USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 994 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 1.14 (180deg=0.0779) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= 0.853 (180deg=0.483) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0.359 (180deg=0.331) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.094) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -1.21 (180deg=-3.56!) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0898 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 24 GLN : amide:sc=-0.00904 K(o=-0.009,f=-0.81) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0.995 (180deg=0.901) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0.665 (180deg=0.657) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 1.73 (180deg=-0.142) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 165:sc= -0.695 (180deg=-1.41) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0118) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 0.719 (180deg=0.507) USER MOD Single : A 64 HIS : no HE2:sc= -0.228 X(o=-0.23,f=-0.52) USER MOD Single : A 65 SER OG : rot -107:sc= 0.224 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0157) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -0.0112 (180deg=-0.1) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0605) USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= -0.125 (180deg=-1.85!) USER MOD Single : A 82 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.5!) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0156) USER MOD Single : A 90 TYR OH : rot -175:sc= 0.964 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.89 K(o=-1.9,f=-4.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 150:sc= -0.0231 USER MOD Single : A 103 THR OG1 : rot 114:sc= 0.214 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.61) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.0211 K(o=0.021,f=-2.1) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.460 -2.492 2.049 1.00 55.11 N ATOM 2 CA MET A 1 21.770 -3.672 1.215 1.00 20.33 C ATOM 3 C MET A 1 21.088 -3.508 -0.149 1.00 22.32 C ATOM 4 O MET A 1 20.204 -2.661 -0.301 1.00 71.11 O ATOM 5 CB MET A 1 21.302 -4.984 1.907 1.00 33.02 C ATOM 6 CG MET A 1 21.845 -5.199 3.332 1.00 52.21 C ATOM 7 SD MET A 1 21.170 -4.015 4.527 1.00 54.42 S ATOM 8 CE MET A 1 21.885 -4.576 6.077 1.00 32.54 C ATOM 0 H1 MET A 1 22.337 -1.973 2.256 1.00 55.11 H new ATOM 0 H2 MET A 1 20.802 -1.869 1.538 1.00 55.11 H new ATOM 0 H3 MET A 1 21.022 -2.802 2.940 1.00 55.11 H new ATOM 0 HA MET A 1 22.849 -3.742 1.079 1.00 20.33 H new ATOM 0 HB2 MET A 1 20.213 -4.988 1.945 1.00 33.02 H new ATOM 0 HB3 MET A 1 21.602 -5.830 1.289 1.00 33.02 H new ATOM 0 HG2 MET A 1 21.608 -6.212 3.657 1.00 52.21 H new ATOM 0 HG3 MET A 1 22.932 -5.115 3.318 1.00 52.21 H new ATOM 0 HE1 MET A 1 21.547 -3.931 6.888 1.00 32.54 H new ATOM 0 HE2 MET A 1 21.570 -5.601 6.273 1.00 32.54 H new ATOM 0 HE3 MET A 1 22.972 -4.537 6.011 1.00 32.54 H new ATOM 20 N SER A 2 21.504 -4.321 -1.140 1.00 25.11 N ATOM 21 CA SER A 2 20.919 -4.313 -2.500 1.00 43.31 C ATOM 22 C SER A 2 19.565 -5.051 -2.491 1.00 71.22 C ATOM 23 O SER A 2 19.429 -6.172 -3.003 1.00 75.30 O ATOM 24 CB SER A 2 21.922 -4.942 -3.499 1.00 73.21 C ATOM 25 OG SER A 2 23.194 -4.313 -3.401 1.00 62.42 O ATOM 0 H SER A 2 22.254 -5.002 -1.023 1.00 25.11 H new ATOM 0 HA SER A 2 20.730 -3.289 -2.822 1.00 43.31 H new ATOM 0 HB2 SER A 2 22.022 -6.009 -3.298 1.00 73.21 H new ATOM 0 HB3 SER A 2 21.540 -4.844 -4.515 1.00 73.21 H new ATOM 0 HG SER A 2 23.813 -4.726 -4.039 1.00 62.42 H new ATOM 31 N GLY A 3 18.577 -4.406 -1.854 1.00 73.42 N ATOM 32 CA GLY A 3 17.281 -5.012 -1.579 1.00 2.52 C ATOM 33 C GLY A 3 16.845 -4.819 -0.138 1.00 52.40 C ATOM 34 O GLY A 3 17.677 -4.561 0.745 1.00 41.12 O ATOM 0 H GLY A 3 18.662 -3.447 -1.517 1.00 73.42 H new ATOM 0 HA2 GLY A 3 16.533 -4.579 -2.243 1.00 2.52 H new ATOM 0 HA3 GLY A 3 17.327 -6.078 -1.802 1.00 2.52 H new ATOM 38 N LYS A 4 15.528 -4.959 0.101 1.00 55.04 N ATOM 39 CA LYS A 4 14.934 -4.850 1.443 1.00 4.12 C ATOM 40 C LYS A 4 13.758 -5.816 1.593 1.00 44.53 C ATOM 41 O LYS A 4 13.076 -6.158 0.610 1.00 44.33 O ATOM 42 CB LYS A 4 14.451 -3.399 1.771 1.00 74.14 C ATOM 43 CG LYS A 4 13.326 -2.821 0.854 1.00 1.04 C ATOM 44 CD LYS A 4 13.855 -2.217 -0.473 1.00 74.42 C ATOM 45 CE LYS A 4 14.755 -0.993 -0.227 1.00 5.41 C ATOM 46 NZ LYS A 4 15.278 -0.411 -1.492 1.00 71.51 N ATOM 0 H LYS A 4 14.846 -5.151 -0.633 1.00 55.04 H new ATOM 0 HA LYS A 4 15.722 -5.110 2.149 1.00 4.12 H new ATOM 0 HB2 LYS A 4 14.096 -3.381 2.801 1.00 74.14 H new ATOM 0 HB3 LYS A 4 15.311 -2.732 1.719 1.00 74.14 H new ATOM 0 HG2 LYS A 4 12.613 -3.613 0.624 1.00 1.04 H new ATOM 0 HG3 LYS A 4 12.782 -2.052 1.402 1.00 1.04 H new ATOM 0 HD2 LYS A 4 14.415 -2.976 -1.019 1.00 74.42 H new ATOM 0 HD3 LYS A 4 13.013 -1.928 -1.102 1.00 74.42 H new ATOM 0 HE2 LYS A 4 14.191 -0.233 0.313 1.00 5.41 H new ATOM 0 HE3 LYS A 4 15.591 -1.282 0.410 1.00 5.41 H new ATOM 0 HZ1 LYS A 4 15.326 0.624 -1.404 1.00 71.51 H new ATOM 0 HZ2 LYS A 4 16.229 -0.787 -1.680 1.00 71.51 H new ATOM 0 HZ3 LYS A 4 14.645 -0.662 -2.278 1.00 71.51 H new ATOM 60 N LYS A 5 13.552 -6.269 2.837 1.00 75.11 N ATOM 61 CA LYS A 5 12.341 -6.973 3.248 1.00 74.22 C ATOM 62 C LYS A 5 11.427 -5.931 3.899 1.00 75.11 C ATOM 63 O LYS A 5 11.658 -5.497 5.036 1.00 40.14 O ATOM 64 CB LYS A 5 12.710 -8.152 4.201 1.00 72.25 C ATOM 65 CG LYS A 5 11.550 -9.117 4.603 1.00 12.32 C ATOM 66 CD LYS A 5 10.747 -8.668 5.852 1.00 24.14 C ATOM 67 CE LYS A 5 11.638 -8.514 7.104 1.00 4.40 C ATOM 68 NZ LYS A 5 10.840 -8.217 8.328 1.00 41.35 N ATOM 0 H LYS A 5 14.231 -6.153 3.590 1.00 75.11 H new ATOM 0 HA LYS A 5 11.818 -7.427 2.407 1.00 74.22 H new ATOM 0 HB2 LYS A 5 13.494 -8.742 3.726 1.00 72.25 H new ATOM 0 HB3 LYS A 5 13.135 -7.732 5.113 1.00 72.25 H new ATOM 0 HG2 LYS A 5 10.865 -9.213 3.761 1.00 12.32 H new ATOM 0 HG3 LYS A 5 11.966 -10.107 4.790 1.00 12.32 H new ATOM 0 HD2 LYS A 5 10.255 -7.719 5.641 1.00 24.14 H new ATOM 0 HD3 LYS A 5 9.962 -9.396 6.056 1.00 24.14 H new ATOM 0 HE2 LYS A 5 12.208 -9.430 7.257 1.00 4.40 H new ATOM 0 HE3 LYS A 5 12.359 -7.713 6.939 1.00 4.40 H new ATOM 0 HZ1 LYS A 5 11.476 -8.138 9.147 1.00 41.35 H new ATOM 0 HZ2 LYS A 5 10.328 -7.321 8.200 1.00 41.35 H new ATOM 0 HZ3 LYS A 5 10.158 -8.985 8.492 1.00 41.35 H new ATOM 82 N VAL A 6 10.433 -5.497 3.134 1.00 5.03 N ATOM 83 CA VAL A 6 9.460 -4.483 3.547 1.00 61.21 C ATOM 84 C VAL A 6 8.167 -5.190 3.977 1.00 12.13 C ATOM 85 O VAL A 6 7.695 -6.113 3.303 1.00 30.05 O ATOM 86 CB VAL A 6 9.173 -3.427 2.394 1.00 63.21 C ATOM 87 CG1 VAL A 6 9.079 -4.097 1.007 1.00 21.02 C ATOM 88 CG2 VAL A 6 7.893 -2.609 2.676 1.00 43.40 C ATOM 0 H VAL A 6 10.274 -5.845 2.188 1.00 5.03 H new ATOM 0 HA VAL A 6 9.873 -3.920 4.384 1.00 61.21 H new ATOM 0 HB VAL A 6 10.023 -2.745 2.383 1.00 63.21 H new ATOM 0 HG11 VAL A 6 8.882 -3.339 0.249 1.00 21.02 H new ATOM 0 HG12 VAL A 6 10.019 -4.600 0.781 1.00 21.02 H new ATOM 0 HG13 VAL A 6 8.269 -4.826 1.009 1.00 21.02 H new ATOM 0 HG21 VAL A 6 7.730 -1.898 1.866 1.00 43.40 H new ATOM 0 HG22 VAL A 6 7.039 -3.282 2.745 1.00 43.40 H new ATOM 0 HG23 VAL A 6 8.006 -2.069 3.616 1.00 43.40 H new ATOM 98 N GLU A 7 7.620 -4.759 5.116 1.00 74.52 N ATOM 99 CA GLU A 7 6.340 -5.254 5.630 1.00 61.44 C ATOM 100 C GLU A 7 5.289 -4.162 5.417 1.00 70.42 C ATOM 101 O GLU A 7 5.370 -3.073 6.002 1.00 51.20 O ATOM 102 CB GLU A 7 6.463 -5.650 7.120 1.00 13.12 C ATOM 103 CG GLU A 7 7.508 -6.758 7.362 1.00 13.01 C ATOM 104 CD GLU A 7 7.809 -6.985 8.845 1.00 40.32 C ATOM 105 OE1 GLU A 7 7.024 -7.673 9.523 1.00 34.04 O ATOM 106 OE2 GLU A 7 8.842 -6.486 9.337 1.00 45.54 O ATOM 0 H GLU A 7 8.054 -4.053 5.711 1.00 74.52 H new ATOM 0 HA GLU A 7 6.039 -6.154 5.094 1.00 61.44 H new ATOM 0 HB2 GLU A 7 6.732 -4.770 7.704 1.00 13.12 H new ATOM 0 HB3 GLU A 