38 9.073 -10.616 9.595 1.00 2.50 N ATOM 645 CA ASP A 38 9.106 -11.508 10.755 1.00 44.11 C ATOM 646 C ASP A 38 8.265 -12.752 10.470 1.00 11.24 C ATOM 647 O ASP A 38 7.258 -12.666 9.779 1.00 44.25 O ATOM 648 CB ASP A 38 8.577 -10.775 11.992 1.00 20.52 C ATOM 649 CG ASP A 38 8.961 -11.446 13.299 1.00 42.52 C ATOM 650 OD1 ASP A 38 10.075 -11.173 13.799 1.00 30.14 O ATOM 651 OD2 ASP A 38 8.152 -12.234 13.827 1.00 24.53 O ATOM 0 H ASP A 38 8.134 -10.413 9.252 1.00 2.50 H new ATOM 0 HA ASP A 38 10.134 -11.815 10.947 1.00 44.11 H new ATOM 0 HB2 ASP A 38 8.958 -9.754 11.991 1.00 20.52 H new ATOM 0 HB3 ASP A 38 7.491 -10.710 11.930 1.00 20.52 H new ATOM 656 N VAL A 39 8.681 -13.912 10.973 1.00 74.34 N ATOM 657 CA VAL A 39 7.935 -15.156 10.757 1.00 54.30 C ATOM 658 C VAL A 39 7.445 -15.725 12.097 1.00 65.43 C ATOM 659 O VAL A 39 8.224 -15.894 13.041 1.00 20.42 O ATOM 660 CB VAL A 39 8.793 -16.206 9.968 1.00 3.15 C ATOM 661 CG1 VAL A 39 8.094 -17.551 9.835 1.00 62.23 C ATOM 662 CG2 VAL A 39 9.130 -15.678 8.579 1.00 11.12 C ATOM 0 H VAL A 39 9.528 -14.020 11.532 1.00 74.34 H new ATOM 0 HA VAL A 39 7.062 -14.929 10.145 1.00 54.30 H new ATOM 0 HB VAL A 39 9.705 -16.359 10.544 1.00 3.15 H new ATOM 0 HG11 VAL A 39 8.732 -18.239 9.281 1.00 62.23 H new ATOM 0 HG12 VAL A 39 7.896 -17.958 10.827 1.00 62.23 H new ATOM 0 HG13 VAL A 39 7.152 -17.420 9.302 1.00 62.23 H new ATOM 0 HG21 VAL A 39 9.726 -16.417 8.043 1.00 11.12 H new ATOM 0 HG22 VAL A 39 8.209 -15.487 8.029 1.00 11.12 H new ATOM 0 HG23 VAL A 39 9.697 -14.752 8.670 1.00 11.12 H new ATOM 672 N LYS A 40 6.150 -16.033 12.160 1.00 34.01 N ATOM 673 CA LYS A 40 5.534 -16.558 13.372 1.00 2.23 C ATOM 674 C LYS A 40 5.257 -18.049 13.187 1.00 2.32 C ATOM 675 O LYS A 40 4.769 -18.475 12.134 1.00 60.21 O ATOM 676 CB LYS A 40 4.197 -15.846 13.679 1.00 24.41 C ATOM 677 CG LYS A 40 4.218 -14.312 13.685 1.00 14.23 C ATOM 678 CD LYS A 40 5.160 -13.740 14.734 1.00 61.32 C ATOM 679 CE LYS A 40 4.859 -12.273 15.005 1.00 61.31 C ATOM 680 NZ LYS A 40 3.658 -12.117 15.866 1.00 71.32 N ATOM 0 H LYS A 40 5.505 -15.926 11.377 1.00 34.01 H new ATOM 0 HA LYS A 40 6.220 -16.387 14.202 1.00 2.23 H new ATOM 0 HB2 LYS A 40 3.461 -16.173 12.945 1.00 24.41 H new ATOM 0 HB3 LYS A 40 3.847 -16.185 14.654 1.00 24.41 H new ATOM 0 HG2 LYS A 40 4.517 -13.953 12.700 1.00 14.23 H new ATOM 0 HG3 LYS A 40 3.210 -13.940 13.867 1.00 14.23 H new ATOM 0 HD2 LYS A 40 5.067 -14.310 15.659 1.00 61.32 H new ATOM 0 HD3 LYS A 40 6.191 -13.846 14.397 1.00 61.32 H new ATOM 0 HE2 LYS A 40 5.718 -11.807 15.488 1.00 61.31 H new ATOM 0 HE3 LYS A 40 4.702 -11.752 14.061 1.00 61.31 H new ATOM 0 HZ1 LYS A 40 3.557 -11.120 16.144 1.00 71.32 H new ATOM 0 HZ2 LYS A 40 2.812 -12.417 15.340 1.00 71.32 H new ATOM 0 HZ3 LYS A 40 3.763 -12.705 16.718 1.00 71.32 H new ATOM 694 N LYS A 41 5.576 -18.850 14.192 1.00 51.23 N ATOM 695 CA LYS A 41 5.327 -20.278 14.111 1.00 3.11 C ATOM 696 C LYS A 41 4.569 -20.757 15.345 1.00 5.25 C ATOM 697 O LYS A 41 5.002 -20.520 16.475 1.00 55.20 O ATOM 698 CB LYS A 41 6.666 -21.025 13.964 1.00 22.23 C ATOM 699 CG LYS A 41 6.575 -22.372 13.236 1.00 63.13 C ATOM 700 CD LYS A 41 6.070 -22.244 11.788 1.00 13.22 C ATOM 701 CE LYS A 41 6.966 -21.369 10.904 1.00 61.30 C ATOM 702 NZ LYS A 41 8.328 -21.941 10.716 1.00 10.25 N ATOM 0 H LYS A 41 6.003 -18.538 15.064 1.00 51.23 H new ATOM 0 HA LYS A 41 4.710 -20.488 13.238 1.00 3.11 H new ATOM 0 HB2 LYS A 41 7.366 -20.385 13.427 1.00 22.23 H new ATOM 0 HB3 LYS A 41 7.084 -21.192 14.957 1.00 22.23 H new ATOM 0 HG2 LYS A 41 7.558 -22.842 13.231 1.00 63.13 H new ATOM 0 HG3 LYS A 41 5.908 -23.033 13.790 1.00 63.13 H new ATOM 0 HD2 LYS A 41 5.998 -23.238 11.347 1.00 13.22 H new ATOM 0 HD3 LYS A 41 5.063 -21.826 11.798 1.00 13.22 H new ATOM 0 HE2 LYS A 41 6.493 -21.241 9.930 1.00 61.30 H new ATOM 0 HE3 LYS A 41 7.052 -20.378 11.350 1.00 61.30 H new ATOM 0 HZ1 LYS A 41 8.890 -21.309 10.111 1.00 10.25 H new ATOM 0 HZ2 LYS A 41 8.794 -22.039 11.641 1.00 10.25 H new ATOM 0 HZ3 LYS A 41 8.253 -22.875 10.265 1.00 10.25 H new ATOM 716 N THR A 42 3.428 -21.409 15.125 1.00 45.11 N ATOM 717 CA THR A 42 2.615 -21.919 16.225 1.00 71.42 C ATOM 718 C THR A 42 2.802 -23.438 16.408 1.00 62.13 C ATOM 719 O THR A 42 3.304 -24.125 15.514 1.00 14.22 O ATOM 720 CB THR A 42 1.110 -21.550 16.027 1.00 24.14 C ATOM 721 OG1 THR A 42 0.326 -21.921 17.168 1.00 14.34 O ATOM 722 CG2 THR A 42 0.521 -22.204 14.788 1.00 23.10 C ATOM 0 H THR A 42 3.048 -21.595 14.197 1.00 45.11 H new ATOM 0 HA THR A 42 2.958 -21.438 17.141 1.00 71.42 H new ATOM 0 HB THR A 42 1.076 -20.468 15.901 1.00 24.14 H new ATOM 0 HG1 THR A 42 -0.610 -21.676 17.015 1.00 14.34 H new ATOM 0 HG21 THR A 42 -0.527 -21.920 14.690 1.00 23.10 H new ATOM 0 HG22 THR A 42 1.071 -21.874 13.906 1.00 23.10 H new ATOM 0 HG23 THR A 42 0.596 -23.288 14.878 1.00 23.10 H new ATOM 730 N VAL A 43 2.365 -23.942 17.571 1.00 35.12 N ATOM 731 CA VAL A 43 2.418 -25.374 17.914 1.00 20.31 C ATOM 732 C VAL A 43 1.319 -26.168 17.153 1.00 75.14 C ATOM 733 O VAL A 43 1.369 -27.397 17.055 1.00 43.33 O ATOM 734 CB VAL A 43 2.256 -25.571 19.459 1.00 12.45 C ATOM 735 CG1 VAL A 43 2.552 -27.000 19.894 1.00 65.22 C ATOM 736 CG2 VAL A 43 3.148 -24.605 20.230 1.00 72.41 C ATOM 0 H VAL A 43 1.961 -23.364 18.308 1.00 35.12 H new ATOM 0 HA VAL A 43 3.391 -25.760 17.610 1.00 20.31 H new ATOM 0 HB VAL A 43 1.212 -25.360 19.690 1.00 12.45 H new ATOM 0 HG11 VAL A 43 2.426 -27.085 20.973 1.00 65.22 H new ATOM 0 HG12 VAL A 43 1.865 -27.682 19.393 1.00 65.22 H new ATOM 0 HG13 VAL A 43 3.577 -27.257 19.627 1.00 65.22 H new ATOM 0 HG21 VAL A 43 3.016 -24.763 21.300 1.00 72.41 H new ATOM 0 HG22 VAL A 43 4.190 -24.780 19.963 1.00 72.41 H new ATOM 0 HG23 VAL A 43 2.877 -23.580 19.979 1.00 72.41 H new ATOM 746 N SER A 44 0.359 -25.436 16.563 1.00 43.13 N ATOM 747 CA SER A 44 -0.752 -26.030 15.810 1.00 65.43 C ATOM 748 C SER A 44 -0.294 -26.528 14.422 1.00 35.11 C ATOM 749 O SER A 44 -1.031 -27.233 13.729 1.00 54.42 O ATOM 750 CB SER A 44 -1.870 -24.984 15.661 1.00 13.22 C ATOM 751 OG SER A 44 -3.060 -25.540 15.130 1.00 11.25 O ATOM 0 H SER A 44 0.334 -24.417 16.596 1.00 43.13 H new ATOM 0 HA SER A 44 -1.123 -26.896 16.358 1.00 65.43 H new ATOM 0 HB2 SER A 44 -2.082 -24.541 16.634 1.00 13.22 H new ATOM 0 HB3 SER A 44 -1.527 -24.179 15.012 1.00 13.22 H new ATOM 0 HG SER A 44 -2.835 -26.282 14.531 1.00 11.25 H new ATOM 757 N GLY A 45 0.929 -26.160 14.024 1.00 52.05 N ATOM 758 CA GLY A 45 1.487 -26.650 12.773 1.00 34.01 C ATOM 759 C GLY A 45 1.346 -25.666 11.630 1.00 4.43 C ATOM 760 O GLY A 45 1.845 -25.908 10.532 1.00 10.14 O ATOM 0 H GLY A 45 1.539 -25.532 14.547 1.00 52.05 H new ATOM 0 HA2 GLY A 45 2.543 -26.879 12.919 1.00 34.01 H new ATOM 0 HA3 GLY A 45 0.993 -27.583 12.503 1.00 34.01 H new ATOM 764 N ALA A 46 0.673 -24.552 11.891 1.00 74.44 N ATOM 765 CA ALA A 46 0.472 -23.526 10.885 1.00 23.03 C ATOM 766 C ALA A 46 1.629 -22.534 10.873 1.00 35.13 C ATOM 767 O ALA A 46 2.149 -22.140 11.923 1.00 52.44 O ATOM 768 CB ALA A 46 -0.847 -22.803 11.116 1.00 1.23 C ATOM 0 H ALA A 46 0.256 -24.339 12.797 1.00 74.44 H new ATOM 0 HA ALA A 46 0.436 -24.013 9.911 1.00 23.03 H new ATOM 0 HB1 ALA A 46 -0.981 -22.037 10.352 1.00 1.23 H new ATOM 0 HB2 ALA A 46 -1.668 -23.518 11.061 1.00 1.23 H new ATOM 0 HB3 ALA A 46 -0.838 -22.336 12.101 1.00 1.23 H new ATOM 774 N ALA A 47 2.031 -22.152 9.676 1.00 23.43 N ATOM 775 CA ALA A 47 3.090 -21.181 9.493 1.00 24.44 C ATOM 776 C ALA A 47 2.495 -19.857 9.080 1.00 22.00 C ATOM 777 O ALA A 47 1.536 -19.825 8.318 1.00 12.22 O ATOM 778 CB ALA A 47 4.082 -21.659 8.445 1.00 2.52 C ATOM 0 H ALA A 47 1.633 -22.506 8.806 1.00 23.43 H new ATOM 0 HA ALA A 47 3.623 -21.060 10.436 1.00 24.44 H new ATOM 0 HB1 ALA A 47 4.869 -20.915 8.323 1.00 2.52 H new ATOM 0 HB2 ALA A 47 4.522 -22.604 8.765 1.00 2.52 H new ATOM 0 HB3 ALA A 47 3.567 -21.802 7.495 1.00 2.52 H new ATOM 784 N PHE A 48 3.064 -18.774 9.584 1.00 71.21 N ATOM 785 CA PHE A 48 2.591 -17.438 9.261 1.00 35.45 C ATOM 786 C PHE A 48 3.790 -16.559 8.990 1.00 23.11 C ATOM 787 O PHE A 48 4.860 -16.774 9.553 1.00 22.03 O ATOM 788 CB PHE A 48 1.796 -16.786 10.419 1.00 11.13 C ATOM 789 CG PHE A 48 0.839 -17.682 11.165 1.00 53.31 C ATOM 790 CD1 PHE A 48 -0.414 -17.964 10.655 1.00 13.54 C ATOM 791 CD2 PHE A 48 1.198 -18.231 12.385 1.00 1.44 C ATOM 792 CE1 PHE A 48 -1.293 -18.777 11.342 1.00 44.21 C ATOM 793 CE2 PHE A 48 0.326 -19.039 13.077 1.00 15.54 C ATOM 794 CZ PHE A 48 -0.922 -19.315 12.555 1.00 55.13 C ATOM 0 H PHE A 48 3.859 -18.795 10.222 1.00 71.21 H new ATOM 0 HA PHE A 48 1.931 -17.529 8.399 1.00 35.45 H new ATOM 0 HB2 PHE A 48 2.509 -16.377 11.135 1.00 11.13 H new ATOM 0 HB3 PHE A 48 1.232 -15.945 10.015 1.00 11.13 H new ATOM 0 HD1 PHE A 48 -0.710 -17.542 9.706 1.00 13.54 H new ATOM 0 HD2 PHE A 48 2.174 -18.022 12.798 1.00 1.44 H new ATOM 0 HE1 PHE A 48 -2.268 -18.991 10.930 1.00 44.21 H new ATOM 0 HE2 PHE A 48 0.618 -19.458 14.029 1.00 15.54 H new ATOM 0 HZ PHE A 48 -1.606 -19.951 13.096 1.00 55.13 H new ATOM 804 N ALA A 49 3.615 -15.581 8.128 1.00 35.02 N ATOM 805 CA ALA A 49 4.629 -14.579 7.914 1.00 15.10 C ATOM 806 C ALA A 49 3.987 -13.207 7.938 1.00 1.00 C ATOM 807 O ALA A 49 2.879 -13.002 7.401 1.00 2.44 O ATOM 808 CB ALA A 49 5.401 -14.816 6.618 1.00 42.42 C ATOM 0 H ALA A 49 2.775 -15.461 7.563 1.00 35.02 H new ATOM 0 HA ALA A 49 5.361 -14.644 8.719 1.00 15.10 H new ATOM 0 HB1 ALA A 49 6.155 -14.038 6.496 1.00 42.42 H new ATOM 0 HB2 ALA A 49 5.888 -15.790 6.658 1.00 42.42 H new ATOM 0 HB3 ALA A 49 4.712 -14.789 5.774 1.00 42.42 H new ATOM 814 N PHE A 50 4.685 -12.298 8.585 1.00 72.45 N ATOM 815 CA PHE A 50 4.235 -10.945 8.797 1.00 62.14 C ATOM 816 C PHE A 50 5.219 -10.013 8.106 1.00 13.32 C ATOM 817 O PHE A 50 6.408 -9.983 8.453 1.00 61.24 O ATOM 818 CB PHE A 50 4.197 -10.684 10.310 1.00 25.25 C ATOM 819 CG PHE A 50 3.318 -9.550 10.744 1.00 32.34 C ATOM 820 CD1 PHE A 50 1.951 -9.738 10.869 1.00 23.21 C ATOM 821 CD2 PHE A 50 3.856 -8.314 11.061 1.00 2.44 C ATOM 822 CE1 PHE A 50 1.137 -8.712 11.301 1.00 2.21 C ATOM 823 CE2 PHE A 50 3.046 -7.286 11.488 1.00 3.24 C ATOM 824 CZ PHE A 50 1.685 -7.487 11.611 1.00 3.53 C ATOM 0 H PHE A 50 5.603 -12.487 8.987 1.00 72.45 H new ATOM 0 HA PHE A 50 3.239 -10.779 8.388 1.00 62.14 H new ATOM 0 HB2 PHE A 50 3.863 -11.593 10.810 1.00 25.25 H new ATOM 0 HB3 PHE A 50 5.212 -10.486 10.653 1.00 25.25 H new ATOM 0 HD1 PHE A 50 1.519 -10.697 10.626 1.00 23.21 H new ATOM 0 HD2 PHE A 50 4.921 -8.155 10.972 