7 5.492 -5.988 7.482 1.00 13.12 H new ATOM 0 HG2 GLU A 7 7.150 -7.689 6.923 1.00 13.01 H new ATOM 0 HG3 GLU A 7 8.432 -6.497 6.846 1.00 13.01 H new ATOM 113 N VAL A 8 4.333 -4.469 4.542 1.00 41.30 N ATOM 114 CA VAL A 8 3.272 -3.559 4.129 1.00 65.34 C ATOM 115 C VAL A 8 2.023 -3.868 4.958 1.00 64.41 C ATOM 116 O VAL A 8 1.390 -4.908 4.775 1.00 62.35 O ATOM 117 CB VAL A 8 2.998 -3.733 2.585 1.00 62.35 C ATOM 118 CG1 VAL A 8 1.867 -2.810 2.079 1.00 54.24 C ATOM 119 CG2 VAL A 8 4.304 -3.512 1.784 1.00 65.34 C ATOM 0 H VAL A 8 4.276 -5.382 4.090 1.00 41.30 H new ATOM 0 HA VAL A 8 3.562 -2.522 4.299 1.00 65.34 H new ATOM 0 HB VAL A 8 2.655 -4.755 2.424 1.00 62.35 H new ATOM 0 HG11 VAL A 8 1.718 -2.969 1.011 1.00 54.24 H new ATOM 0 HG12 VAL A 8 0.944 -3.039 2.612 1.00 54.24 H new ATOM 0 HG13 VAL A 8 2.139 -1.770 2.257 1.00 54.24 H new ATOM 0 HG21 VAL A 8 4.103 -3.635 0.720 1.00 65.34 H new ATOM 0 HG22 VAL A 8 4.678 -2.505 1.969 1.00 65.34 H new ATOM 0 HG23 VAL A 8 5.051 -4.240 2.098 1.00 65.34 H new ATOM 129 N GLN A 9 1.695 -2.973 5.893 1.00 33.44 N ATOM 130 CA GLN A 9 0.561 -3.152 6.802 1.00 4.32 C ATOM 131 C GLN A 9 -0.639 -2.429 6.180 1.00 52.01 C ATOM 132 O GLN A 9 -0.736 -1.203 6.253 1.00 74.12 O ATOM 133 CB GLN A 9 0.924 -2.575 8.202 1.00 25.22 C ATOM 134 CG GLN A 9 2.167 -3.230 8.847 1.00 24.42 C ATOM 135 CD GLN A 9 2.620 -2.537 10.139 1.00 20.22 C ATOM 136 OE1 GLN A 9 2.172 -2.872 11.237 1.00 25.11 O ATOM 137 NE2 GLN A 9 3.513 -1.564 10.015 1.00 24.12 N ATOM 0 H GLN A 9 2.208 -2.104 6.041 1.00 33.44 H new ATOM 0 HA GLN A 9 0.316 -4.205 6.941 1.00 4.32 H new ATOM 0 HB2 GLN A 9 1.098 -1.503 8.108 1.00 25.22 H new ATOM 0 HB3 GLN A 9 0.071 -2.702 8.869 1.00 25.22 H new ATOM 0 HG2 GLN A 9 1.947 -4.276 9.062 1.00 24.42 H new ATOM 0 HG3 GLN A 9 2.988 -3.218 8.130 1.00 24.42 H new ATOM 0 HE21 GLN A 9 3.865 -1.310 9.092 1.00 24.12 H new ATOM 0 HE22 GLN A 9 3.848 -1.070 10.842 1.00 24.12 H new ATOM 146 N VAL A 10 -1.518 -3.205 5.526 1.00 74.12 N ATOM 147 CA VAL A 10 -2.702 -2.682 4.828 1.00 44.01 C ATOM 148 C VAL A 10 -3.892 -2.762 5.785 1.00 11.55 C ATOM 149 O VAL A 10 -4.421 -3.850 6.042 1.00 31.34 O ATOM 150 CB VAL A 10 -2.990 -3.485 3.496 1.00 23.21 C ATOM 151 CG1 VAL A 10 -4.290 -3.009 2.795 1.00 62.04 C ATOM 152 CG2 VAL A 10 -1.780 -3.387 2.539 1.00 4.02 C ATOM 0 H VAL A 10 -1.426 -4.219 5.467 1.00 74.12 H new ATOM 0 HA VAL A 10 -2.527 -1.647 4.536 1.00 44.01 H new ATOM 0 HB VAL A 10 -3.141 -4.530 3.768 1.00 23.21 H new ATOM 0 HG11 VAL A 10 -4.446 -3.589 1.885 1.00 62.04 H new ATOM 0 HG12 VAL A 10 -5.138 -3.150 3.466 1.00 62.04 H new ATOM 0 HG13 VAL A 10 -4.201 -1.953 2.541 1.00 62.04 H new ATOM 0 HG21 VAL A 10 -1.992 -3.944 1.626 1.00 4.02 H new ATOM 0 HG22 VAL A 10 -1.596 -2.342 2.291 1.00 4.02 H new ATOM 0 HG23 VAL A 10 -0.898 -3.806 3.023 1.00 4.02 H new ATOM 162 N LYS A 11 -4.264 -1.608 6.346 1.00 42.53 N ATOM 163 CA LYS A 11 -5.337 -1.498 7.334 1.00 4.44 C ATOM 164 C LYS A 11 -6.465 -0.661 6.709 1.00 41.14 C ATOM 165 O LYS A 11 -6.380 0.564 6.652 1.00 2.24 O ATOM 166 CB LYS A 11 -4.731 -0.849 8.618 1.00 62.32 C ATOM 167 CG LYS A 11 -5.665 -0.821 9.850 1.00 21.33 C ATOM 168 CD LYS A 11 -4.920 -0.508 11.178 1.00 52.02 C ATOM 169 CE LYS A 11 -3.834 -1.552 11.513 1.00 75.24 C ATOM 170 NZ LYS A 11 -3.219 -1.332 12.852 1.00 35.44 N ATOM 0 H LYS A 11 -3.823 -0.716 6.124 1.00 42.53 H new ATOM 0 HA LYS A 11 -5.760 -2.462 7.617 1.00 4.44 H new ATOM 0 HB2 LYS A 11 -3.823 -1.390 8.884 1.00 62.32 H new ATOM 0 HB3 LYS A 11 -4.436 0.174 8.383 1.00 62.32 H new ATOM 0 HG2 LYS A 11 -6.442 -0.073 9.692 1.00 21.33 H new ATOM 0 HG3 LYS A 11 -6.165 -1.785 9.940 1.00 21.33 H new ATOM 0 HD2 LYS A 11 -4.461 0.478 11.108 1.00 52.02 H new ATOM 0 HD3 LYS A 11 -5.642 -0.466 11.994 1.00 52.02 H new ATOM 0 HE2 LYS A 11 -4.272 -2.550 11.478 1.00 75.24 H new ATOM 0 HE3 LYS A 11 -3.056 -1.519 10.750 1.00 75.24 H new ATOM 0 HZ1 LYS A 11 -2.497 -2.060 13.026 1.00 35.44 H new ATOM 0 HZ2 LYS A 11 -2.776 -0.391 12.880 1.00 35.44 H new ATOM 0 HZ3 LYS A 11 -3.954 -1.391 13.585 1.00 35.44 H new ATOM 184 N ILE A 12 -7.520 -1.343 6.237 1.00 14.51 N ATOM 185 CA ILE A 12 -8.587 -0.727 5.417 1.00 1.24 C ATOM 186 C ILE A 12 -9.932 -0.785 6.158 1.00 14.25 C ATOM 187 O ILE A 12 -10.361 -1.851 6.593 1.00 72.12 O ATOM 188 CB ILE A 12 -8.694 -1.427 3.994 1.00 12.11 C ATOM 189 CG1 ILE A 12 -9.863 -0.820 3.147 1.00 14.52 C ATOM 190 CG2 ILE A 12 -8.826 -2.971 4.105 1.00 74.42 C ATOM 191 CD1 ILE A 12 -9.987 -1.377 1.733 1.00 74.53 C ATOM 0 H ILE A 12 -7.662 -2.338 6.411 1.00 14.51 H new ATOM 0 HA ILE A 12 -8.328 0.319 5.252 1.00 1.24 H new ATOM 0 HB ILE A 12 -7.759 -1.224 3.473 1.00 12.11 H new ATOM 0 HG12 ILE A 12 -10.802 -0.993 3.674 1.00 14.52 H new ATOM 0 HG13 ILE A 12 -9.726 0.260 3.086 1.00 14.52 H new ATOM 0 HG21 ILE A 12 -8.896 -3.403 3.107 1.00 74.42 H new ATOM 0 HG22 ILE A 12 -7.951 -3.375 4.615 1.00 74.42 H new ATOM 0 HG23 ILE A 12 -9.723 -3.220 4.672 1.00 74.42 H new ATOM 0 HD11 ILE A 12 -10.823 -0.897 1.225 1.00 74.53 H new ATOM 0 HD12 ILE A 12 -9.067 -1.181 1.183 1.00 74.53 H new ATOM 0 HD13 ILE A 12 -10.160 -2.452 1.779 1.00 74.53 H new ATOM 203 N THR A 13 -10.589 0.374 6.314 1.00 72.42 N ATOM 204 CA THR A 13 -11.912 0.447 6.944 1.00 23.13 C ATOM 205 C THR A 13 -13.017 0.344 5.865 1.00 22.00 C ATOM 206 O THR A 13 -13.050 1.135 4.909 1.00 23.32 O ATOM 207 CB THR A 13 -12.069 1.753 7.784 1.00 25.14 C ATOM 208 OG1 THR A 13 -11.002 1.834 8.751 1.00 62.20 O ATOM 209 CG2 THR A 13 -13.415 1.803 8.534 1.00 33.30 C ATOM 0 H THR A 13 -10.222 1.276 6.010 1.00 72.42 H new ATOM 0 HA THR A 13 -12.014 -0.394 7.630 1.00 23.13 H new ATOM 0 HB THR A 13 -12.032 2.592 7.090 1.00 25.14 H new ATOM 0 HG1 THR A 13 -11.099 2.655 9.277 1.00 62.20 H new ATOM 0 HG21 THR A 13 -13.479 2.729 9.105 1.00 33.30 H new ATOM 0 HG22 THR A 13 -14.234 1.762 7.815 1.00 33.30 H new ATOM 0 HG23 THR A 13 -13.485 0.953 9.213 1.00 33.30 H new ATOM 217 N CYS A 14 -13.882 -0.661 6.038 1.00 52.44 N ATOM 218 CA CYS A 14 -15.004 -0.986 5.142 1.00 3.11 C ATOM 219 C CYS A 14 -16.071 -1.754 5.947 1.00 33.51 C ATOM 220 O CYS A 14 -15.726 -2.438 6.910 1.00 5.01 O ATOM 221 CB CYS A 14 -14.489 -1.844 3.962 1.00 33.50 C ATOM 222 SG CYS A 14 -15.777 -2.583 2.904 1.00 41.12 S ATOM 0 H CYS A 14 -13.820 -1.296 6.834 1.00 52.44 H new ATOM 0 HA CYS A 14 -15.445 -0.075 4.739 1.00 3.11 H new ATOM 0 HB2 CYS A 14 -13.844 -1.224 3.339 1.00 33.50 H new ATOM 0 HB3 CYS A 14 -13.869 -2.646 4.363 1.00 33.50 H new ATOM 227 N ASN A 15 -17.370 -1.582 5.593 1.00 12.41 N ATOM 228 CA ASN A 15 -18.506 -2.343 6.207 1.00 14.34 C ATOM 229 C ASN A 15 -18.689 -1.946 7.710 1.00 10.40 C ATOM 230 O ASN A 15 -19.351 -2.644 8.495 1.00 40.42 O ATOM 231 CB ASN A 15 -18.277 -3.884 5.985 1.00 24.14 C ATOM 232 CG ASN A 15 -19.425 -4.807 6.428 1.00 32.43 C ATOM 233 OD1 ASN A 15 -20.388 -5.021 5.690 1.00 54.03 O ATOM 234 ND2 ASN A 15 -19.304 -5.397 7.614 1.00 53.55 N ATOM 0 H ASN A 15 -17.666 -0.917 4.878 1.00 12.41 H new ATOM 0 HA ASN A 15 -19.445 -2.083 5.718 1.00 14.34 H new ATOM 0 HB2 ASN A 15 -18.089 -4.054 4.925 1.00 24.14 H new ATOM 0 HB3 ASN A 15 -17.374 -4.178 6.520 1.00 24.14 H new ATOM 0 HD21 ASN A 15 -20.021 -6.048 7.935 1.00 53.55 H new ATOM 0 HD22 ASN A 15 -18.494 -5.199 8.202 1.00 53.55 H new ATOM 241 N GLY A 16 -18.113 -0.773 8.079 1.00 73.14 N ATOM 242 CA GLY A 16 -18.120 -0.268 9.459 1.00 23.44 C ATOM 243 C GLY A 16 -17.070 -0.923 10.355 1.00 22.03 C ATOM 244 O GLY A 16 -17.050 -0.683 11.564 1.00 11.40 O ATOM 0 H GLY A 16 -17.633 -0.158 7.422 1.00 73.14 H new ATOM 0 HA2 GLY A 16 -17.952 0.809 9.444 1.00 23.44 H new ATOM 0 HA3 GLY A 16 -19.107 -0.431 9.892 1.00 23.44 H new ATOM 248 N LYS A 17 -16.194 -1.746 9.756 1.00 62.13 N ATOM 249 CA LYS A 17 -15.127 -2.484 10.469 1.00 72.24 C ATOM 250 C LYS A 17 -13.759 -2.178 9.848 1.00 24.33 C ATOM 251 O LYS A 17 -13.688 -1.593 8.774 1.00 