1.00 2.44 H new ATOM 0 HE1 PHE A 50 0.073 -8.869 11.396 1.00 2.21 H new ATOM 0 HE2 PHE A 50 3.474 -6.324 11.727 1.00 3.24 H new ATOM 0 HZ PHE A 50 1.050 -6.682 11.951 1.00 3.53 H new ATOM 834 N ILE A 51 4.744 -9.258 7.122 1.00 61.03 N ATOM 835 CA ILE A 51 5.659 -8.467 6.292 1.00 61.03 C ATOM 836 C ILE A 51 5.219 -7.005 6.231 1.00 50.51 C ATOM 837 O ILE A 51 4.177 -6.697 5.676 1.00 22.11 O ATOM 838 CB ILE A 51 5.800 -9.039 4.840 1.00 70.35 C ATOM 839 CG1 ILE A 51 5.075 -10.398 4.673 1.00 4.13 C ATOM 840 CG2 ILE A 51 7.278 -9.207 4.502 1.00 42.54 C ATOM 841 CD1 ILE A 51 4.968 -10.887 3.245 1.00 53.42 C ATOM 0 H ILE A 51 3.757 -9.174 6.879 1.00 61.03 H new ATOM 0 HA ILE A 51 6.637 -8.530 6.769 1.00 61.03 H new ATOM 0 HB ILE A 51 5.331 -8.329 4.159 1.00 70.35 H new ATOM 0 HG12 ILE A 51 5.601 -11.150 5.261 1.00 4.13 H new ATOM 0 HG13 ILE A 51 4.071 -10.312 5.089 1.00 4.13 H new ATOM 0 HG21 ILE A 51 7.377 -9.605 3.492 1.00 42.54 H new ATOM 0 HG22 ILE A 51 7.777 -8.240 4.562 1.00 42.54 H new ATOM 0 HG23 ILE A 51 7.737 -9.897 5.210 1.00 42.54 H new ATOM 0 HD11 ILE A 51 4.446 -11.844 3.226 1.00 53.42 H new ATOM 0 HD12 ILE A 51 4.413 -10.160 2.652 1.00 53.42 H new ATOM 0 HD13 ILE A 51 5.967 -11.010 2.827 1.00 53.42 H new ATOM 853 N GLU A 52 6.005 -6.112 6.819 1.00 4.24 N ATOM 854 CA GLU A 52 5.636 -4.700 6.892 1.00 1.21 C ATOM 855 C GLU A 52 6.327 -3.892 5.797 1.00 72.13 C ATOM 856 O GLU A 52 7.558 -3.803 5.755 1.00 31.33 O ATOM 857 CB GLU A 52 5.956 -4.115 8.273 1.00 12.42 C ATOM 858 CG GLU A 52 5.413 -4.942 9.437 1.00 55.43 C ATOM 859 CD GLU A 52 5.489 -4.219 10.768 1.00 65.31 C ATOM 860 OE1 GLU A 52 6.609 -3.993 11.259 1.00 64.35 O ATOM 861 OE2 GLU A 52 4.422 -3.879 11.326 1.00 63.11 O ATOM 0 H GLU A 52 6.901 -6.338 7.252 1.00 4.24 H new ATOM 0 HA GLU A 52 4.559 -4.635 6.735 1.00 1.21 H new ATOM 0 HB2 GLU A 52 7.037 -4.026 8.377 1.00 12.42 H new ATOM 0 HB3 GLU A 52 5.546 -3.107 8.334 1.00 12.42 H new ATOM 0 HG2 GLU A 52 4.376 -5.207 9.233 1.00 55.43 H new ATOM 0 HG3 GLU A 52 5.973 -5.875 9.505 1.00 55.43 H new ATOM 868 N PHE A 53 5.519 -3.359 4.880 1.00 24.25 N ATOM 869 CA PHE A 53 6.012 -2.577 3.739 1.00 54.04 C ATOM 870 C PHE A 53 5.701 -1.097 3.903 1.00 2.14 C ATOM 871 O PHE A 53 4.900 -0.716 4.766 1.00 10.31 O ATOM 872 CB PHE A 53 5.386 -3.070 2.430 1.00 4.24 C ATOM 873 CG PHE A 53 5.815 -4.445 1.976 1.00 31.02 C ATOM 874 CD1 PHE A 53 6.802 -5.159 2.635 1.00 12.32 C ATOM 875 CD2 PHE A 53 5.230 -5.013 0.864 1.00 33.15 C ATOM 876 CE1 PHE A 53 7.190 -6.391 2.202 1.00 61.23 C ATOM 877 CE2 PHE A 53 5.612 -6.253 0.427 1.00 22.31 C ATOM 878 CZ PHE A 53 6.597 -6.939 1.102 1.00 44.02 C ATOM 0 H PHE A 53 4.504 -3.456 4.905 1.00 24.25 H new ATOM 0 HA PHE A 53 7.093 -2.712 3.704 1.00 54.04 H new ATOM 0 HB2 PHE A 53 4.302 -3.067 2.543 1.00 4.24 H new ATOM 0 HB3 PHE A 53 5.626 -2.356 1.642 1.00 4.24 H new ATOM 0 HD1 PHE A 53 7.273 -4.731 3.508 1.00 12.32 H new ATOM 0 HD2 PHE A 53 4.461 -4.473 0.331 1.00 33.15 H new ATOM 0 HE1 PHE A 53 7.964 -6.932 2.727 1.00 61.23 H new ATOM 0 HE2 PHE A 53 5.144 -6.691 -0.442 1.00 22.31 H new ATOM 0 HZ PHE A 53 6.902 -7.917 0.759 1.00 44.02 H new ATOM 888 N GLU A 54 6.340 -0.255 3.077 1.00 3.33 N ATOM 889 CA GLU A 54 5.986 1.162 3.050 1.00 44.14 C ATOM 890 C GLU A 54 4.733 1.397 2.199 1.00 72.33 C ATOM 891 O GLU A 54 3.894 2.225 2.552 1.00 11.10 O ATOM 892 CB GLU A 54 7.161 2.066 2.603 1.00 44.21 C ATOM 893 CG GLU A 54 7.469 2.100 1.101 1.00 51.10 C ATOM 894 CD GLU A 54 8.516 3.148 0.738 1.00 74.51 C ATOM 895 OE1 GLU A 54 8.325 4.333 1.083 1.00 63.14 O ATOM 896 OE2 GLU A 54 9.526 2.785 0.102 1.00 64.31 O ATOM 0 H GLU A 54 7.086 -0.526 2.436 1.00 3.33 H new ATOM 0 HA GLU A 54 5.758 1.451 4.076 1.00 44.14 H new ATOM 0 HB2 GLU A 54 6.951 3.084 2.931 1.00 44.21 H new ATOM 0 HB3 GLU A 54 8.059 1.741 3.128 1.00 44.21 H new ATOM 0 HG2 GLU A 54 7.819 1.118 0.784 1.00 51.10 H new ATOM 0 HG3 GLU A 54 6.551 2.304 0.551 1.00 51.10 H new ATOM 903 N ASP A 55 4.566 0.626 1.114 1.00 53.43 N ATOM 904 CA ASP A 55 3.496 0.918 0.176 1.00 45.43 C ATOM 905 C ASP A 55 2.515 -0.232 0.043 1.00 13.30 C ATOM 906 O ASP A 55 2.880 -1.368 -0.270 1.00 43.44 O ATOM 907 CB ASP A 55 4.057 1.279 -1.192 1.00 72.24 C ATOM 908 CG ASP A 55 3.463 2.573 -1.675 1.00 64.11 C ATOM 909 OD1 ASP A 55 2.229 2.642 -1.773 1.00 33.32 O ATOM 910 OD2 ASP A 55 4.215 3.541 -1.877 1.00 3.15 O ATOM 0 H ASP A 55 5.145 -0.180 0.877 1.00 53.43 H new ATOM 0 HA ASP A 55 2.953 1.773 0.579 1.00 45.43 H new ATOM 0 HB2 ASP A 55 5.142 1.368 -1.136 1.00 72.24 H new ATOM 0 HB3 ASP A 55 3.839 0.483 -1.904 1.00 72.24 H new ATOM 915 N ALA A 56 1.257 0.108 0.290 1.00 62.25 N ATOM 916 CA ALA A 56 0.159 -0.841 0.291 1.00 34.24 C ATOM 917 C ALA A 56 -0.378 -1.196 -1.103 1.00 52.20 C ATOM 918 O ALA A 56 -0.584 -2.363 -1.396 1.00 12.11 O ATOM 919 CB ALA A 56 -0.943 -0.301 1.173 1.00 72.34 C ATOM 0 H ALA A 56 0.970 1.064 0.498 1.00 62.25 H new ATOM 0 HA ALA A 56 0.548 -1.781 0.683 1.00 34.24 H new ATOM 0 HB1 ALA A 56 -1.777 -1.003 1.185 1.00 72.34 H new ATOM 0 HB2 ALA A 56 -0.566 -0.169 2.187 1.00 72.34 H new ATOM 0 HB3 ALA A 56 -1.283 0.659 0.784 1.00 72.34 H new ATOM 925 N ARG A 57 -0.604 -0.191 -1.964 1.00 73.44 N ATOM 926 CA ARG A 57 -1.323 -0.418 -3.238 1.00 64.13 C ATOM 