40.01 O ATOM 252 CB LYS A 17 -15.415 -4.010 10.415 1.00 14.10 C ATOM 253 CG LYS A 17 -16.775 -4.418 11.029 1.00 4.12 C ATOM 254 CD LYS A 17 -16.994 -5.950 11.134 1.00 51.11 C ATOM 255 CE LYS A 17 -16.105 -6.640 12.193 1.00 2.44 C ATOM 256 NZ LYS A 17 -14.672 -6.728 11.802 1.00 35.11 N ATOM 0 H LYS A 17 -16.203 -1.923 8.751 1.00 62.13 H new ATOM 0 HA LYS A 17 -15.111 -2.163 11.511 1.00 72.24 H new ATOM 0 HB2 LYS A 17 -15.385 -4.338 9.376 1.00 14.10 H new ATOM 0 HB3 LYS A 17 -14.619 -4.538 10.940 1.00 14.10 H new ATOM 0 HG2 LYS A 17 -16.856 -3.982 12.025 1.00 4.12 H new ATOM 0 HG3 LYS A 17 -17.576 -3.989 10.427 1.00 4.12 H new ATOM 0 HD2 LYS A 17 -18.040 -6.142 11.372 1.00 51.11 H new ATOM 0 HD3 LYS A 17 -16.800 -6.402 10.161 1.00 51.11 H new ATOM 0 HE2 LYS A 17 -16.184 -6.094 13.133 1.00 2.44 H new ATOM 0 HE3 LYS A 17 -16.486 -7.645 12.376 1.00 2.44 H new ATOM 0 HZ1 LYS A 17 -14.309 -7.677 12.025 1.00 35.11 H new ATOM 0 HZ2 LYS A 17 -14.579 -6.553 10.781 1.00 35.11 H new ATOM 0 HZ3 LYS A 17 -14.125 -6.016 12.327 1.00 35.11 H new ATOM 270 N THR A 18 -12.673 -2.595 10.521 1.00 54.15 N ATOM 271 CA THR A 18 -11.296 -2.335 10.053 1.00 72.34 C ATOM 272 C THR A 18 -10.556 -3.674 9.822 1.00 5.42 C ATOM 273 O THR A 18 -10.309 -4.432 10.767 1.00 13.34 O ATOM 274 CB THR A 18 -10.523 -1.442 11.085 1.00 71.42 C ATOM 275 OG1 THR A 18 -11.316 -0.282 11.412 1.00 65.12 O ATOM 276 CG2 THR A 18 -9.159 -0.980 10.543 1.00 34.13 C ATOM 0 H THR A 18 -12.721 -3.117 11.396 1.00 54.15 H new ATOM 0 HA THR A 18 -11.341 -1.794 9.108 1.00 72.34 H new ATOM 0 HB THR A 18 -10.346 -2.048 11.973 1.00 71.42 H new ATOM 0 HG1 THR A 18 -10.832 0.274 12.058 1.00 65.12 H new ATOM 0 HG21 THR A 18 -8.660 -0.365 11.291 1.00 34.13 H new ATOM 0 HG22 THR A 18 -8.543 -1.851 10.319 1.00 34.13 H new ATOM 0 HG23 THR A 18 -9.307 -0.397 9.634 1.00 34.13 H new ATOM 284 N TYR A 19 -10.208 -3.941 8.557 1.00 75.33 N ATOM 285 CA TYR A 19 -9.586 -5.196 8.106 1.00 24.13 C ATOM 286 C TYR A 19 -8.085 -4.948 7.847 1.00 31.00 C ATOM 287 O TYR A 19 -7.717 -4.357 6.824 1.00 11.33 O ATOM 288 CB TYR A 19 -10.277 -5.692 6.800 1.00 44.25 C ATOM 289 CG TYR A 19 -11.806 -5.812 6.883 1.00 20.52 C ATOM 290 CD1 TYR A 19 -12.419 -6.931 7.453 1.00 74.35 C ATOM 291 CD2 TYR A 19 -12.634 -4.804 6.385 1.00 70.24 C ATOM 292 CE1 TYR A 19 -13.797 -7.036 7.521 1.00 24.00 C ATOM 293 CE2 TYR A 19 -14.004 -4.909 6.453 1.00 3.31 C ATOM 294 CZ TYR A 19 -14.584 -6.020 7.020 1.00 12.43 C ATOM 295 OH TYR A 19 -15.959 -6.119 7.082 1.00 62.32 O ATOM 0 H TYR A 19 -10.354 -3.275 7.799 1.00 75.33 H new ATOM 0 HA TYR A 19 -9.703 -5.960 8.874 1.00 24.13 H new ATOM 0 HB2 TYR A 19 -10.024 -5.008 5.990 1.00 44.25 H new ATOM 0 HB3 TYR A 19 -9.865 -6.666 6.535 1.00 44.25 H new ATOM 0 HD1 TYR A 19 -11.806 -7.728 7.847 1.00 74.35 H new ATOM 0 HD2 TYR A 19 -12.191 -3.926 5.938 1.00 70.24 H new ATOM 0 HE1 TYR A 19 -14.254 -7.909 7.964 1.00 24.00 H new ATOM 0 HE2 TYR A 19 -14.625 -4.118 6.060 1.00 3.31 H new ATOM 0 HH TYR A 19 -16.214 -6.650 7.865 1.00 62.32 H new ATOM 305 N GLU A 20 -7.225 -5.384 8.774 1.00 44.32 N ATOM 306 CA GLU A 20 -5.762 -5.199 8.661 1.00 51.22 C ATOM 307 C GLU A 20 -5.062 -6.512 8.294 1.00 11.24 C ATOM 308 O GLU A 20 -5.655 -7.591 8.432 1.00 71.22 O ATOM 309 CB GLU A 20 -5.202 -4.579 9.973 1.00 32.44 C ATOM 310 CG GLU A 20 -5.479 -5.349 11.292 1.00 64.32 C ATOM 311 CD GLU A 20 -4.464 -6.469 11.602 1.00 75.44 C ATOM 312 OE1 GLU A 20 -3.345 -6.152 12.065 1.00 0.53 O ATOM 313 OE2 GLU A 20 -4.774 -7.664 11.385 1.00 62.00 O ATOM 0 H GLU A 20 -7.514 -5.873 9.621 1.00 44.32 H new ATOM 0 HA GLU A 20 -5.556 -4.502 7.848 1.00 51.22 H new ATOM 0 HB2 GLU A 20 -4.123 -4.473 9.863 1.00 32.44 H new ATOM 0 HB3 GLU A 20 -5.613 -3.574 10.075 1.00 32.44 H new ATOM 0 HG2 GLU A 20 -5.482 -4.639 12.119 1.00 64.32 H new ATOM 0 HG3 GLU A 20 -6.477 -5.784 11.242 1.00 64.32 H new ATOM 320 N ARG A 21 -3.815 -6.397 7.786 1.00 34.41 N ATOM 321 CA ARG A 21 -2.946 -7.554 7.491 1.00 51.32 C ATOM 322 C ARG A 21 -1.511 -7.066 7.185 1.00 30.43 C ATOM 323 O ARG A 21 -1.325 -6.145 6.382 1.00 23.51 O ATOM 324 CB ARG A 21 -3.529 -8.391 6.305 1.00 30.01 C ATOM 325 CG ARG A 21 -2.813 -9.738 6.033 1.00 45.44 C ATOM 326 CD ARG A 21 -3.578 -10.625 5.032 1.00 72.04 C ATOM 327 NE ARG A 21 -2.888 -11.906 4.763 1.00 33.10 N ATOM 328 CZ ARG A 21 -3.452 -13.126 4.834 1.00 31.54 C ATOM 329 NH1 ARG A 21 -4.729 -13.279 5.177 1.00 11.02 N ATOM 330 NH2 ARG A 21 -2.738 -14.193 4.526 1.00 23.44 N ATOM 0 H ARG A 21 -3.384 -5.498 7.569 1.00 34.41 H new ATOM 0 HA ARG A 21 -2.908 -8.205 8.364 1.00 51.32 H new ATOM 0 HB2 ARG A 21 -4.581 -8.591 6.506 1.00 30.01 H new ATOM 0 HB3 ARG A 21 -3.487 -7.786 5.399 1.00 30.01 H new ATOM 0 HG2 ARG A 21 -1.812 -9.542 5.648 1.00 45.44 H new ATOM 0 HG3 ARG A 21 -2.693 -10.277 6.973 1.00 45.44 H new ATOM 0 HD2 ARG A 21 -4.575 -10.829 5.421 1.00 72.04 H new ATOM 0 HD3 ARG A 21 -3.706 -10.082 4.096 1.00 72.04 H new ATOM 0 HE ARG A 21 -1.903 -11.861 4.502 1.00 33.10 H new ATOM 0 HH11 ARG A 21 -5.301 -12.462 5.392 1.00 11.02 H new ATOM 0 HH12 ARG A 21 -5.136 -14.213 5.224 1.00 11.02 H new ATOM 0 HH21 ARG A 21 -1.765 -14.090 4.237 1.00 23.44 H new ATOM 0 HH22 ARG A 21 -3.159 -15.121 4.578 1.00 23.44 H new ATOM 344 N THR A 22 -0.513 -7.680 7.852 1.00 74.22 N ATOM 345 CA THR A 22 0.921 -7.368 7.666 1.00 40.54 C ATOM 346 C THR A 22 1.528 -8.318 6.607 1.00 22.15 C ATOM 347 O THR A 22 1.640 -9.524 6.846 1.00 15.30 O ATOM 348 CB THR A 22 1.696 -7.518 9.026 1.00 23.12 C ATOM 349 OG1 THR A 22 1.025 -6.765 10.052 1.00 44.34 O ATOM 350 CG2 THR A 22 3.163 -7.046 8.933 1.00 34.41 C ATOM 0 H THR A 22 -0.680 -8.413 8.541 1.00 74.22 H new ATOM 0 HA THR A 22 1.015 -6.338 7.323 1.00 40.54 H new ATOM 0 HB THR A 22 1.706 -8.580 9.270 1.00 23.12 H new ATOM 0 HG1 THR A 22 1.509 -6.862 10.898 1.00 44.34 H new ATOM 0 HG21 THR A 22 3.648 -7.173 9.901 1.00 34.41 H new ATOM 0 HG22 THR A 22 3.689 -7.637 8.183 1.00 34.41 H new ATOM 0 HG23 THR A 22 3.189 -5.994 8.649 1.00 34.41 H new ATOM 358 N TYR A 23 1.899 -7.765 5.442 1.00 50.45 N ATOM 359 CA TYR A 23 2.443 -8.537 4.306 1.00 74.14 C ATOM 360 C TYR A 23 3.972 -8.450 4.286 1.00 21.33 C ATOM 361 O TYR A 23 4.526 -7.365 4.190 1.00 22.42 O ATOM 362 CB TYR A 23 1.895 -7.987 2.962 1.00 33.45 C ATOM 363 CG TYR A 23 0.373 -8.077 2.799 1.00 21.22 C ATOM 364 CD1 TYR A 23 -0.465 -7.095 3.332 1.00 3.12 C ATOM 365 CD2 TYR A 23 -0.222 -9.127 2.100 1.00 13.04 C ATOM 366 CE1 TYR A 23 -1.833 -7.159 3.176 1.00 62.24 C ATOM 367 CE2 TYR A 23 -1.593 -9.195 1.945 1.00 5.10 C ATOM 368 CZ TYR A 23 -2.390 -8.208 2.482 1.00 40.53 C ATOM 369 OH TYR A 23 -3.750 -8.274 2.328 1.00 12.21 O ATOM 0 H TYR A 23 1.831 -6.764 5.257 1.00 50.45 H new ATOM 0 HA TYR A 23 2.135 -9.575 4.428 1.00 74.14 H new ATOM 0 HB2 TYR A 23 2.195 -6.944 2.864 1.00 33.45 H new ATOM 0 HB3 TYR A 23 2.366 -8.532 2.144 1.00 33.45 H new ATOM 0 HD1 TYR A 23 -0.033 -6.269 3.877 1.00 3.12 H new ATOM 0 HD2 TYR A 23 0.400 -9.900 1.673 1.00 13.04 H new ATOM 0 HE1 TYR A 23 -2.464 -6.390 3.596 1.00 62.24 H new ATOM 0 HE2 TYR A 23 -2.038 -10.018 1.405 1.00 5.10 H new ATOM 0 HH TYR A 23 -3.982 -9.075 1.813 1.00 12.21 H new ATOM 379 N GLN A 24 4.638 -9.605 4.338 1.00 71.21 N ATOM 380 CA GLN A 24 6.102 -9.687 4.208 1.00 42.13 C ATOM 381 C GLN A 24 6.438 -9.824 2.717 1.00 41.40 C ATOM 382 O GLN A 24 6.110 -10.835 2.091 1.00 72.24 O ATOM 383 CB GLN A 24 6.694 -10.870 5.036 1.00 34.42 C ATOM 384 CG GLN A 24 6.712 -10.643 6.570 1.00 11.01 C ATOM 385 CD GLN A 24 5.323 -10.561 7.218 1.00 24.12 C ATOM 386 OE1 GLN A 24 4.371 -11.212 6.782 1.00 62.42 O ATOM 387 NE2 GLN A 24 5.192 -9.753 8.258 1.00 31.43 N ATOM 0 H GLN A 24 4.184 -10.509 4.471 1.00 71.21 H new ATOM 0 HA GLN A 24 6.555 -8.782 4.612 1.00 42.13 H new ATOM 0 HB2 GLN A 24 6.117 -11.770 4.822 1.00 34.42 H new ATOM 0 HB3 GLN A 24 7.713 -11.058 4.698 1.00 34.42 H new ATOM 0 HG2 