927 C ARG A 57 -0.450 -1.121 -4.298 1.00 0.23 C ATOM 928 O ARG A 57 -0.971 -1.719 -5.235 1.00 44.41 O ATOM 929 CB ARG A 57 -2.005 0.873 -3.777 1.00 74.03 C ATOM 930 CG ARG A 57 -1.153 1.856 -4.592 1.00 25.43 C ATOM 931 CD ARG A 57 -0.030 2.469 -3.790 1.00 4.54 C ATOM 932 NE ARG A 57 0.236 3.863 -4.155 1.00 54.01 N ATOM 933 CZ ARG A 57 1.248 4.272 -4.932 1.00 60.31 C ATOM 934 NH1 ARG A 57 2.115 3.404 -5.457 1.00 31.11 N ATOM 935 NH2 ARG A 57 1.400 5.574 -5.171 1.00 42.12 N ATOM 0 H ARG A 57 -0.307 0.773 -1.810 1.00 73.44 H new ATOM 0 HA ARG A 57 -2.131 -1.113 -3.010 1.00 64.13 H new ATOM 0 HB2 ARG A 57 -2.849 0.570 -4.397 1.00 74.03 H new ATOM 0 HB3 ARG A 57 -2.414 1.415 -2.924 1.00 74.03 H new ATOM 0 HG2 ARG A 57 -0.735 1.337 -5.455 1.00 25.43 H new ATOM 0 HG3 ARG A 57 -1.793 2.650 -4.977 1.00 25.43 H new ATOM 0 HD2 ARG A 57 -0.277 2.417 -2.730 1.00 4.54 H new ATOM 0 HD3 ARG A 57 0.876 1.881 -3.935 1.00 4.54 H new ATOM 0 HE ARG A 57 -0.397 4.575 -3.790 1.00 54.01 H new ATOM 0 HH11 ARG A 57 2.015 2.406 -5.270 1.00 31.11 H new ATOM 0 HH12 ARG A 57 2.878 3.738 -6.046 1.00 31.11 H new ATOM 0 HH21 ARG A 57 0.750 6.247 -4.764 1.00 42.12 H new ATOM 0 HH22 ARG A 57 2.166 5.898 -5.761 1.00 42.12 H new ATOM 949 N ASP A 58 0.868 -1.027 -4.148 1.00 35.33 N ATOM 950 CA ASP A 58 1.802 -1.741 -5.022 1.00 73.20 C ATOM 951 C ASP A 58 1.910 -3.225 -4.613 1.00 34.43 C ATOM 952 O ASP A 58 2.076 -4.111 -5.453 1.00 2.33 O ATOM 953 CB ASP A 58 3.169 -1.058 -4.972 1.00 22.11 C ATOM 954 CG ASP A 58 3.609 -0.553 -6.333 1.00 1.44 C ATOM 955 OD1 ASP A 58 3.252 0.596 -6.675 1.00 34.11 O ATOM 956 OD2 ASP A 58 4.316 -1.291 -7.053 1.00 63.32 O ATOM 0 H ASP A 58 1.318 -0.462 -3.428 1.00 35.33 H new ATOM 0 HA ASP A 58 1.428 -1.709 -6.045 1.00 73.20 H new ATOM 0 HB2 ASP A 58 3.131 -0.223 -4.272 1.00 22.11 H new ATOM 0 HB3 ASP A 58 3.910 -1.760 -4.590 1.00 22.11 H new ATOM 961 N ALA A 59 1.783 -3.473 -3.303 1.00 1.31 N ATOM 962 CA ALA A 59 1.736 -4.826 -2.710 1.00 51.43 C ATOM 963 C ALA A 59 0.424 -5.569 -3.055 1.00 5.55 C ATOM 964 O ALA A 59 0.337 -6.814 -2.993 1.00 62.14 O ATOM 965 CB ALA A 59 1.927 -4.738 -1.203 1.00 55.50 C ATOM 0 H ALA A 59 1.708 -2.729 -2.609 1.00 1.31 H new ATOM 0 HA ALA A 59 2.551 -5.407 -3.142 1.00 51.43 H new ATOM 0 HB1 ALA A 59 1.891 -5.739 -0.773 1.00 55.50 H new ATOM 0 HB2 ALA A 59 2.893 -4.283 -0.985 1.00 55.50 H new ATOM 0 HB3 ALA A 59 1.133 -4.129 -0.771 1.00 55.50 H new ATOM 971 N ALA A 60 -0.619 -4.780 -3.339 1.00 25.23 N ATOM 972 CA ALA A 60 -1.943 -5.280 -3.723 1.00 45.24 C ATOM 973 C ALA A 60 -1.913 -6.204 -4.961 1.00 31.34 C ATOM 974 O ALA A 60 -2.792 -7.046 -5.105 1.00 40.13 O ATOM 975 CB ALA A 60 -2.895 -4.118 -3.964 1.00 62.32 C ATOM 0 H ALA A 60 -0.565 -3.762 -3.308 1.00 25.23 H new ATOM 0 HA ALA A 60 -2.297 -5.886 -2.889 1.00 45.24 H new ATOM 0 HB1 ALA A 60 -3.874 -4.503 -4.248 1.00 62.32 H new ATOM 0 HB2 ALA A 60 -2.988 -3.528 -3.052 1.00 62.32 H new ATOM 0 HB3 ALA A 60 -2.506 -3.489 -4.765 1.00 62.32 H new ATOM 981 N ASP A 61 -0.913 -6.036 -5.847 1.00 13.31 N ATOM 982 CA ASP A 61 -0.730 -6.935 -6.995 1.00 44.35 C ATOM 983 C ASP A 61 -0.276 -8.329 -6.543 1.00 71.42 C ATOM 984 O ASP A 61 -0.743 -9.342 -7.066 1.00 75.52 O ATOM 985 CB ASP A 61 0.253 -6.345 -8.005 1.00 51.03 C ATOM 986 CG ASP A 61 -0.437 -5.916 -9.292 1.00 75.22 C ATOM 987 OD1 ASP A 61 -1.402 -5.123 -9.219 1.00 20.14 O ATOM 988 OD2 ASP A 61 -0.050 -6.406 -10.379 1.00 32.15 O ATOM 0 H ASP A 61 -0.223 -5.287 -5.787 1.00 13.31 H new ATOM 0 HA ASP A 61 -1.697 -7.041 -7.487 1.00 44.35 H new ATOM 0 HB2 ASP A 61 0.757 -5.487 -7.561 1.00 51.03 H new ATOM 0 HB3 ASP A 61 1.022 -7.082 -8.235 1.00 51.03 H new ATOM 993 N ALA A 62 0.607 -8.369 -5.537 1.00 62.31 N ATOM 994 CA ALA A 62 1.047 -9.622 -4.914 1.00 24.01 C ATOM 995 C ALA A 62 -0.101 -10.303 -4.179 1.00 32.43 C ATOM 996 O ALA A 62 -0.295 -11.527 -4.300 1.00 23.12 O ATOM 997 CB ALA A 62 2.185 -9.351 -3.950 1.00 51.01 C ATOM 0 H ALA A 62 1.035 -7.536 -5.134 1.00 62.31 H new ATOM 0 HA ALA A 62 1.392 -10.289 -5.704 1.00 24.01 H new ATOM 0 HB1 ALA A 62 2.505 -10.287 -3.492 1.00 51.01 H new ATOM 0 HB2 ALA A 62 3.021 -8.907 -4.490 1.00 51.01 H new ATOM 0 HB3 ALA A 62 1.848 -8.664 -3.174 1.00 51.01 H new ATOM 1003 N ILE A 63 -0.898 -9.512 -3.454 1.00 72.04 N ATOM 1004 CA ILE A 63 -2.032 -10.084 -2.745 1.00 53.14 C ATOM 1005 C ILE A 63 -3.136 -10.537 -3.735 1.00 42.43 C ATOM 1006 O ILE A 63 -3.850 -11.466 -3.425 1.00 32.43 O ATOM 1007 CB ILE A 63 -2.549 -9.162 -1.592 1.00 3.30 C ATOM 1008 CG1 ILE A 63 -3.141 -10.017 -0.426 1.00 63.02 C ATOM 1009 CG2 ILE A 63 -3.548 -8.112 -2.085 1.00 73.03 C ATOM 1010 CD1 ILE A 63 -4.606 -10.409 -0.553 1.00 45.54 C ATOM 0 H ILE A 63 -0.780 -8.504 -3.347 1.00 72.04 H new ATOM 0 HA ILE A 63 -1.689 -10.985 -2.237 1.00 53.14 H new ATOM 0 HB ILE A 63 -1.691 -8.610 -1.209 1.00 3.30 H new ATOM 0 HG12 ILE A 63 -2.550 -10.928 -0.336 1.00 63.02 H new ATOM 0 HG13 ILE A 63 -3.015 -9.462 0.503 1.00 63.02 H new ATOM 0 HG21 ILE A 63 -3.875 -7.499 -1.245 1.00 73.03 H new ATOM 0 HG22 ILE A 63 -3.071 -7.479 -2.833 1.00 73.03 H new ATOM 0 HG23 ILE A 63 -4.410 -8.610 -2.528 1.00 73.03 H new ATOM 0 HD11 ILE A 63 -4.901 -10.999 0.315 1.00 45.54 H new ATOM 0 HD12 ILE A 63 -5.220 -9.510 -0.606 