GLN A 24 7.270 -11.454 7.038 1.00 11.01 H new ATOM 0 HG3 GLN A 24 7.253 -9.721 6.782 1.00 11.01 H new ATOM 0 HE21 GLN A 24 5.996 -9.226 8.599 1.00 31.43 H new ATOM 0 HE22 GLN A 24 4.287 -9.658 8.719 1.00 31.43 H new ATOM 396 N LEU A 25 7.043 -8.771 2.152 1.00 54.13 N ATOM 397 CA LEU A 25 7.402 -8.689 0.726 1.00 3.44 C ATOM 398 C LEU A 25 8.908 -8.387 0.619 1.00 53.32 C ATOM 399 O LEU A 25 9.368 -7.371 1.138 1.00 43.10 O ATOM 400 CB LEU A 25 6.559 -7.571 0.026 1.00 41.21 C ATOM 401 CG LEU A 25 4.998 -7.708 0.122 1.00 55.11 C ATOM 402 CD1 LEU A 25 4.284 -6.509 -0.536 1.00 75.04 C ATOM 403 CD2 LEU A 25 4.496 -9.042 -0.478 1.00 71.34 C ATOM 0 H LEU A 25 7.302 -7.937 2.680 1.00 54.13 H new ATOM 0 HA LEU A 25 7.186 -9.634 0.227 1.00 3.44 H new ATOM 0 HB2 LEU A 25 6.844 -6.610 0.454 1.00 41.21 H new ATOM 0 HB3 LEU A 25 6.835 -7.545 -1.028 1.00 41.21 H new ATOM 0 HG LEU A 25 4.747 -7.710 1.183 1.00 55.11 H new ATOM 0 HD11 LEU A 25 3.205 -6.637 -0.451 1.00 75.04 H new ATOM 0 HD12 LEU A 25 4.581 -5.588 -0.034 1.00 75.04 H new ATOM 0 HD13 LEU A 25 4.561 -6.454 -1.589 1.00 75.04 H new ATOM 0 HD21 LEU A 25 3.411 -9.095 -0.390 1.00 71.34 H new ATOM 0 HD22 LEU A 25 4.778 -9.097 -1.529 1.00 71.34 H new ATOM 0 HD23 LEU A 25 4.945 -9.876 0.062 1.00 71.34 H new ATOM 415 N TYR A 26 9.681 -9.289 -0.013 1.00 1.21 N ATOM 416 CA TYR A 26 11.142 -9.107 -0.199 1.00 31.12 C ATOM 417 C TYR A 26 11.458 -8.939 -1.692 1.00 44.33 C ATOM 418 O TYR A 26 10.895 -9.651 -2.516 1.00 13.13 O ATOM 419 CB TYR A 26 11.925 -10.324 0.380 1.00 34.42 C ATOM 420 CG TYR A 26 13.458 -10.196 0.239 1.00 23.30 C ATOM 421 CD1 TYR A 26 14.177 -9.334 1.062 1.00 53.35 C ATOM 422 CD2 TYR A 26 14.177 -10.914 -0.724 1.00 43.13 C ATOM 423 CE1 TYR A 26 15.542 -9.183 0.943 1.00 34.32 C ATOM 424 CE2 TYR A 26 15.549 -10.768 -0.846 1.00 31.00 C ATOM 425 CZ TYR A 26 16.223 -9.900 -0.010 1.00 24.01 C ATOM 426 OH TYR A 26 17.586 -9.753 -0.126 1.00 31.43 O ATOM 0 H TYR A 26 9.320 -10.158 -0.407 1.00 1.21 H new ATOM 0 HA TYR A 26 11.454 -8.211 0.338 1.00 31.12 H new ATOM 0 HB2 TYR A 26 11.674 -10.439 1.434 1.00 34.42 H new ATOM 0 HB3 TYR A 26 11.596 -11.231 -0.127 1.00 34.42 H new ATOM 0 HD1 TYR A 26 13.650 -8.767 1.815 1.00 53.35 H new ATOM 0 HD2 TYR A 26 13.654 -11.592 -1.382 1.00 43.13 H new ATOM 0 HE1 TYR A 26 16.073 -8.505 1.595 1.00 34.32 H new ATOM 0 HE2 TYR A 26 16.090 -11.331 -1.592 1.00 31.00 H new ATOM 0 HH TYR A 26 17.917 -10.330 -0.846 1.00 31.43 H new ATOM 436 N ALA A 27 12.371 -8.012 -2.025 1.00 23.51 N ATOM 437 CA ALA A 27 12.851 -7.813 -3.405 1.00 2.13 C ATOM 438 C ALA A 27 14.230 -7.147 -3.394 1.00 32.44 C ATOM 439 O ALA A 27 14.544 -6.373 -2.481 1.00 71.30 O ATOM 440 CB ALA A 27 11.849 -6.976 -4.228 1.00 73.24 C ATOM 0 H ALA A 27 12.797 -7.380 -1.348 1.00 23.51 H new ATOM 0 HA ALA A 27 12.937 -8.790 -3.880 1.00 2.13 H new ATOM 0 HB1 ALA A 27 12.230 -6.846 -5.241 1.00 73.24 H new ATOM 0 HB2 ALA A 27 10.889 -7.491 -4.265 1.00 73.24 H new ATOM 0 HB3 ALA A 27 11.720 -6.000 -3.760 1.00 73.24 H new ATOM 446 N VAL A 28 15.029 -7.467 -4.430 1.00 14.01 N ATOM 447 CA VAL A 28 16.367 -6.881 -4.673 1.00 22.11 C ATOM 448 C VAL A 28 16.240 -5.386 -5.062 1.00 11.22 C ATOM 449 O VAL A 28 17.158 -4.584 -4.841 1.00 4.41 O ATOM 450 CB VAL A 28 17.123 -7.662 -5.824 1.00 64.13 C ATOM 451 CG1 VAL A 28 18.585 -7.183 -5.999 1.00 14.02 C ATOM 452 CG2 VAL A 28 17.062 -9.190 -5.594 1.00 61.02 C ATOM 0 H VAL A 28 14.760 -8.152 -5.136 1.00 14.01 H new ATOM 0 HA VAL A 28 16.942 -6.966 -3.751 1.00 22.11 H new ATOM 0 HB VAL A 28 16.602 -7.436 -6.754 1.00 64.13 H new ATOM 0 HG11 VAL A 28 19.060 -7.749 -6.800 1.00 14.02 H new ATOM 0 HG12 VAL A 28 18.593 -6.122 -6.250 1.00 14.02 H new ATOM 0 HG13 VAL A 28 19.133 -7.340 -5.070 1.00 14.02 H new ATOM 0 HG21 VAL A 28 17.589 -9.701 -6.400 1.00 61.02 H new ATOM 0 HG22 VAL A 28 17.532 -9.434 -4.641 1.00 61.02 H new ATOM 0 HG23 VAL A 28 16.021 -9.514 -5.579 1.00 61.02 H new ATOM 462 N ARG A 29 15.086 -5.034 -5.648 1.00 14.12 N ATOM 463 CA ARG A 29 14.754 -3.659 -6.059 1.00 23.02 C ATOM 464 C ARG A 29 13.305 -3.316 -5.639 1.00 5.25 C ATOM 465 O ARG A 29 12.395 -4.137 -5.807 1.00 13.10 O ATOM 466 CB ARG A 29 14.923 -3.484 -7.598 1.00 45.12 C ATOM 467 CG ARG A 29 16.376 -3.544 -8.127 1.00 20.33 C ATOM 468 CD ARG A 29 16.460 -3.278 -9.643 1.00 3.34 C ATOM 469 NE ARG A 29 17.850 -3.208 -10.138 1.00 71.33 N ATOM 470 CZ ARG A 29 18.271 -2.456 -11.179 1.00 13.52 C ATOM 471 NH1 ARG A 29 17.424 -1.685 -11.861 1.00 42.41 N ATOM 472 NH2 ARG A 29 19.546 -2.493 -11.541 1.00 11.55 N ATOM 0 H ARG A 29 14.346 -5.705 -5.853 1.00 14.12 H new ATOM 0 HA ARG A 29 15.441 -2.975 -5.560 1.00 23.02 H new ATOM 0 HB2 ARG A 29 14.342 -4.258 -8.099 1.00 45.12 H new ATOM 0 HB3 ARG A 29 14.491 -2.525 -7.885 1.00 45.12 H new ATOM 0 HG2 ARG A 29 16.983 -2.810 -7.598 1.00 20.33 H new ATOM 0 HG3 ARG A 29 16.799 -4.524 -7.909 1.00 20.33 H new ATOM 0 HD2 ARG A 29 15.929 -4.067 -10.175 1.00 3.34 H new ATOM 0 HD3 ARG A 29 15.951 -2.342 -9.871 1.00 3.34 H new ATOM 0 HE ARG A 29 18.549 -3.773 -9.655 1.00 71.33 H new ATOM 0 HH11 ARG A 29 16.438 -1.655 -11.600 1.00 42.41 H new ATOM 0 HH12 ARG A 29 17.762 -1.125 -12.644 1.00 42.41 H new ATOM 0 HH21 ARG A 29 20.203 -3.087 -11.035 1.00 11.55 H new ATOM 0 HH22 ARG A 29 19.870 -1.928 -12.326 1.00 11.55 H new ATOM 486 N ASP A 30 13.096 -2.084 -5.113 1.00 61.21 N ATOM 487 CA ASP A 30 11.750 -1.576 -4.734 1.00 22.13 C ATOM 488 C ASP A 30 10.889 -1.259 -5.975 1.00 20.31 C ATOM 489 O ASP A 30 9.662 -1.177 -5.868 1.00 60.22 O ATOM 490 CB ASP A 30 11.843 -0.358 -3.754 1.00 24.53 C ATOM 491 CG ASP A 30 12.837 0.736 -4.185 1.00 22.34 C ATOM 492 OD1 ASP A 30 14.047 0.561 -3.931 1.00 63.20 O ATOM 493 OD2 ASP A 30 12.432 1.775 -4.754 1.00 34.14 O ATOM 0 H ASP A 30 13.848 -1.417 -4.940 1.00 61.21 H new ATOM 0 HA ASP A 30 11.244 -2.376 -4.194 1.00 22.13 H new ATOM 0 HB2 ASP A 30 10.853 0.088 -3.654 1.00 24.53 H new ATOM 0 HB3 ASP A 30 12.130 -0.723 -2.768 1.00 24.53 H new ATOM 498 N GLU A 31 11.527 -1.114 -7.159 1.00 55.21 N ATOM 499 CA GLU A 31 10.800 -0.978 -8.451 1.00 23.51 C ATOM 500 C GLU A 31 10.135 -2.318 -8.854 1.00 14.45 C ATOM 501 O GLU A 31 9.117 -2.330 -9.547 1.00 43.15 O ATOM 502 CB GLU A 31 11.746 -0.477 -9.580 1.00 73.23 C ATOM 503 CG GLU A 31 12.903 -1.436 -9.927 1.00 14.30 C ATOM 504 CD GLU A 31 13.798 -0.939 -11.072 1.00 70.51 C ATOM 505 OE1 GLU A 31 13.383 -1.038 -12.244 1.00 14.32 O ATOM 506 OE2 GLU A 31 14.924 -0.465 -10.809 1.00 44.53 O ATOM 0 H GLU A 31 12.543 -1.088 -7.251 1.00 55.21 H new ATOM 0 HA GLU A 31 10.016 -0.233 -8.312 1.00 23.51 H new ATOM 0 HB2 GLU A 31 11.155 -0.303 -10.479 1.00 73.23 H new ATOM 0 HB3 GLU A 31 12.166 0.484 -9.283 1.00 73.23 H new ATOM 0 HG2 GLU A 31 13.516 -1.587 -9.039 1.00 14.30 H new ATOM 0 HG3 GLU A 31 12.489 -2.407 -10.197 1.00 14.30 H new ATOM 513 N GLU A 32 10.725 -3.441 -8.401 1.00 62.12 N ATOM 514 CA GLU A 32 10.185 -4.796 -8.647 1.00 13.15 C ATOM 515 C GLU A 32 9.094 -5.140 -7.608 1.00 40.13 C ATOM 516 O GLU A 32 8.241 -5.995 -7.849 1.00 23.22 O ATOM 517 CB GLU A 32 11.322 -5.847 -8.596 1.00 21.13 C ATOM 518 CG GLU A 32 12.509 -5.584 -9.551 1.00 21.41 C ATOM 519 CD GLU A 32 12.128 -5.575 -11.041 1.00 12.35 C ATOM 520 OE1 GLU A 32 11.844 -6.662 -11.592 1.00 12.05 O ATOM 521 OE2 GLU A 32 12.116 -4.490 -11.667 1.00 74.20 O ATOM 0 H GLU A 32 11.587 -3.437 -7.856 1.00 62.12 H new ATOM 0 HA GLU A 32 9.737 -4.813 -9.641 1.00 13.15 H new ATOM 0 HB2 GLU A 32 11.702 -5.897 -7.576 1.00 21.13 H new ATOM 0 HB3 GLU A 32 10.901 -6.825 -8.828 1.00 21.13 H new ATOM 0 HG2 GLU A 32 12.960 -4.625 -9.297 1.00 21.41 H new ATOM 0 HG3 GLU A 32 13.270 -6.347 -9.386 1.00 21.41 H new ATOM 528 N LEU A 33 9.149 -4.457 -6.447 1.00 24.00 N ATOM 529 CA LEU A 33 8.171 -4.611 -5.343 1.00 1.32 C ATOM 530 C LEU A 33 6.772 -4.082 -5.788 1.00 42.04 C ATOM 531 O LEU A 33 5.754 -4.481 -5.220 1.00 71.34 O ATOM 532 CB LEU A 33 8.705 -3.861 -4.062 1.00 42.30 C ATOM 533 CG LEU A 33 8.389 -4.479 -2.645 1.00 3.22 C ATOM 534 CD1 LEU A 33 6.890 -4.511 -2.313 1.00 32.41 C ATOM 535 CD2 LEU A 33 9.010 -5.883 -2.480 1.00 12.23 C ATOM 0 H LEU A 33 9.880 -3.775 -6.244 1.00 24.00 H new ATOM 0 HA LEU A 33 8.054 -5.666 -5.093 1.00 1.32 H new ATOM 0 HB2 LEU A 33 9.788 -3.777 -4.154 1.00 42.30 H new ATOM 0 HB3 LEU A 33 8.304 -2.848 -4.079 1.00 42.30 H new ATOM 0 HG LEU A 33 8.856 -3.806 -1.926 1.00 3.22 H new ATOM 0 HD11 LEU A 33 6.745 -4.948 -1.325 1.00 32.41 H new ATOM 0 HD12 LEU A 33 6.494 -3.496 -2.322 1.00 32.41 H new ATOM 0 HD13 LEU A 33 6.366 -5.112 -3.056 1.00 32.41 H new ATOM 0 HD21 LEU A 33 8.769 -6.273 -1.491 1.00 12.23 H new ATOM 0 HD22 LEU A 33 8.607 -6.551 -3.242 1.00 12.23 H new ATOM 0 HD23 LEU A 33 10.092 -5.817 -2.591 1.00 12.23 H new ATOM 547 N LYS A 34 6.756 -3.206 -6.831 1.00 73.24 N ATOM 548 CA LYS A 34 5.520 -2.615 -7.410 1.00 24.50 C ATOM 549 C LYS A 34 4.432 -3.679 -7.696 1.00 2.14 C ATOM 550 O LYS A 34 3.308 -3.570 -7.193 1.00 52.54 O ATOM 551 CB LYS A 34 5.826 -1.845 -8.731 1.00 33.52 C ATOM 552 CG LYS A 34 6.530 -0.476 -8.581 1.00 31.34 C ATOM 553 CD LYS A 34 6.797 0.186 -9.964 1.00 15.44 C ATOM 554 CE LYS A 34 5.504 0.471 -10.765 1.00 35.21 C ATOM 555 NZ LYS A 34 5.790 0.891 -12.172 1.00 74.12 N ATOM 0 H LYS A 34 7.607 -2.889 -7.295 1.00 73.24 H new ATOM 0 HA LYS A 34 5.140 -1.924 -6.658 1.00 24.50 H new ATOM 0 HB2 LYS A 34 6.447 -2.481 -9.362 1.00 33.52 H new ATOM 0 HB3 LYS A 34 4.887 -1.690 -9.262 1.00 33.52 H new ATOM 0 HG2 LYS A 34 5.913 0.186 -7.973 1.00 31.34 H new ATOM 0 HG3 LYS A 34 7.474 -0.608 -8.052 1.00 31.34 H new ATOM 0 HD2 LYS A 34 7.337 1.121 -9.814 1.00 15.44 H new ATOM 0 HD3 LYS A 34 7.444 -0.465 -10.552 1.00 15.44 H new ATOM 0 HE2 LYS A 34 4.880 -0.423 -10.774 1.00 35.21 H new ATOM 0 HE3 LYS A 34 4.933 1.253 -10.264 1.00 35.21 H new ATOM 0 HZ1 LYS A 34 4.895 1.071 -12.669 1.00 74.12 H new ATOM 0 HZ2 LYS A 34 6.363 1.759 -12.166 1.00 74.12 H new ATOM 0 HZ3 LYS A 34 6.312 0.136 -12.661 1.00 74.12 H new ATOM 569 N GLU A 35 4.786 -4.702 -8.507 1.00 65.30 N ATOM 570 CA GLU A 35 3.844 -5.761 -8.935 1.00 42.31 C ATOM 571 C GLU A 35 3.272 -6.545 -7.739 1.00 73.31 C ATOM 572 O GLU A 35 2.117 -6.979 -7.771 1.00 32.42 O ATOM 573 CB GLU A 35 4.521 -6.695 -9.988 1.00 74.33 C ATOM 574 CG GLU A 35 5.787 -7.477 -9.523 1.00 61.20 C ATOM 575 CD GLU A 35 5.544 -8.880 -8.916 1.00 50.14 C ATOM 576 OE1 GLU A 35 4.386 -9.342 -8.834 1.00 14.41 O ATOM 577 OE2 GLU A 35 6.531 -9.540 -8.526 1.00 24.54 O ATOM 0 H GLU A 35 5.728 -4.816 -8.881 1.00 65.30 H new ATOM 0 HA GLU A 35 2.990 -5.282 -9.414 1.00 42.31 H new ATOM 0 HB2 GLU A 35 3.780 -7.419 -10.326 1.00 74.33 H new ATOM 0 HB3 GLU A 35 4.794 -6.090 -10.853 1.00 74.33 H new ATOM 0 HG2 GLU A 35 6.455 -7.585 -10.378 1.00 61.20 H new ATOM 0 HG3 GLU A 35 6.311 -6.871 -8.784 1.00 61.20 H new ATOM 584 N LYS A 36 4.083 -6.681 -6.677 1.00 1.11 N ATOM 585 CA LYS A 36 3.695 -7.392 -5.447 1.00 42.33 C ATOM 586 C LYS A 36 2.645 -6.592 -4.671 1.00 22.13 C ATOM 587 O LYS A 36 1.687 -7.156 -4.147 1.00 73.34 O ATOM 588 CB LYS A 36 4.945 -7.663 -4.576 1.00 40.34 C ATOM 589 CG LYS A 36 6.010 -8.489 -5.317 1.00 13.04 C ATOM 590 CD LYS A 36 7.168 -8.956 -4.415 1.00 43.12 C ATOM 591 CE LYS A 36 8.017 -10.030 -5.111 1.00 23.20 C ATOM 592 NZ LYS A 36 9.041 -10.606 -4.207 1.00 61.32 N ATOM 0 H LYS A 36 5.029 -6.300 -6.647 1.00 1.11 H new ATOM 0 HA LYS A 36 3.250 -8.350 -5.717 1.00 42.33 H new ATOM 0 HB2 LYS A 36 5.379 -6.713 -4.263 1.00 40.34 H new ATOM 0 HB3 LYS A 36 4.646 -8.190 -3.670 1.00 40.34 H new ATOM 0 HG2 LYS A 36 5.534 -9.362 -5.764 1.00 13.04 H new ATOM 0 HG3 LYS A 36 6.415 -7.893 -6.135 1.00 13.04 H new ATOM 0 HD2 LYS A 36 7.796 -8.104 -4.155 1.00 43.12 H new ATOM 0 HD3 LYS A 36 6.768 -9.353 -3.482 1.00 43.12 H new ATOM 0 HE2 LYS A 36 7.367 -10.826 -5.475 1.00 23.20 H new ATOM 0 HE3 LYS A 36 8.507 -9.595 -5.982 1.00 23.20 H new ATOM 0 HZ1 LYS A 36 9.763 -11.099 -4.770 1.00 61.32 H new ATOM 0 HZ2 LYS A 36 9.489 -9.844 -3.660 1.00 61.32 H new ATOM 0 HZ3 LYS A 36 8.590 -11.280 -3.556 1.00 61.32 H new ATOM 606 N LEU A 37 2.844 -5.266 -4.629 1.00 1.32 N ATOM 607 CA LEU A 37 1.891 -4.315 -4.033 1.00 71.02 C ATOM 608 C LEU A 37 0.550 -4.322 -4.796 1.00 23.54 C ATOM 609 O LEU A 37 -0.503 -4.128 -4.192 1.00 54.34 O ATOM 610 CB LEU A 37 2.504 -2.893 -4.034 1.00 14.25 C ATOM 611 CG LEU A 37 3.773 -2.704 -3.157 1.00 60.42 C ATOM 612 CD1 LEU A 37 4.469 -1.361 -3.449 1.00 20.20 C ATOM 613 CD2 LEU A 37 3.428 -2.835 -1.663 1.00 54.12 C ATOM 0 H LEU A 37 3.678 -4.819 -5.011 1.00 1.32 H new ATOM 0 HA LEU A 37 1.692 -4.621 -3.006 1.00 71.02 H new ATOM 0 HB2 LEU A 37 2.752 -2.625 -5.061 1.00 14.25 H new ATOM 0 HB3 LEU A 37 1.743 -2.189 -3.696 1.00 14.25 H new ATOM 0 HG LEU A 37 4.475 -3.497 -3.416 1.00 60.42 H new ATOM 0 HD11 LEU A 37 5.352 -1.264 -2.817 1.00 20.20 H new ATOM 0 HD12 LEU A 37 4.767 -1.326 -4.497 1.00 20.20 H new ATOM 0 HD13 LEU A 37 3.781 -0.542 -3.240 1.00 20.20 H new ATOM 0 HD21 LEU A 37 4.331 -2.699 -1.068 1.00 54.12 H new ATOM 0 HD22 LEU A 37 2.696 -2.075 -1.391 1.00 54.12 H new ATOM 0 HD23 LEU A 37 3.012 -3.824 -1.471 1.00 54.12 H new ATOM 625 N LYS A 38 0.611 -4.541 -6.132 1.00 63.10 N ATOM 626 CA LYS A 38 -0.584 -4.673 -6.989 1.00 22.34 C ATOM 627 C LYS A 38 -1.388 -5.926 -6.619 1.00 34.14 C ATOM 628 O LYS A 38 -2.621 -5.881 -6.577 1.00 32.11 O ATOM 629 CB LYS A 38 -0.181 -4.733 -8.484 1.00 41.44 C ATOM 630 CG LYS A 38 0.551 -3.480 -9.007 1.00 63.31 C ATOM 631 CD LYS A 38 1.001 -3.628 -10.480 1.00 11.54 C ATOM 632 CE LYS A 38 -0.180 -3.828 -11.447 1.00 63.41 C ATOM 633 NZ LYS A 38 0.270 -3.981 -12.853 1.00 1.32 N ATOM 0 H LYS A 38 1.490 -4.630 -6.641 1.00 63.10 H new ATOM 0 HA LYS A 38 -1.209 -3.795 -6.825 1.00 22.34 H new ATOM 0 HB2 LYS A 38 0.459 -5.602 -8.639 1.00 41.44 H new ATOM 0 HB3 LYS A 38 -1.079 -4.888 -9.082 1.00 41.44 H new ATOM 0 HG2 LYS A 38 -0.106 -2.615 -8.916 1.00 63.31 H new ATOM 0 HG3 LYS A 38 1.423 -3.285 -8.382 1.00 63.31 H new ATOM 0 HD2 LYS A 38 1.560 -2.740 -10.775 1.00 11.54 H new ATOM 0 HD3 LYS A 38 1.681 -4.476 -10.564 1.00 11.54 H new ATOM 0 HE2 LYS A 38 -0.746 -4.711 -11.150 1.00 63.41 H new ATOM 0 HE3 LYS A 38 -0.856 -2.976 -11.374 1.00 63.41 H new ATOM 0 HZ1 LYS A 38 -0.550 -4.181 -13.460 1.00 1.32 H new ATOM 0 HZ2 LYS A 38 0.728 -3.102 -13.168 1.00 1.32 H new ATOM 0 HZ3 LYS A 38 0.948 -4.767 -12.917 1.00 1.32 H new ATOM 647 N LYS A 39 -0.668 -7.048 -6.361 1.00 11.41 N ATOM 648 CA LYS A 39 -1.295 -8.307 -5.903 1.00 0.43 C ATOM 649 C LYS A 39 -1.991 -8.069 -4.553 1.00 5.33 C ATOM 650 O LYS A 39 -3.172 -8.346 -4.403 1.00 5.14 O ATOM 651 CB LYS A 39 -0.256 -9.461 -5.755 1.00 74.40 C ATOM 652 CG LYS A 39 0.642 -9.711 -6.985 1.00 24.20 C ATOM 653 CD LYS A 39 -0.145 -9.929 -8.300 1.00 1.32 C ATOM 654 CE LYS A 39 0.784 -10.200 -9.493 1.00 23.12 C ATOM 655 NZ LYS A 39 1.763 -9.103 -9.679 1.00 65.21 N ATOM 0 H LYS A 39 0.345 -7.103 -6.463 1.00 11.41 H new ATOM 0 HA LYS A 39 -2.020 -8.610 -6.658 1.00 0.43 H new ATOM 0 HB2 LYS A 39 0.383 -9.243 -4.899 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -0.792 -10.382 -5.526 1.00 74.40 H new ATOM 0 HG2 LYS A 39 1.314 -8.862 -7.111 1.00 24.20 H new ATOM 0 HG3 LYS A 39 1.265 -10.585 -6.796 1.00 24.20 H new ATOM 0 HD2 LYS A 39 -0.830 -10.768 -8.177 1.00 1.32 H new ATOM 0 HD3 LYS A 39 -0.753 -9.049 -8.508 1.00 1.32 H new ATOM 0 HE2 LYS A 39 1.314 -11.140 -9.337 1.00 23.12 H new ATOM 0 HE3 LYS A 39 0.190 -10.316 -10.399 1.00 23.12 H new ATOM 0 HZ1 LYS A 39 1.732 -8.773 -10.665 1.00 65.21 H new ATOM 0 HZ2 LYS A 39 1.526 -8.315 -9.043 1.00 65.21 H new ATOM 0 HZ3 LYS A 39 2.719 -9.450 -9.460 1.00 65.21 H new ATOM 669 N VAL A 40 -1.230 -7.491 -3.610 1.00 43.35 N ATOM 670 CA VAL A 40 -1.674 -7.194 -2.238 1.00 13.14 C ATOM 671 C VAL A 40 -2.972 -6.355 -2.222 1.00 71.43 C ATOM 672 O VAL A 40 -3.943 -6.738 -1.570 1.00 43.25 O ATOM 673 CB VAL A 40 -0.508 -6.469 -1.448 1.00 4.33 C ATOM 674 CG1 VAL A 40 -0.991 -5.821 -0.136 1.00 53.34 C ATOM 675 CG2 VAL A 40 0.655 -7.457 -1.165 1.00 61.24 C ATOM 0 H VAL A 40 -0.265 -7.210 -3.784 1.00 43.35 H new ATOM 0 HA VAL A 40 -1.907 -8.135 -1.740 1.00 13.14 H new ATOM 0 HB VAL A 40 -0.149 -5.663 -2.088 1.00 4.33 H new ATOM 0 HG11 VAL A 40 -0.150 -5.339 0.363 1.00 53.34 H new ATOM 0 HG12 VAL A 40 -1.756 -5.077 -0.358 1.00 53.34 H new ATOM 0 HG13 VAL A 40 -1.409 -6.588 0.516 1.00 53.34 H new ATOM 0 HG21 VAL A 40 1.447 -6.941 -0.622 1.00 61.24 H new ATOM 0 HG22 VAL A 40 0.287 -8.290 -0.566 1.00 61.24 H new ATOM 0 HG23 VAL A 40 1.049 -7.835 -2.108 1.00 61.24 H new ATOM 685 N LEU A 41 -2.987 -5.244 -2.978 1.00 53.33 N ATOM 686 CA LEU A 41 -4.132 -4.312 -3.022 1.00 0.42 C ATOM 687 C LEU A 41 -5.363 -4.960 -3.681 1.00 13.42 C ATOM 688 O LEU A 41 -6.444 -4.941 -3.106 1.00 31.14 O ATOM 689 CB LEU A 41 -3.752 -3.000 -3.766 1.00 51.31 C ATOM 690 CG LEU A 41 -2.791 -2.029 -3.013 1.00 4.13 C ATOM 691 CD1 LEU A 41 -2.361 -0.865 -3.931 1.00 31.21 C ATOM 692 CD2 LEU A 41 -3.439 -1.501 -1.709 1.00 1.10 C ATOM 0 H LEU A 41 -2.209 -4.965 -3.575 1.00 53.33 H new ATOM 0 HA LEU A 41 -4.390 -4.067 -1.992 1.00 0.42 H new ATOM 0 HB2 LEU A 41 -3.291 -3.268 -4.717 1.00 51.31 H new ATOM 0 HB3 LEU A 41 -4.670 -2.460 -3.998 1.00 51.31 H new ATOM 0 HG LEU A 41 -1.897 -2.588 -2.735 1.00 4.13 H new ATOM 0 HD11 LEU A 41 -1.691 -0.200 -3.386 1.00 31.21 H new ATOM 0 HD12 LEU A 41 -1.845 -1.262 -4.805 1.00 31.21 H new ATOM 0 HD13 LEU A 41 -3.242 -0.309 -4.251 1.00 31.21 H new ATOM 0 HD21 LEU A 41 -2.746 -0.827 -1.206 1.00 1.10 H new ATOM 0 HD22 LEU A 41 -4.357 -0.965 -1.950 1.00 1.10 H new ATOM 0 HD23 LEU A 41 -3.671 -2.340 -1.052 1.00 1.10 H new ATOM 704 N ASN A 42 -5.180 -5.535 -4.881 1.00 3.31 N ATOM 705 CA ASN A 42 -6.287 -6.089 -5.687 1.00 1.11 C ATOM 706 C ASN A 42 -6.945 -7.315 -5.015 1.00 31.23 C ATOM 707 O ASN A 42 -8.174 -7.457 -5.053 1.00 5.54 O ATOM 708 CB ASN A 42 -5.775 -6.422 -7.113 1.00 44.53 C ATOM 709 CG ASN A 42 -6.872 -6.956 -8.035 1.00 71.44 C ATOM 710 OD1 ASN A 42 -7.017 -8.162 -8.226 1.00 25.31 O ATOM 711 ND2 ASN A 42 -7.670 -6.064 -8.586 1.00 65.10 N ATOM 0 H ASN A 42 -4.265 -5.630 -5.321 1.00 3.31 H new ATOM 0 HA ASN A 42 -7.068 -5.332 -5.760 1.00 1.11 H new ATOM 0 HB2 ASN A 42 -5.342 -5.525 -7.556 1.00 44.53 H new ATOM 0 HB3 ASN A 42 -4.976 -7.161 -7.043 1.00 44.53 H new ATOM 0 HD21 ASN A 42 -8.434 -6.367 -9.190 1.00 65.10 H new ATOM 0 HD22 ASN A 42 -7.524 -5.070 -8.408 1.00 65.10 H new ATOM 718 N GLU A 43 -6.126 -8.180 -4.386 1.00 63.44 N ATOM 719 CA GLU A 43 -6.617 -9.354 -3.639 1.00 30.24 C ATOM 720 C GLU A 43 -7.324 -8.917 -2.336 1.00 32.13 C ATOM 721 O GLU A 43 -8.373 -9.462 -1.986 1.00 34.23 O ATOM 722 CB GLU A 43 -5.453 -10.330 -3.308 1.00 72.31 C ATOM 723 CG GLU A 43 -4.776 -11.001 -4.530 1.00 24.22 C ATOM 724 CD GLU A 43 -5.727 -11.861 -5.381 1.00 13.34 C ATOM 725 OE1 GLU A 43 -6.156 -12.931 -4.900 1.00 31.15 O ATOM 726 OE2 GLU A 43 -6.046 -11.479 -6.530 1.00 61.21 O ATOM 0 H GLU A 43 -5.110 -8.085 -4.381 1.00 63.44 H new ATOM 0 HA GLU A 43 -7.336 -9.873 -4.273 1.00 30.24 H new ATOM 0 HB2 GLU A 43 -4.693 -9.785 -2.748 1.00 72.31 H new ATOM 0 HB3 GLU A 43 -5.834 -11.112 -2.651 1.00 72.31 H new ATOM 0 HG2 GLU A 43 -4.341 -10.226 -5.161 1.00 24.22 H new ATOM 0 HG3 GLU A 43 -3.954 -11.625 -4.179 1.00 24.22 H new ATOM 733 N ARG A 44 -6.733 -7.937 -1.619 1.00 23.04 N ATOM 734 CA ARG A 44 -7.281 -7.446 -0.329 1.00 64.01 C ATOM 735 C ARG A 44 -8.589 -6.657 -0.528 1.00 64.23 C ATOM 736 O ARG A 44 -9.485 -6.704 0.318 1.00 72.00 O ATOM 737 CB ARG A 44 -6.242 -6.560 0.421 1.00 35.31 C ATOM 738 CG ARG A 44 -6.585 -6.267 1.906 1.00 62.21 C ATOM 739 CD ARG A 44 -6.801 -7.569 2.705 1.00 52.11 C ATOM 740 NE ARG A 44 -7.015 -7.354 4.147 1.00 22.31 N ATOM 741 CZ ARG A 44 -7.883 -8.057 4.898 1.00 72.13 C ATOM 742 NH1 ARG A 44 -8.649 -9.004 4.343 1.00 40.24 N ATOM 743 NH2 ARG A 44 -7.925 -7.869 6.212 1.00 13.13 N ATOM 0 H ARG A 44 -5.875 -7.468 -1.909 1.00 23.04 H new ATOM 0 HA ARG A 44 -7.500 -8.326 0.276 1.00 64.01 H new ATOM 0 HB2 ARG A 44 -5.269 -7.050 0.378 1.00 35.31 H new ATOM 0 HB3 ARG A 44 -6.145 -5.612 -0.108 1.00 35.31 H new ATOM 0 HG2 ARG A 44 -5.779 -5.690 2.360 1.00 62.21 H new ATOM 0 HG3 ARG A 44 -7.484 -5.653 1.958 1.00 62.21 H new ATOM 0 HD2 ARG A 44 -7.661 -8.098 2.294 1.00 52.11 H new ATOM 0 HD3 ARG A 44 -5.934 -8.216 2.568 1.00 52.11 H new ATOM 0 HE ARG A 44 -6.470 -6.625 4.606 1.00 22.31 H new ATOM 0 HH11 ARG A 44 -8.577 -9.197 3.344 1.00 40.24 H new ATOM 0 HH12 ARG A 44 -9.304 -9.532 4.919 1.00 40.24 H new ATOM 0 HH21 ARG A 44 -7.300 -7.193 6.651 1.00 13.13 H new ATOM 0 HH22 ARG A 44 -8.582 -8.401 6.783 1.00 13.13 H new ATOM 757 N MET A 45 -8.679 -5.928 -1.648 1.00 52.21 N ATOM 758 CA MET A 45 -9.840 -5.071 -1.952 1.00 73.03 C ATOM 759 C MET A 45 -10.912 -5.802 -2.769 1.00 63.42 C ATOM 760 O MET A 45 -12.005 -5.269 -2.931 1.00 43.22 O ATOM 761 CB MET A 45 -9.403 -3.754 -2.646 1.00 72.33 C ATOM 762 CG MET A 45 -8.610 -2.798 -1.731 1.00 53.50 C ATOM 763 SD MET A 45 -8.504 -1.126 -2.394 1.00 53.32 S ATOM 764 CE MET A 45 -10.225 -0.624 -2.423 1.00 34.23 C ATOM 0 H MET A 45 -7.956 -5.913 -2.367 1.00 52.21 H new ATOM 0 HA MET A 45 -10.297 -4.813 -0.996 1.00 73.03 H new ATOM 0 HB2 MET A 45 -8.793 -3.998 -3.516 1.00 72.33 H new ATOM 0 HB3 MET A 45 -10.289 -3.237 -3.014 1.00 72.33 H new ATOM 0 HG2 MET A 45 -9.083 -2.766 -0.750 1.00 53.50 H new ATOM 0 HG3 MET A 45 -7.604 -3.191 -1.587 1.00 53.50 H new ATOM 0 HE1 MET A 45 -10.287 0.457 -2.552 1.00 34.23 H new ATOM 0 HE2 MET A 45 -10.734 -1.118 -3.250 1.00 34.23 H new ATOM 0 HE3 MET A 45 -10.702 -0.905 -1.484 1.00 34.23 H new ATOM 774 N ASP A 46 -10.614 -7.025 -3.246 1.00 12.34 N ATOM 775 CA ASP A 46 -11.608 -7.874 -3.950 1.00 33.35 C ATOM 776 C ASP A 46 -12.853 -8.179 -3.046 1.00 63.31 C ATOM 777 O ASP A 46 -13.989 -7.966 -3.498 1.00 31.33 O ATOM 778 CB ASP A 46 -10.942 -9.174 -4.497 1.00 43.30 C ATOM 779 CG ASP A 46 -11.887 -10.030 -5.363 1.00 73.34 C ATOM 780 OD1 ASP A 46 -11.933 -9.822 -6.599 1.00 44.03 O ATOM 781 OD2 ASP A 46 -12.599 -10.900 -4.816 1.00 4.15 O ATOM 0 H ASP A 46 -9.692 -7.453 -3.159 1.00 12.34 H new ATOM 0 HA ASP A 46 -11.979 -7.314 -4.809 1.00 33.35 H new ATOM 0 HB2 ASP A 46 -10.066 -8.904 -5.087 1.00 43.30 H new ATOM 0 HB3 ASP A 46 -10.589 -9.773 -3.658 1.00 43.30 H new ATOM 786 N PRO A 47 -12.689 -8.642 -1.741 1.00 44.21 N ATOM 787 CA PRO A 47 -13.845 -8.828 -0.816 1.00 61.01 C ATOM 788 C PRO A 47 -14.507 -7.487 -0.415 1.00 34.54 C ATOM 789 O PRO A 47 -15.695 -7.456 -0.102 1.00 13.23 O ATOM 790 CB PRO A 47 -13.210 -9.534 0.412 1.00 41.01 C ATOM 791 CG PRO A 47 -11.777 -9.117 0.387 1.00 60.10 C ATOM 792 CD PRO A 47 -11.413 -9.053 -1.076 1.00 5.32 C ATOM 0 HA PRO A 47 -14.652 -9.400 -1.275 1.00 61.01 H new ATOM 0 HB2 PRO A 47 -13.695 -9.229 1.339 1.00 41.01 H new ATOM 0 HB3 PRO A 47 -13.309 -10.617 0.341 1.00 41.01 H new ATOM 0 HG2 PRO A 47 -11.639 -8.150 0.870 1.00 60.10 H new ATOM 0 HG3 PRO A 47 -11.149 -9.832 0.919 1.00 60.10 H new ATOM 0 HD2 PRO A 47 -10.616 -8.333 -1.259 1.00 5.32 H new ATOM 0 HD3 PRO A 47 -11.062 -10.017 -1.444 1.00 5.32 H new ATOM 800 N ILE A 48 -13.726 -6.389 -0.464 1.00 41.32 N ATOM 801 CA ILE A 48 -14.173 -5.032 -0.073 1.00 70.22 C ATOM 802 C ILE A 48 -15.148 -4.443 -1.130 1.00 20.15 C ATOM 803 O ILE A 48 -16.101 -3.719 -0.793 1.00 31.45 O ATOM 804 CB ILE A 48 -12.919 -4.092 0.107 1.00 54.42 C ATOM 805 CG1 ILE A 48 -11.925 -4.670 1.176 1.00 3.33 C ATOM 806 CG2 ILE A 48 -13.310 -2.638 0.433 1.00 3.23 C ATOM 807 CD1 ILE A 48 -12.472 -4.836 2.587 1.00 20.34 C ATOM 0 H ILE A 48 -12.756 -6.417 -0.779 1.00 41.32 H new ATOM 0 HA ILE A 48 -14.708 -5.099 0.874 1.00 70.22 H new ATOM 0 HB ILE A 48 -12.406 -4.067 -0.854 1.00 54.42 H new ATOM 0 HG12 ILE A 48 -11.576 -5.642 0.828 1.00 3.33 H new ATOM 0 HG13 ILE A 48 -11.054 -4.016 1.222 1.00 3.33 H new ATOM 0 HG21 ILE A 48 -12.409 -2.036 0.546 1.00 3.23 H new ATOM 0 HG22 ILE A 48 -13.917 -2.234 -0.377 1.00 3.23 H new ATOM 0 HG23 ILE A 48 -13.881 -2.614 1.361 1.00 3.23 H new ATOM 0 HD11 ILE A 48 -11.694 -5.242 3.233 1.00 20.34 H new ATOM 0 HD12 ILE A 48 -12.792 -3.867 2.970 1.00 20.34 H new ATOM 0 HD13 ILE A 48 -13.322 -5.518 2.570 1.00 20.34 H new ATOM 819 N LYS A 49 -14.906 -4.795 -2.404 1.00 43.44 N ATOM 820 CA LYS A 49 -15.768 -4.408 -3.541 1.00 23.25 C ATOM 821 C LYS A 49 -17.101 -5.178 -3.480 1.00 24.40 C ATOM 822 O LYS A 49 -18.150 -4.672 -3.901 1.00 41.22 O ATOM 823 CB LYS A 49 -15.013 -4.698 -4.869 1.00 61.51 C ATOM 824 CG LYS A 49 -13.741 -3.831 -5.074 1.00 24.33 C ATOM 825 CD LYS A 49 -12.788 -4.384 -6.162 1.00 75.02 C ATOM 826 CE LYS A 49 -13.434 -4.477 -7.547 1.00 73.10 C ATOM 827 NZ LYS A 49 -12.512 -5.087 -8.543 1.00 63.24 N ATOM 0 H LYS A 49 -14.102 -5.360 -2.679 1.00 43.44 H new ATOM 0 HA LYS A 49 -15.996 -3.343 -3.490 1.00 23.25 H new ATOM 0 HB2 LYS A 49 -14.731 -5.751 -4.892 1.00 61.51 H new ATOM 0 HB3 LYS A 49 -15.692 -4.532 -5.705 1.00 61.51 H new ATOM 0 HG2 LYS A 49 -14.040 -2.818 -5.344 1.00 24.33 H new ATOM 0 HG3 LYS A 49 -13.201 -3.762 -4.130 1.00 24.33 H new ATOM 0 HD2 LYS A 49 -11.908 -3.744 -6.222 1.00 75.02 H new ATOM 0 HD3 LYS A 49 -12.443 -5.374 -5.863 1.00 75.02 H new ATOM 0 HE2 LYS A 49 -14.346 -5.070 -7.484 1.00 73.10 H new ATOM 0 HE3 LYS A 49 -13.724 -3.481 -7.881 1.00 73.10 H new ATOM 0 HZ1 LYS A 49 -12.983 -5.134 -9.469 1.00 63.24 H new ATOM 0 HZ2 LYS A 49 -11.652 -4.507 -8.621 1.00 63.24 H new ATOM 0 HZ3 LYS A 49 -12.255 -6.047 -8.236 1.00 63.24 H new ATOM 841 N LYS A 50 -17.023 -6.418 -2.950 1.00 31.45 N ATOM 842 CA LYS A 50 -18.198 -7.263 -2.661 1.00 71.50 C ATOM 843 C LYS A 50 -18.980 -6.714 -1.448 1.00 40.13 C ATOM 844 O LYS A 50 -20.203 -6.805 -1.411 1.00 34.45 O ATOM 845 CB LYS A 50 -17.717 -8.739 -2.455 1.00 50.41 C ATOM 846 CG LYS A 50 -18.816 -9.825 -2.187 1.00 33.24 C ATOM 847 CD LYS A 50 -19.241 -9.970 -0.698 1.00 2.02 C ATOM 848 CE LYS A 50 -18.058 -10.300 0.231 1.00 21.43 C ATOM 849 NZ LYS A 50 -17.386 -11.570 -0.141 1.00 32.43 N ATOM 0 H LYS A 50 -16.137 -6.862 -2.710 1.00 31.45 H new ATOM 0 HA LYS A 50 -18.893 -7.246 -3.501 1.00 71.50 H new ATOM 0 HB2 LYS A 50 -17.157 -9.038 -3.341 1.00 50.41 H new ATOM 0 HB3 LYS A 50 -17.019 -8.752 -1.618 1.00 50.41 H new ATOM 0 HG2 LYS A 50 -19.698 -9.583 -2.780 1.00 33.24 H new ATOM 0 HG3 LYS A 50 -18.449 -10.788 -2.541 1.00 33.24 H new ATOM 0 HD2 LYS A 50 -19.710 -9.043 -0.367 1.00 2.02 H new ATOM 0 HD3 LYS A 50 -19.993 -10.755 -0.614 1.00 2.02 H new ATOM 0 HE2 LYS A 50 -17.334 -9.485 0.197 1.00 21.43 H new ATOM 0 HE3 LYS A 50 -18.414 -10.368 1.259 1.00 21.43 H new ATOM 0 HZ1 LYS A 50 -16.619 -11.767 0.533 1.00 32.43 H new ATOM 0 HZ2 LYS A 50 -18.076 -12.348 -0.117 1.00 32.43 H new ATOM 0 HZ3 LYS A 50 -16.992 -11.486 -1.100 1.00 32.43 H new ATOM 863 N LEU A 51 -18.262 -6.114 -0.476 1.00 72.02 N ATOM 864 CA LEU A 51 -18.893 -5.486 0.712 1.00 72.21 C ATOM 865 C LEU A 51 -19.652 -4.222 0.277 1.00 14.51 C ATOM 866 O LEU A 51 -20.675 -3.859 0.870 1.00 31.42 O ATOM 867 CB LEU A 51 -17.829 -5.147 1.799 1.00 62.32 C ATOM 868 CG LEU A 51 -17.166 -6.367 2.521 1.00 24.01 C ATOM 869 CD1 LEU A 51 -16.021 -5.926 3.460 1.00 62.00 C ATOM 870 CD2 LEU A 51 -18.215 -7.202 3.283 1.00 73.55 C ATOM 0 H LEU A 51 -17.244 -6.049 -0.487 1.00 72.02 H new ATOM 0 HA LEU A 51 -19.596 -6.192 1.154 1.00 72.21 H new ATOM 0 HB2 LEU A 51 -17.041 -4.554 1.334 1.00 62.32 H new ATOM 0 HB3 LEU A 51 -18.299 -4.516 2.554 1.00 62.32 H new ATOM 0 HG LEU A 51 -16.728 -6.999 1.748 1.00 24.01 H new ATOM 0 HD11 LEU A 51 -15.587 -6.802 3.942 1.00 62.00 H new ATOM 0 HD12 LEU A 51 -15.253 -5.413 2.881 1.00 62.00 H new ATOM 0 HD13 LEU A 51 -16.414 -5.251 4.221 1.00 62.00 H new ATOM 0 HD21 LEU A 51 -17.724 -8.042 3.774 1.00 73.55 H new ATOM 0 HD22 LEU A 51 -18.702 -6.578 4.032 1.00 73.55 H new ATOM 0 HD23 LEU A 51 -18.961 -7.577 2.582 1.00 73.55 H new ATOM 882 N GLY A 52 -19.137 -3.575 -0.784 1.00 75.40 N ATOM 883 CA GLY A 52 -19.818 -2.459 -1.432 1.00 44.41 C ATOM 884 C GLY A 52 -19.403 -1.101 -0.905 1.00 31.31 C ATOM 885 O GLY A 52 -20.110 -0.114 -1.110 1.00 71.03 O ATOM 0 H GLY A 52 -18.241 -3.816 -1.208 1.00 75.40 H new ATOM 0 HA2 GLY A 52 -19.621 -2.498 -2.503 1.00 44.41 H new ATOM 0 HA3 GLY A 52 -20.894 -2.576 -1.301 1.00 44.41 H new ATOM 889 N CYS A 53 -18.245 -1.039 -0.246 1.00 4.14 N ATOM 890 CA CYS A 53 -17.747 0.203 0.356 1.00 3.10 C ATOM 891 C CYS A 53 -17.289 1.197 -0.726 1.00 42.14 C ATOM 892 O CYS A 53 -16.227 1.021 -1.326 1.00 24.40 O ATOM 893 CB CYS A 53 -16.625 -0.117 1.349 1.00 73.14 C ATOM 894 SG CYS A 53 -17.193 -1.150 2.730 1.00 33.42 S ATOM 0 H CYS A 53 -17.628 -1.841 -0.114 1.00 4.14 H new ATOM 0 HA CYS A 53 -18.558 0.684 0.903 1.00 3.10 H new ATOM 0 HB2 CYS A 53 -15.816 -0.627 0.826 1.00 73.14 H new ATOM 0 HB3 CYS A 53 -16.214 0.814 1.740 1.00 73.14 H new ATOM 899 N LYS A 54 -18.149 2.210 -0.981 1.00 14.12 N ATOM 900 CA LYS A 54 -17.892 3.320 -1.923 1.00 3.25 C ATOM 901 C LYS A 54 -16.580 4.036 -1.549 1.00 61.55 C ATOM 902 O LYS A 54 -15.652 4.144 -2.362 1.00 43.42 O ATOM 903 CB LYS A 54 -19.089 4.322 -1.869 1.00 13.23 C ATOM 904 CG LYS A 54 -20.471 3.707 -2.204 1.00 51.12 C ATOM 905 CD LYS A 54 -20.623 3.304 -3.687 1.00 72.34 C ATOM 906 CE LYS A 54 -20.547 4.518 -4.637 1.00 23.45 C ATOM 907 NZ LYS A 54 -20.735 4.141 -6.065 1.00 22.31 N ATOM 0 H LYS A 54 -19.060 2.278 -0.527 1.00 14.12 H new ATOM 0 HA LYS A 54 -17.794 2.927 -2.935 1.00 3.25 H new ATOM 0 HB2 LYS A 54 -19.134 4.758 -0.871 1.00 13.23 H new ATOM 0 HB3 LYS A 54 -18.892 5.138 -2.565 1.00 13.23 H new ATOM 0 HG2 LYS A 54 -20.630 2.828 -1.579 1.00 51.12 H new ATOM 0 HG3 LYS A 54 -21.251 4.425 -1.949 1.00 51.12 H new ATOM 0 HD2 LYS A 54 -19.841 2.591 -3.949 1.00 72.34 H new ATOM 0 HD3 LYS A 54 -21.577 2.796 -3.827 1.00 72.34 H new ATOM 0 HE2 LYS A 54 -21.309 5.244 -4.354 1.00 23.45 H new ATOM 0 HE3 LYS A 54 -19.580 5.007 -4.519 1.00 23.45 H new ATOM 0 HZ1 LYS A 54 -20.675 4.992 -6.660 1.00 22.31 H new ATOM 0 HZ2 LYS A 54 -19.993 3.469 -6.347 1.00 22.31 H new ATOM 0 HZ3 LYS A 54 -21.668 3.699 -6.187 1.00 22.31 H new ATOM 921 N ARG A 55 -16.535 4.509 -0.292 1.00 3.50 N ATOM 922 CA ARG A 55 -15.354 5.150 0.305 1.00 20.43 C ATOM 923 C ARG A 55 -14.662 4.161 1.250 1.00 34.22 C ATOM 924 O ARG A 55 -15.294 3.598 2.155 1.00 63.34 O ATOM 925 CB ARG A 55 -15.761 6.459 1.058 1.00 33.21 C ATOM 926 CG ARG A 55 -14.665 7.105 1.955 1.00 4.03 C ATOM 927 CD ARG A 55 -13.346 7.404 1.218 1.00 12.35 C ATOM 928 NE ARG A 55 -13.516 8.339 0.088 1.00 11.31 N ATOM 929 CZ ARG A 55 -13.097 9.616 0.068 1.00 73.34 C ATOM 930 NH1 ARG A 55 -12.473 10.153 1.115 1.00 22.31 N ATOM 931 NH2 ARG A 55 -13.272 10.349 -1.022 1.00 32.54 N ATOM 0 H ARG A 55 -17.329 4.455 0.345 1.00 3.50 H new ATOM 0 HA ARG A 55 -14.656 5.429 -0.484 1.00 20.43 H new ATOM 0 HB2 ARG A 55 -16.077 7.195 0.319 1.00 33.21 H new ATOM 0 HB3 ARG A 55 -16.628 6.240 1.681 1.00 33.21 H new ATOM 0 HG2 ARG A 55 -15.054 8.033 2.373 1.00 4.03 H new ATOM 0 HG3 ARG A 55 -14.458 6.440 2.793 1.00 4.03 H new ATOM 0 HD2 ARG A 55 -12.629 7.822 1.924 1.00 12.35 H new ATOM 0 HD3 ARG A 55 -12.922 6.470 0.849 1.00 12.35 H new ATOM 0 HE ARG A 55 -13.989 7.988 -0.744 1.00 11.31 H new ATOM 0 HH11 ARG A 55 -12.306 9.593 1.951 1.00 22.31 H new ATOM 0 HH12 ARG A 55 -12.162 11.124 1.081 1.00 22.31 H new ATOM 0 HH21 ARG A 55 -13.723 9.944 -1.842 1.00 32.54 H new ATOM 0 HH22 ARG A 55 -12.955 11.318 -1.041 1.00 32.54 H new ATOM 945 N VAL A 56 -13.363 3.950 1.008 1.00 4.02 N ATOM 946 CA VAL A 56 -12.484 3.165 1.878 1.00 42.43 C ATOM 947 C VAL A 56 -11.308 4.042 2.332 1.00 74.11 C ATOM 948 