1.00 45.54 H new ATOM 0 HD13 ILE A 63 -4.748 -10.999 -1.458 1.00 45.54 H new ATOM 1022 N LYS A 64 -3.278 -9.903 -4.915 1.00 33.25 N ATOM 1023 CA LYS A 64 -4.250 -10.410 -5.897 1.00 14.24 C ATOM 1024 C LYS A 64 -3.722 -11.621 -6.670 1.00 70.13 C ATOM 1025 O LYS A 64 -4.517 -12.441 -7.136 1.00 41.21 O ATOM 1026 CB LYS A 64 -4.809 -9.304 -6.835 1.00 30.10 C ATOM 1027 CG LYS A 64 -3.825 -8.662 -7.826 1.00 43.10 C ATOM 1028 CD LYS A 64 -3.610 -9.477 -9.106 1.00 33.42 C ATOM 1029 CE LYS A 64 -2.730 -8.750 -10.100 1.00 73.33 C ATOM 1030 NZ LYS A 64 -3.469 -7.699 -10.831 1.00 2.21 N ATOM 0 H LYS A 64 -2.756 -9.075 -5.202 1.00 33.25 H new ATOM 0 HA LYS A 64 -5.102 -10.760 -5.314 1.00 14.24 H new ATOM 0 HB2 LYS A 64 -5.634 -9.730 -7.406 1.00 30.10 H new ATOM 0 HB3 LYS A 64 -5.227 -8.513 -6.213 1.00 30.10 H new ATOM 0 HG2 LYS A 64 -4.191 -7.671 -8.095 1.00 43.10 H new ATOM 0 HG3 LYS A 64 -2.864 -8.523 -7.330 1.00 43.10 H new ATOM 0 HD2 LYS A 64 -3.157 -10.436 -8.854 1.00 33.42 H new ATOM 0 HD3 LYS A 64 -4.575 -9.692 -9.565 1.00 33.42 H new ATOM 0 HE2 LYS A 64 -1.886 -8.302 -9.576 1.00 73.33 H new ATOM 0 HE3 LYS A 64 -2.320 -9.466 -10.812 1.00 73.33 H new ATOM 0 HZ1 LYS A 64 -2.829 -7.227 -11.501 1.00 2.21 H new ATOM 0 HZ2 LYS A 64 -4.260 -8.129 -11.352 1.00 2.21 H new ATOM 0 HZ3 LYS A 64 -3.839 -7.001 -10.155 1.00 2.21 H new ATOM 1044 N GLU A 65 -2.394 -11.752 -6.830 1.00 70.50 N ATOM 1045 CA GLU A 65 -1.872 -12.948 -7.506 1.00 62.45 C ATOM 1046 C GLU A 65 -1.834 -14.151 -6.557 1.00 62.53 C ATOM 1047 O GLU A 65 -1.844 -15.299 -7.008 1.00 12.52 O ATOM 1048 CB GLU A 65 -0.505 -12.723 -8.169 1.00 11.24 C ATOM 1049 CG GLU A 65 0.630 -12.413 -7.218 1.00 75.42 C ATOM 1050 CD GLU A 65 1.845 -13.295 -7.421 1.00 43.22 C ATOM 1051 OE1 GLU A 65 1.707 -14.410 -7.987 1.00 4.40 O ATOM 1052 OE2 GLU A 65 2.940 -12.889 -6.995 1.00 44.43 O ATOM 0 H GLU A 65 -1.693 -11.080 -6.517 1.00 70.50 H new ATOM 0 HA GLU A 65 -2.570 -13.167 -8.314 1.00 62.45 H new ATOM 0 HB2 GLU A 65 -0.245 -13.614 -8.741 1.00 11.24 H new ATOM 0 HB3 GLU A 65 -0.595 -11.903 -8.881 1.00 11.24 H new ATOM 0 HG2 GLU A 65 0.923 -11.370 -7.342 1.00 75.42 H new ATOM 0 HG3 GLU A 65 0.276 -12.525 -6.193 1.00 75.42 H new ATOM 1059 N LYS A 66 -1.804 -13.886 -5.240 1.00 22.10 N ATOM 1060 CA LYS A 66 -1.875 -14.964 -4.246 1.00 52.51 C ATOM 1061 C LYS A 66 -3.240 -14.973 -3.494 1.00 22.41 C ATOM 1062 O LYS A 66 -3.397 -15.621 -2.462 1.00 4.43 O ATOM 1063 CB LYS A 66 -0.630 -14.908 -3.332 1.00 52.20 C ATOM 1064 CG LYS A 66 0.659 -14.904 -4.166 1.00 44.15 C ATOM 1065 CD LYS A 66 1.939 -15.191 -3.393 1.00 51.51 C ATOM 1066 CE LYS A 66 3.153 -15.068 -4.330 1.00 34.13 C ATOM 1067 NZ LYS A 66 4.461 -15.330 -3.659 1.00 3.33 N ATOM 0 H LYS A 66 -1.732 -12.948 -4.846 1.00 22.10 H new ATOM 0 HA LYS A 66 -1.847 -15.931 -4.748 1.00 52.51 H new ATOM 0 HB2 LYS A 66 -0.669 -14.013 -2.711 1.00 52.20 H new ATOM 0 HB3 LYS A 66 -0.630 -15.764 -2.658 1.00 52.20 H new ATOM 0 HG2 LYS A 66 0.560 -15.645 -4.960 1.00 44.15 H new ATOM 0 HG3 LYS A 66 0.756 -13.931 -4.648 1.00 44.15 H new ATOM 0 HD2 LYS A 66 2.037 -14.492 -2.562 1.00 51.51 H new ATOM 0 HD3 LYS A 66 1.899 -16.192 -2.964 1.00 51.51 H new ATOM 0 HE2 LYS A 66 3.034 -15.767 -5.158 1.00 34.13 H new ATOM 0 HE3 LYS A 66 3.169 -14.066 -4.759 1.00 34.13 H new ATOM 0 HZ1 LYS A 66 5.235 -15.180 -4.337 1.00 3.33 H new ATOM 0 HZ2 LYS A 66 4.575 -14.681 -2.854 1.00 3.33 H new ATOM 0 HZ3 LYS A 66 4.486 -16.312 -3.318 1.00 3.33 H new ATOM 1081 N ASP A 67 -4.208 -14.228 -4.064 1.00 71.30 N ATOM 1082 CA ASP A 67 -5.650 -14.233 -3.683 1.00 12.12 C ATOM 1083 C ASP A 67 -6.301 -15.579 -4.023 1.00 30.42 C ATOM 1084 O ASP A 67 -5.858 -16.270 -4.950 1.00 71.34 O ATOM 1085 CB ASP A 67 -6.407 -13.073 -4.360 1.00 23.54 C ATOM 1086 CG ASP A 67 -7.875 -12.986 -3.965 1.00 51.30 C ATOM 1087 OD1 ASP A 67 -8.161 -12.879 -2.751 1.00 63.34 O ATOM 1088 OD2 ASP A 67 -8.744 -13.057 -4.857 1.00 41.04 O ATOM 0 H ASP A 67 -4.010 -13.582 -4.828 1.00 71.30 H new ATOM 0 HA ASP A 67 -5.710 -14.089 -2.604 1.00 12.12 H new ATOM 0 HB2 ASP A 67 -5.916 -12.134 -4.107 1.00 23.54 H new ATOM 0 HB3 ASP A 67 -6.337 -13.188 -5.442 1.00 23.54 H new ATOM 1093 N GLY A 68 -7.373 -15.947 -3.303 1.00 0.12 N ATOM 1094 CA GLY A 68 -7.802 -17.325 -3.308 1.00 22.50 C ATOM 1095 C GLY A 68 -7.628 -17.985 -1.973 1.00 63.35 C ATOM 1096 O GLY A 68 -7.516 -19.212 -1.903 1.00 61.35 O ATOM 0 H GLY A 68 -7.935 -15.318 -2.730 1.00 0.12 H new ATOM 0 HA2 GLY A 68 -8.851 -17.375 -3.600 1.00 22.50 H new ATOM 0 HA3 GLY A 68 -7.235 -17.876 -4.059 1.00 22.50 H new ATOM 1100 N CYS A 69 -7.558 -17.160 -0.919 1.00 61.21 N ATOM 1101 CA CYS A 69 -7.300 -17.641 0.430 1.00 62.01 C ATOM 1102 C CYS A 69 -8.372 -18.634 0.898 1.00 34.44 C ATOM 1103 O CYS A 69 -9.582 -18.385 0.772 1.00 1.31 O ATOM 1104 CB CYS A 69 -7.214 -16.453 1.401 1.00 30.32 C ATOM 1105 SG CYS A 69 -8.633 -15.337 1.348 1.00 5.33 S ATOM 0 H CYS A 69 -7.679 -16.149 -0.984 1.00 61.21 H new ATOM 0 HA CYS A 69 -6.348 -18.171 0.419 1.00 62.01 H new ATOM 0 HB2 CYS A 69 -7.107 -16.837 2.416 1.00 30.32 H new ATOM 0 HB3 CYS A 69 -6.312 -15.883 1.179 1.00 30.32 H new ATOM 0 HG CYS A 69 -9.703 -16.010 1.046 1.00 5.33 H new ATOM 1111 N ASP A 70 -7.906 -19.754 1.444 1.00 50.23 N ATOM 1112 CA ASP A 70 -8.784 -20.879 1.723 1.00 42.41 C ATOM 1113 C ASP A 70 -8.558 -21.474 3.110 1.00 53.23 C ATOM 1114 O ASP A 70 -7.411 -21.517 3.615 1.00 21.41 O ATOM 1115 CB ASP A 70 -8.621 -21.951 0.653 1.00 12.43 C ATOM 1116 CG ASP A 70 -9.965 -22.522 0.243 1.00 0.23 C ATOM 1117 OD1 ASP A 70 -10.520 -23.352 0.996 1.00 31.21 O ATOM 1118 OD2 ASP A 70 -10.469 -22.140 -0.833 1.00 62.42 O ATOM 0 H ASP A 70 -6.930 -19.903 1.700 1.00 50.23 H new ATOM 0 HA ASP A 70 -9.805 -20.499 1.706 1.00 42.41 H new ATOM 0 HB2 ASP A 70 -8.122 -21.527 -0.218 1.00 12.43 H new ATOM 0 HB3 ASP A 70 -7.982 -22.750 1.029 1.00 12.43 H new ATOM 1123 N PHE A 71 -9.673 -21.972 3.663 1.00 11.45 N ATOM 1124 CA PHE A 71 -9.808 -22.494 5.026 1.00 4.24 C ATOM 1125 C PHE A 71 -10.761 -23.711 5.055 1.00 13.01 C ATOM 1126 O PHE A 71 -11.684 -23.764 4.240 1.00 41.13 O ATOM 1127 CB PHE A 71 -10.274 -21.417 6.028 1.00 2.42 C ATOM 1128 CG PHE A 71 -11.321 -20.454 5.522 1.00 40.33 C ATOM 1129 CD1 PHE A 71 -12.657 -20.823 5.441 1.00 21.22 C ATOM 1130 CD2 PHE A 71 -10.965 -19.164 5.159 1.00 35.32 C ATOM 1131 CE1 PHE A 71 -13.614 -19.925 5.009 1.00 31.41 C ATOM 1132 CE2 PHE A 71 -11.918 -18.264 4.719 1.00 62.12 C ATOM 1133 CZ PHE A 71 -13.242 -18.644 4.647 1.00 24.20 C ATOM 0 H PHE A 71 -10.549 -22.023 3.143 1.00 11.45 H new ATOM 0 HA PHE A 71 -8.815 -22.815 5.341 1.00 4.24 H new ATOM 0 HB2 PHE A 71 -10.666 -21.918 6.913 1.00 2.42 H new ATOM 0 HB3 PHE A 71 -9.404 -20.843 6.346 1.00 2.42 H new ATOM 0 HD1 PHE A 71 -12.952 -21.824 5.719 1.00 21.22 H new ATOM 0 HD2 PHE A 71 -9.931 -18.859 5.221 1.00 35.32 H new ATOM 0 HE1 PHE A 71 -14.651 -20.223 4.954 1.00 31.41 H new ATOM 0 HE2 PHE A 71 -11.626 -17.265 4.432 1.00 62.12 H new ATOM 0 HZ PHE A 71 -13.988 -17.941 4.308 1.00 24.20 H new ATOM 1143 N GLU A 72 -10.491 -24.695 5.954 1.00 14.54 N ATOM 1144 CA GLU A 72 -11.341 -25.915 6.148 1.00 13.31 C ATOM 1145 C GLU A 72 -11.211 -26.956 5.023 1.00 60.42 C ATOM 1146 O GLU A 72 -12.120 -27.160 4.215 1.00 44.40 O ATOM 1147 CB GLU A 72 -12.826 -25.591 6.409 1.00 52.44 C ATOM 1148 CG GLU A 72 -13.083 -24.807 7.686 1.00 12.15 C ATOM 1149 CD GLU A 72 -14.561 -24.601 7.955 1.00 61.33 C ATOM 1150 OE1 GLU A 72 -15.156 -23.683 7.351 1.00 71.50 O ATOM 1151 OE2 GLU A 72 -15.128 -25.356 8.775 1.00 75.32 O ATOM 0 H GLU A 72 -9.677 -24.670 6.569 1.00 14.54 H new ATOM 0 HA GLU A 72 -10.934 -26.368 7.052 1.00 13.31 H new ATOM 0 HB2 GLU A 72 -13.215 -25.023 5.564 1.00 52.44 H new ATOM 0 HB3 GLU A 72 -13.387 -26.525 6.451 1.00 52.44 H new ATOM 0 HG2 GLU A 72 -12.634 -25.334 8.528 1.00 12.15 H new ATOM 0 HG3 GLU A 72 -12.591 -23.837 7.618 1.00 12.15 H new ATOM 1158 N GLY A 73 -10.021 -27.550 4.961 1.00 11.30 N ATOM 1159 CA GLY A 73 -9.725 -28.638 4.030 1.00 51.25 C ATOM 1160 C GLY A 73 -8.959 -28.196 2.804 1.00 60.31 C ATOM 1161 O GLY A 73 -8.437 -29.036 2.070 1.00 73.44 O ATOM 0 H GLY A 73 -9.234 -27.291 5.555 1.00 11.30 H new ATOM 0 HA2 GLY A 73 -9.150 -29.404 4.551 1.00 51.25 H new ATOM 0 HA3 GLY A 73 -10.661 -29.101 3.716 1.00 51.25 H new ATOM 1165 N ASN A 74 -8.855 -26.897 2.585 1.00 41.15 N ATOM 1166 CA ASN A 74 -7.789 -26.355 1.763 1.00 34.23 C ATOM 1167 C ASN A 74 -7.014 -25.372 2.613 1.00 63.43 C ATOM 1168 O ASN A 74 -7.605 -24.490 3.226 1.00 73.31 O ATOM 1169 CB ASN A 74 -8.303 -25.661 0.495 1.00 24.33 C ATOM 1170 CG ASN A 74 -9.128 -26.567 -0.398 1.00 30.21 C ATOM 1171 OD1 ASN A 74 -8.588 -27.318 -1.207 1.00 53.02 O ATOM 1172 ND2 ASN A 74 -10.442 -26.474 -0.283 1.00 22.41 N ATOM 0 H ASN A 74 -9.495 -26.199 2.965 1.00 41.15 H new ATOM 0 HA ASN A 74 -7.160 -27.177 1.422 1.00 34.23 H new ATOM 0 HB2 ASN A 74 -8.906 -24.799 0.781 1.00 24.33 H new ATOM 0 HB3 ASN A 74 -7.453 -25.281 -0.072 1.00 24.33 H new ATOM 0 HD21 ASN A 74 -11.047 -27.039 -0.879 1.00 22.41 H new ATOM 0 HD22 ASN A 74 -10.850 -25.838 0.402 1.00 22.41 H new ATOM 1179 N LYS A 75 -5.720 -25.588 2.748 1.00 73.54 N ATOM 1180 CA LYS A 75 -4.874 -24.698 3.528 1.00 21.42 C ATOM 1181 C LYS A 75 -4.229 -23.650 2.635 1.00 61.31 C ATOM 1182 O LYS A 75 -3.270 -23.976 1.925 1.00 52.11 O ATOM 1183 CB LYS A 75 -3.800 -25.494 4.278 1.00 11.22 C ATOM 1184 CG LYS A 75 -4.195 -26.016 5.662 1.00 53.51 C ATOM 1185 CD LYS A 75 -5.148 -27.214 5.613 1.00 31.00 C ATOM 1186 CE LYS A 75 -6.573 -26.834 5.994 1.00 55.34 C ATOM 1187 NZ LYS A 75 -6.677 -26.392 7.407 1.00 61.55 N ATOM 0 H LYS A 75 -5.227 -26.375 2.326 1.00 73.54 H new ATOM 0 HA LYS A 75 -5.501 -24.188 4.260 1.00 21.42 H new ATOM 0 HB2 LYS A 75 -3.509 -26.344 3.661 1.00 11.22 H new ATOM 0 HB3 LYS A 75 -2.918 -24.862 4.388 1.00 11.22 H new ATOM 0 HG2 LYS A 75 -3.294 -26.300 6.205 1.00 53.51 H new ATOM 0 HG3 LYS A 75 -4.666 -25.210 6.225 1.00 53.51 H new ATOM 0 HD2 LYS A 75 -5.143 -27.638 4.609 1.00 31.00 H new ATOM 0 HD3 LYS A 75 -4.788 -27.990 6.289 1.00 31.00 H new ATOM 0 HE2 LYS A 75 -6.922 -26.036 5.339 1.00 55.34 H new ATOM 0 HE3 LYS A 75 -7.230 -27.688 5.833 1.00 55.34 H new ATOM 0 HZ1 LYS A 75 -7.651 -26.532 7.744 1.00 61.55 H new ATOM 0 HZ2 LYS A 75 -6.024 -26.949 7.994 1.00 61.55 H new ATOM 0 HZ3 LYS A 75 -6.429 -25.384 7.475 1.00 61.55 H new ATOM 1201 N LEU A 76 -4.722 -22.392 2.663 1.00 11.13 N ATOM 1202 CA LEU A 76 -4.189 -21.376 1.732 1.00 30.10 C ATOM 1203 C LEU A 76 -4.511 -19.928 2.121 1.00 11.43 C ATOM 1204 O LEU A 76 -5.038 -19.208 1.298 1.00 55.54 O ATOM 1205 CB LEU A 76 -4.768 -21.646 0.320 1.00 45.24 C ATOM 1206 CG LEU A 76 -3.788 -22.201 -0.719 1.00 1.41 C ATOM 1207 CD1 LEU A 76 -4.501 -23.145 -1.672 1.00 73.11 C ATOM 1208 CD2 LEU A 76 -3.140 -21.068 -1.502 1.00 14.34 C ATOM 0 H LEU A 76 -5.456 -22.066 3.291 1.00 11.13 H new ATOM 0 HA LEU A 76 -3.104 -21.471 1.763 1.00 30.10 H new ATOM 0 HB2 LEU A 76 -5.597 -22.347 0.418 1.00 45.24 H new ATOM 0 HB3 LEU A 76 -5.183 -20.714 -0.064 1.00 45.24 H new ATOM 0 HG LEU A 76 -3.010 -22.753 -0.191 1.00 1.41 H new ATOM 0 HD11 LEU A 76 -3.790 -23.530 -2.403 1.00 73.11 H new ATOM 0 HD12 LEU A 76 -4.928 -23.975 -1.110 1.00 73.11 H new ATOM 0 HD13 LEU A 76 -5.297 -22.608 -2.188 1.00 73.11 H new ATOM 0 HD21 LEU A 76 -2.447 -21.482 -2.235 1.00 14.34 H new ATOM 0 HD22 LEU A 76 -3.911 -20.493 -2.015 1.00 14.34 H new ATOM 0 HD23 LEU A 76 -2.597 -20.416 -0.817 1.00 14.34 H new ATOM 1220 N ARG A 77 -4.130 -19.430 3.304 1.00 71.00 N ATOM 1221 CA ARG A 77 -4.580 -18.079 3.686 1.00 44.40 C ATOM 1222 C ARG A 77 -3.515 -17.026 3.330 1.00 20.00 C ATOM 1223 O ARG A 77 -2.408 -17.034 3.829 1.00 10.12 O ATOM 1224 CB ARG A 77 -4.993 -18.065 5.183 1.00 40.43 C ATOM 1225 CG ARG A 77 -4.925 -16.703 5.909 1.00 21.52 C ATOM 1226 CD ARG A 77 -5.914 -15.666 5.370 1.00 73.40 C ATOM 1227 NE ARG A 77 -7.320 -16.031 5.612 1.00 40.21 N ATOM 1228 CZ ARG A 77 -8.338 -15.156 5.615 1.00 13.42 C ATOM 1229 NH1 ARG A 77 -8.111 -13.880 5.403 1.00 31.33 N ATOM 1230 NH2 ARG A 77 -9.575 -15.573 5.843 1.00 32.12 N ATOM 0 H ARG A 77 -3.542 -19.910 3.985 1.00 71.00 H new ATOM 0 HA ARG A 77 -5.466 -17.808 3.112 1.00 44.40 H new ATOM 0 HB2 ARG A 77 -6.014 -18.440 5.258 1.00 40.43 H new ATOM 0 HB3 ARG A 77 -4.355 -18.768 5.719 1.00 40.43 H new ATOM 0 HG2 ARG A 77 -5.118 -16.858 6.971 1.00 21.52 H new ATOM 0 HG3 ARG A 77 -3.914 -16.306 5.823 1.00 21.52 H new ATOM 0 HD2 ARG A 77 -5.710 -14.701 5.835 1.00 73.40 H new ATOM 0 HD3 ARG A 77 -5.755 -15.544 4.299 1.00 73.40 H new ATOM 0 HE ARG A 77 -7.534 -17.012 5.789 1.00 40.21 H new ATOM 0 HH11 ARG A 77 -7.160 -13.552 5.236 1.00 31.33 H new ATOM 0 HH12 ARG A 77 -8.886 -13.217 5.406 1.00 31.33 H new ATOM 0 HH21 ARG A 77 -9.756 -16.562 6.017 1.00 32.12 H new ATOM 0 HH22 ARG A 77 -10.346 -14.905 5.845 1.00 32.12 H new ATOM 1244 N VAL A 78 -3.845 -16.153 2.390 1.00 33.14 N ATOM 1245 CA VAL A 78 -3.018 -14.989 2.097 1.00 5.15 C ATOM 1246 C VAL A 78 -3.918 -13.758 2.130 1.00 34.25 C ATOM 1247 O VAL A 78 -4.855 -13.671 1.329 1.00 3.35 O ATOM 1248 CB VAL A 78 -2.345 -15.066 0.689 1.00 11.53 C ATOM 1249 CG1 VAL A 78 -1.247 -14.013 0.558 1.00 14.44 C ATOM 1250 CG2 VAL A 78 -1.792 -16.454 0.378 1.00 12.34 C ATOM 0 H VAL A 78 -4.683 -16.228 1.814 1.00 33.14 H new ATOM 0 HA VAL A 78 -2.222 -14.944 2.840 1.00 5.15 H new ATOM 0 HB VAL A 78 -3.125 -14.861 -0.044 1.00 11.53 H new ATOM 0 HG11 VAL A 78 -0.791 -14.084 -0.430 1.00 14.44 H new ATOM 0 HG12 VAL A 78 -1.678 -13.020 0.689 1.00 14.44 H new ATOM 0 HG13 VAL A 78 -0.487 -14.182 1.321 1.00 14.44 H new ATOM 0 HG21 VAL A 78 -1.336 -16.451 -0.612 1.00 12.34 H new ATOM 0 HG22 VAL A 78 -1.042 -16.722 1.122 1.00 12.34 H new ATOM 0 HG23 VAL A 78 -2.603 -17.182 0.401 1.00 12.34 H new ATOM 1260 N GLU A 79 -3.663 -12.824 3.046 1.00 61.33 N ATOM 1261 CA GLU A 79 -4.454 -11.590 3.077 1.00 42.34 C ATOM 1262 C GLU A 79 -3.655 -10.424 3.653 1.00 3.31 C ATOM 1263 O GLU A 79 -2.813 -10.588 4.538 1.00 60.34 O ATOM 1264 CB GLU A 79 -5.765 -11.781 3.859 1.00 73.54 C ATOM 1265 CG GLU A 79 -6.774 -10.652 3.648 1.00 65.34 C ATOM 1266 CD GLU A 79 -8.014 -10.800 4.498 1.00 73.34 C ATOM 1267 OE1 GLU A 79 -7.932 -10.546 5.719 1.00 52.24 O ATOM 1268 OE2 GLU A 79 -9.069 -11.192 3.956 1.00 43.40 O ATOM 0 H GLU A 79 -2.936 -12.891 3.759 1.00 61.33 H new ATOM 0 HA GLU A 79 -4.706 -11.349 2.044 1.00 42.34 H new ATOM 0 HB2 GLU A 79 -6.221 -12.725 3.561 1.00 73.54 H new ATOM 0 HB3 GLU A 79 -5.536 -11.859 4.922 1.00 73.54 H new ATOM 0 HG2 GLU A 79 -6.297 -9.699 3.875 1.00 65.34 H new ATOM 0 HG3 GLU A 79 -7.062 -10.622 2.597 1.00 65.34 H new ATOM 1275 N VAL A 80 -3.899 -9.244 3.122 1.00 15.12 N ATOM 1276 CA VAL A 80 -3.364 -8.033 3.698 1.00 22.30 C ATOM 1277 C VAL A 80 -4.322 -7.453 4.759 1.00 51.31 C ATOM 1278 O VAL A 80 -5.502 -7.239 4.491 1.00 61.51 O ATOM 1279 CB VAL A 80 -3.055 -6.989 2.597 1.00 2.54 C ATOM 1280 CG1 VAL A 80 -1.902 -7.486 1.756 1.00 71.42 C ATOM 1281 CG2 VAL A 80 -4.260 -6.706 1.698 1.00 41.30 C ATOM 0 H VAL A 80 -4.468 -9.100 2.288 1.00 15.12 H new ATOM 0 HA VAL A 80 -2.428 -8.283 4.197 1.00 22.30 H new ATOM 0 HB VAL A 80 -2.798 -6.053 3.093 1.00 2.54 H new ATOM 0 HG11 VAL A 80 -1.678 -6.756 0.978 1.00 71.42 H new ATOM 0 HG12 VAL A 80 -1.024 -7.624 2.387 1.00 71.42 H new ATOM 0 HG13 VAL A 80 -2.171 -8.437 1.295 1.00 71.42 H new ATOM 0 HG21 VAL A 80 -3.986 -5.967 0.945 1.00 41.30 H new ATOM 0 HG22 VAL A 80 -4.571 -7.628 1.206 1.00 41.30 H new ATOM 0 HG23 VAL A 80 -5.082 -6.321 2.302 1.00 41.30 H new ATOM 1291 N PRO A 81 -3.853 -7.223 5.999 1.00 4.32 N ATOM 1292 CA PRO A 81 -4.623 -6.464 6.996 1.00 72.42 C ATOM 1293 C PRO A 81 -4.537 -4.937 6.825 1.00 12.04 C ATOM 1294 O PRO A 81 -5.043 -4.191 7.666 1.00 41.23 O ATOM 1295 CB PRO A 81 -3.996 -6.898 8.326 1.00 74.42 C ATOM 1296 CG PRO A 81 -2.603 -7.296 7.991 1.00 62.22 C ATOM 1297 CD PRO A 81 -2.629 -7.801 6.577 1.00 22.11 C ATOM 0 HA PRO A 81 -5.690 -6.672 6.911 1.00 72.42 H new ATOM 0 HB2 PRO A 81 -4.009 -6.084 9.051 1.00 74.42 H new ATOM 0 HB3 PRO A 81 -4.547 -7.728 8.768 1.00 74.42 H new ATOM 0 HG2 PRO A 81 -1.924 -6.449 8.087 1.00 62.22 H new ATOM 0 HG3 PRO A 81 -2.247 -8.069 8.672 1.00 62.22 H new ATOM 0 HD2 PRO A 81 -1.743 -7.485 6.027 1.00 22.11 H new ATOM 0 HD3 PRO A 81 -2.652 -8.890 6.545 1.00 22.11 H new ATOM 1305 N PHE A 82 -3.893 -4.461 5.746 1.00 3.13 N ATOM 1306 CA PHE A 82 -3.865 -3.022 5.489 1.00 74.41 C ATOM 1307 C PHE A 82 -5.087 -2.563 4.678 1.00 31.14 C ATOM 1308 O PHE A 82 -5.589 -1.458 4.900 1.00 13.22 O ATOM 1309 CB PHE A 82 -2.526 -2.530 4.851 1.00 54.21 C ATOM 1310 CG PHE A 82 -2.039 -3.150 3.544 1.00 3.43 C ATOM 1311 CD1 PHE A 82 -2.789 -3.111 2.390 1.00 61.41 C ATOM 1312 CD2 PHE A 82 -0.787 -3.737 3.474 1.00 34.10 C ATOM 1313 CE1 PHE A 82 -2.322 -3.640 1.214 1.00 10.43 C ATOM 1314 CE2 PHE A 82 -0.308 -4.262 2.300 1.00 70.04 C ATOM 1315 CZ PHE A 82 -1.078 -4.217 1.169 1.00 3.22 C ATOM 0 H PHE A 82 -3.401 -5.035 5.061 1.00 3.13 H new ATOM 0 HA PHE A 82 -3.920 -2.545 6.467 1.00 74.41 H new ATOM 0 HB2 PHE A 82 -2.618 -1.456 4.688 1.00 54.21 H new ATOM 0 HB3 PHE A 82 -1.740 -2.673 5.592 1.00 54.21 H new ATOM 0 HD1 PHE A 82 -3.767 -2.654 2.411 1.00 61.41 H new ATOM 0 HD2 PHE A 82 -0.174 -3.783 4.362 1.00 34.10 H new ATOM 0 HE1 PHE A 82 -2.933 -3.602 0.324 1.00 10.43 H new ATOM 0 HE2 PHE A 82 0.674 -4.710 2.268 1.00 70.04 H new ATOM 0 HZ PHE A 82 -0.707 -4.634 0.244 1.00 3.22 H new ATOM 1325 N ASN A 83 -5.574 -3.461 3.785 1.00 61.32 N ATOM 1326 CA ASN A 83 -6.687 -3.198 2.836 1.00 11.43 C ATOM 1327 C ASN A 83 -6.455 -1.923 2.003 1.00 74.42 C ATOM 1328 O ASN A 83 -7.109 -0.901 2.239 1.00 70.31 O ATOM 1329 CB ASN A 83 -8.051 -3.137 3.557 1.00 61.14 C ATOM 1330 CG ASN A 83 -8.565 -4.500 4.000 1.00 15.14 C ATOM 1331 OD1 ASN A 83 -7.800 -5.396 4.346 1.00 42.42 O ATOM 1332 ND2 ASN A 83 -9.880 -4.667 3.994 1.00 13.32 N ATOM 0 H ASN A 83 -5.198 -4.405 3.702 1.00 61.32 H new ATOM 0 HA ASN A 83 -6.707 -4.041 2.146 1.00 11.43 H new ATOM 0 HB2 ASN A 83 -7.963 -2.489 4.429 1.00 61.14 H new ATOM 0 HB3 ASN A 83 -8.784 -2.679 2.893 1.00 61.14 H new ATOM 0 HD21 ASN A 83 -10.282 -5.559 4.282 1.00 13.32 H new ATOM 0 HD22 ASN A 83 -10.490 -3.904 3.701 1.00 13.32 H new ATOM 1339 N ALA A 84 -5.486 -2.011 1.054 1.00 51.14 N ATOM 1340 CA ALA A 84 -5.040 -0.894 0.186 1.00 35.24 C ATOM 1341 C ALA A 84 -4.411 0.271 0.983 1.00 62.53 C ATOM 1342 O ALA A 84 -4.143 0.137 2.179 1.00 63.14 O ATOM 1343 CB ALA A 84 -6.175 -0.409 -0.714 1.00 12.42 C ATOM 0 H ALA A 84 -4.984 -2.879 0.869 1.00 51.14 H new ATOM 0 HA ALA A 84 -4.248 -1.290 -0.450 1.00 35.24 H new ATOM 0 HB1 ALA A 84 -5.819 0.410 -1.339 1.00 12.42 H new ATOM 0 HB2 ALA A 84 -6.512 -1.229 -1.348 1.00 12.42 H new ATOM 0 HB3 ALA A 84 -7.004 -0.061 -0.098 1.00 12.42 H new ATOM 1349 N ARG A 85 -4.107 1.380 0.293 1.00 22.34 N ATOM 1350 CA ARG A 85 -3.560 2.575 0.939 1.00 41.13 C ATOM 1351 C ARG A 85 -4.662 3.379 1.626 1.00 4.31 C ATOM 1352 O ARG A 85 -4.703 3.475 2.853 1.00 30.14 O ATOM 1353 CB ARG A 85 -2.855 3.485 -0.086 1.00 61.24 C ATOM 1354 CG ARG A 85 -1.373 3.229 -0.318 1.00 33.35 C ATOM 1355 CD ARG A 85 -0.520 3.598 0.892 1.00 34.40 C ATOM 1356 NE ARG A 85 0.887 3.831 0.517 1.00 21.10 N ATOM 1357 CZ ARG A 85 1.790 4.479 1.279 1.00 12.02 C ATOM 1358 NH1 ARG A 85 1.453 4.956 2.474 1.00 63.41 N ATOM 1359 NH2 ARG A 85 3.025 4.682 0.819 1.00 0.41 N ATOM 0 H ARG A 85 -4.232 1.471 -0.715 1.00 22.34 H new ATOM 0 HA ARG A 85 -2.838 2.235 1.682 1.00 41.13 H new ATOM 0 HB2 ARG A 85 -3.371 3.387 -1.041 1.00 61.24 H new ATOM 0 HB3 ARG A 85 -2.976 4.519 0.237 1.00 61.24 H new ATOM 0 HG2 ARG A 85 -1.223 2.176 -0.557 1.00 33.35 H new ATOM 0 HG3 ARG A 85 -1.039 3.803 -1.182 1.00 33.35 H new ATOM 0 HD2 ARG A 85 -0.924 4.494 1.363 1.00 34.40 H new ATOM 0 HD3 ARG A 85 -0.572 2.799 1.631 1.00 34.40 H new ATOM 0 HE ARG A 85 1.200 3.475 -0.386 1.00 21.10 H new ATOM 0 HH11 ARG A 85 0.502 4.833 2.823 1.00 63.41 H new ATOM 0 HH12 ARG A 85 2.145 5.445 3.042 1.00 63.41 H new ATOM 0 HH21 ARG A 85 3.285 4.347 -0.109 1.00 0.41 H new ATOM 0 HH22 ARG A 85 3.709 5.172 1.395 1.00 0.41 H new ATOM 1373 N GLU A 86 -5.545 3.960 0.811 1.00 42.32 N ATOM 1374 CA GLU A 86 -6.586 4.861 1.290 1.00 5.11 C ATOM 1375 C GLU A 86 -7.941 4.466 0.699 1.00 34.23 C ATOM 1376 O GLU A 86 -8.218 4.829 -0.471 1.00 63.03 O ATOM 1377 CB GLU A 86 -6.231 6.306 0.909 1.00 12.12 C ATOM 1378 CG GLU A 86 -4.996 6.851 1.619 1.00 54.41 C ATOM 1379 CD GLU A 86 -4.429 8.081 0.944 1.00 74.42 C ATOM 1380 OE1 GLU A 86 -4.875 9.202 1.263 1.00 35.11 O ATOM 1381 OE2 GLU A 86 -3.527 7.925 0.085 1.00 25.12 O ATOM 1382 OXT GLU A 86 -8.716 3.785 1.400 1.00 37.78 O ATOM 0 H GLU A 86 -5.555 3.817 -0.199 1.00 42.32 H new ATOM 0 HA GLU A 86 -6.653 4.788 2.375 1.00 5.11 H new ATOM 0 HB2 GLU A 86 -6.070 6.358 -0.168 1.00 12.12 H new ATOM 0 HB3 GLU A 86 -7.081 6.950 1.136 1.00 12.12 H new ATOM 0 HG2 GLU A 86 -5.252 7.093 2.650 1.00 54.41 H new ATOM 0 HG3 GLU A 86 -4.231 6.076 1.654 1.00 54.41 H new TER 1389 GLU A 86