O VAL A 56 -10.831 4.891 1.570 1.00 60.40 O ATOM 949 CB VAL A 56 -11.949 1.876 1.148 1.00 31.52 C ATOM 950 CG1 VAL A 56 -13.111 0.926 0.798 1.00 43.00 C ATOM 951 CG2 VAL A 56 -11.119 2.222 -0.116 1.00 43.23 C ATOM 0 H VAL A 56 -12.887 4.327 0.188 1.00 4.02 H new ATOM 0 HA VAL A 56 -13.059 2.837 2.744 1.00 42.43 H new ATOM 0 HB VAL A 56 -11.280 1.367 1.841 1.00 31.52 H new ATOM 0 HG11 VAL A 56 -12.719 0.042 0.294 1.00 43.00 H new ATOM 0 HG12 VAL A 56 -13.623 0.626 1.712 1.00 43.00 H new ATOM 0 HG13 VAL A 56 -13.813 1.437 0.140 1.00 43.00 H new ATOM 0 HG21 VAL A 56 -10.771 1.302 -0.586 1.00 43.23 H new ATOM 0 HG22 VAL A 56 -11.741 2.776 -0.819 1.00 43.23 H new ATOM 0 HG23 VAL A 56 -10.261 2.831 0.168 1.00 43.23 H new ATOM 961 N ARG A 57 -10.877 3.864 3.585 1.00 14.34 N ATOM 962 CA ARG A 57 -9.664 4.499 4.117 1.00 24.31 C ATOM 963 C ARG A 57 -8.620 3.405 4.348 1.00 14.22 C ATOM 964 O ARG A 57 -8.752 2.596 5.273 1.00 33.15 O ATOM 965 CB ARG A 57 -9.977 5.272 5.428 1.00 12.34 C ATOM 966 CG ARG A 57 -8.739 5.913 6.104 1.00 43.33 C ATOM 967 CD ARG A 57 -9.096 6.767 7.335 1.00 24.24 C ATOM 968 NE ARG A 57 -9.797 8.016 6.966 1.00 54.43 N ATOM 969 CZ ARG A 57 -11.040 8.364 7.342 1.00 42.01 C ATOM 970 NH1 ARG A 57 -11.783 7.570 8.113 1.00 44.34 N ATOM 971 NH2 ARG A 57 -11.529 9.526 6.939 1.00 63.32 N ATOM 0 H ARG A 57 -11.360 3.274 4.262 1.00 14.34 H new ATOM 0 HA ARG A 57 -9.277 5.229 3.406 1.00 24.31 H new ATOM 0 HB2 ARG A 57 -10.703 6.055 5.209 1.00 12.34 H new ATOM 0 HB3 ARG A 57 -10.449 4.589 6.134 1.00 12.34 H new ATOM 0 HG2 ARG A 57 -8.048 5.125 6.404 1.00 43.33 H new ATOM 0 HG3 ARG A 57 -8.217 6.535 5.377 1.00 43.33 H new ATOM 0 HD2 ARG A 57 -9.725 6.185 8.008 1.00 24.24 H new ATOM 0 HD3 ARG A 57 -8.185 7.012 7.881 1.00 24.24 H new ATOM 0 HE ARG A 57 -9.291 8.673 6.372 1.00 54.43 H new ATOM 0 HH11 ARG A 57 -11.411 6.675 8.432 1.00 44.34 H new ATOM 0 HH12 ARG A 57 -12.723 7.857 8.384 1.00 44.34 H new ATOM 0 HH21 ARG A 57 -10.965 10.141 6.353 1.00 63.32 H new ATOM 0 HH22 ARG A 57 -12.470 9.806 7.215 1.00 63.32 H new ATOM 985 N ILE A 58 -7.615 3.369 3.470 1.00 1.40 N ATOM 986 CA ILE A 58 -6.522 2.389 3.512 1.00 3.11 C ATOM 987 C ILE A 58 -5.285 3.074 4.121 1.00 73.22 C ATOM 988 O ILE A 58 -4.728 3.991 3.521 1.00 54.50 O ATOM 989 CB ILE A 58 -6.161 1.856 2.069 1.00 5.00 C ATOM 990 CG1 ILE A 58 -7.442 1.445 1.280 1.00 70.13 C ATOM 991 CG2 ILE A 58 -5.161 0.673 2.160 1.00 1.34 C ATOM 992 CD1 ILE A 58 -7.198 1.010 -0.158 1.00 55.33 C ATOM 0 H ILE A 58 -7.535 4.029 2.697 1.00 1.40 H new ATOM 0 HA ILE A 58 -6.839 1.537 4.113 1.00 3.11 H new ATOM 0 HB ILE A 58 -5.683 2.667 1.520 1.00 5.00 H new ATOM 0 HG12 ILE A 58 -7.933 0.630 1.812 1.00 70.13 H new ATOM 0 HG13 ILE A 58 -8.135 2.287 1.277 1.00 70.13 H new ATOM 0 HG21 ILE A 58 -4.924 0.319 1.157 1.00 1.34 H new ATOM 0 HG22 ILE A 58 -4.247 1.006 2.653 1.00 1.34 H new ATOM 0 HG23 ILE A 58 -5.608 -0.138 2.735 1.00 1.34 H new ATOM 0 HD11 ILE A 58 -8.147 0.744 -0.624 1.00 55.33 H new ATOM 0 HD12 ILE A 58 -6.738 1.828 -0.713 1.00 55.33 H new ATOM 0 HD13 ILE A 58 -6.534 0.146 -0.169 1.00 55.33 H new ATOM 1004 N SER A 59 -4.884 2.645 5.315 1.00 42.12 N ATOM 1005 CA SER A 59 -3.685 3.141 5.984 1.00 11.02 C ATOM 1006 C SER A 59 -2.569 2.106 5.779 1.00 71.33 C ATOM 1007 O SER A 59 -2.601 1.023 6.376 1.00 75.13 O ATOM 1008 CB SER A 59 -4.003 3.363 7.480 1.00 31.13 C ATOM 1009 OG SER A 59 -5.087 4.275 7.634 1.00 74.10 O ATOM 0 H SER A 59 -5.387 1.937 5.850 1.00 42.12 H new ATOM 0 HA SER A 59 -3.356 4.095 5.572 1.00 11.02 H new ATOM 0 HB2 SER A 59 -4.252 2.411 7.949 1.00 31.13 H new ATOM 0 HB3 SER A 59 -3.121 3.749 7.991 1.00 31.13 H new ATOM 0 HG SER A 59 -5.275 4.402 8.587 1.00 74.10 H new ATOM 1015 N ILE A 60 -1.630 2.428 4.880 1.00 54.42 N ATOM 1016 CA ILE A 60 -0.482 1.569 4.566 1.00 33.21 C ATOM 1017 C ILE A 60 0.757 2.094 5.310 1.00 73.33 C ATOM 1018 O ILE A 60 1.205 3.223 5.072 1.00 62.15 O ATOM 1019 CB ILE A 60 -0.219 1.510 3.009 1.00 2.42 C ATOM 1020 CG1 ILE A 60 -1.451 0.885 2.274 1.00 62.33 C ATOM 1021 CG2 ILE A 60 1.087 0.739 2.677 1.00 32.21 C ATOM 1022 CD1 ILE A 60 -1.337 0.822 0.758 1.00 74.00 C ATOM 0 H ILE A 60 -1.646 3.297 4.347 1.00 54.42 H new ATOM 0 HA ILE A 60 -0.699 0.553 4.895 1.00 33.21 H new ATOM 0 HB ILE A 60 -0.085 2.531 2.650 1.00 2.42 H new ATOM 0 HG12 ILE A 60 -1.606 -0.125 2.653 1.00 62.33 H new ATOM 0 HG13 ILE A 60 -2.339 1.462 2.532 1.00 62.33 H new ATOM 0 HG21 ILE A 60 1.234 0.720 1.597 1.00 32.21 H new ATOM 0 HG22 ILE A 60 1.934 1.237 3.149 1.00 32.21 H new ATOM 0 HG23 ILE A 60 1.012 -0.282 3.051 1.00 32.21 H new ATOM 0 HD11 ILE A 60 -2.240 0.373 0.344 1.00 74.00 H new ATOM 0 HD12 ILE A 60 -1.217 1.830 0.360 1.00 74.00 H new ATOM 0 HD13 ILE A 60 -0.473 0.218 0.483 1.00 74.00 H new ATOM 1034 N ARG A 61 1.274 1.284 6.243 1.00 64.22 N ATOM 1035 CA ARG A 61 2.543 1.557 6.929 1.00 31.34 C ATOM 1036 C ARG A 61 3.635 0.682 6.300 1.00 75.42 C ATOM 1037 O ARG A 61 3.491 -0.546 6.242 1.00 64.42 O ATOM 1038 CB ARG A 61 2.404 1.285 8.454 1.00 2.41 C ATOM 1039 CG ARG A 61 1.450 2.261 9.168 1.00 64.33 C ATOM 1040 CD ARG A 61 1.386 2.076 10.697 1.00 50.42 C ATOM 1041 NE ARG A 61 0.642 3.182 11.341 1.00 3.12 N ATOM 1042 CZ ARG A 61 0.485 3.353 12.669 1.00 52.12 C ATOM 1043 NH1 ARG A 61 1.004 2.490 13.541 1.00 4.42 N ATOM 1044 NH2 ARG A 61 -0.183 4.411 13.115 1.00 53.40 N ATOM 0 H ARG A 61 0.823 0.420 6.544 1.00 64.22 H new ATOM 0 HA ARG A 61 2.816 2.606 6.813 1.00 31.34 H new ATOM 0 HB2 ARG A 61 2.046 0.266 8.602 1.00 2.41 H new ATOM 0 HB3 ARG A 61 3.389 1.348 8.917 1.00 2.41 H new ATOM 0 HG2 ARG A 61 1.762 3.282 8.949 1.00 64.33 H new ATOM 0 HG3 ARG A 61 0.448 2.139 8.756 1.00 64.33 H new ATOM 0 HD2 ARG A 61 0.905 1.126 10.931 1.00 50.42 H new ATOM 0 HD3 ARG A 61 2.397 2.030 11.103 1.00 50.42 H new ATOM 0 HE ARG A 61 0.211 3.874 10.728 1.00 3.12 H new ATOM 0 HH11 ARG A 61 1.531 1.683 13.208 1.00 4.42 H new ATOM 0 HH12 ARG A 61 0.874 2.636 14.542 1.00 4.42 H new ATOM 0 HH21 ARG A 61 -0.571 5.084 12.455 1.00 53.40 H new ATOM 0 HH22 ARG A 61 -0.308 4.550 14.118 1.00 53.40 H new ATOM 1058 N VAL A 62 4.707 1.328 5.824 1.00 32.54 N ATOM 1059 CA VAL A 62 5.860 0.641 5.223 1.00 51.02 C ATOM 1060 C VAL A 62 6.897 0.410 6.334 1.00 22.35 C ATOM 1061 O VAL A 62 7.203 1.324 7.107 1.00 43.41 O ATOM 1062 CB VAL A 62 6.480 1.490 4.029 1.00 23.44 C ATOM 1063 CG1 VAL A 62 6.959 2.886 4.469 1.00 73.55 C ATOM 1064 CG2 VAL A 62 7.633 0.745 3.338 1.00 65.42 C ATOM 0 H VAL A 62 4.801 2.344 5.844 1.00 32.54 H new ATOM 0 HA VAL A 62 5.546 -0.312 4.796 1.00 51.02 H new ATOM 0 HB VAL A 62 5.666 1.626 3.317 1.00 23.44 H new ATOM 0 HG11 VAL A 62 7.372 3.416 3.611 1.00 73.55 H new ATOM 0 HG12 VAL A 62 6.118 3.449 4.873 1.00 73.55 H new ATOM 0 HG13 VAL A 62 7.727 2.782 5.235 1.00 73.55 H new ATOM 0 HG21 VAL A 62 8.029 1.358 2.529 1.00 65.42 H new ATOM 0 HG22 VAL A 62 8.423 0.545 4.062 1.00 65.42 H new ATOM 0 HG23 VAL A 62 7.266 -0.198 2.933 1.00 65.42 H new ATOM 1074 N LYS A 63 7.406 -0.817 6.463 1.00 1.03 N ATOM 1075 CA LYS A 63 8.409 -1.126 7.486 1.00 3.13 C ATOM 1076 C LYS A 63 9.770 -0.681 6.933 1.00 3.01 C ATOM 1077 O LYS A 63 10.216 -1.167 5.880 1.00 25.13 O ATOM 1078 CB LYS A 63 8.358 -2.640 7.842 1.00 55.11 C ATOM 1079 CG LYS A 63 9.097 -3.077 9.140 1.00 41.34 C ATOM 1080 CD LYS A 63 10.635 -3.139 8.982 1.00 31.12 C ATOM 1081 CE LYS A 63 11.376 -3.470 10.285 1.00 44.35 C ATOM 1082 NZ LYS A 63 12.847 -3.280 10.126 1.00 5.20 N ATOM 0 H LYS A 63 7.143 -1.609 5.876 1.00 1.03 H new ATOM 0 HA LYS A 63 8.218 -0.595 8.419 1.00 3.13 H new ATOM 0 HB2 LYS A 63 7.312 -2.934 7.930 1.00 55.11 H new ATOM 0 HB3 LYS A 63 8.777 -3.201 7.006 1.00 55.11 H new ATOM 0 HG2 LYS A 63 8.850 -2.381 9.942 1.00 41.34 H new ATOM 0 HG3 LYS A 63 8.731 -4.057 9.445 1.00 41.34 H new ATOM 0 HD2 LYS A 63 10.884 -3.889 8.232 1.00 31.12 H new ATOM 0 HD3 LYS A 63 10.992 -2.181 8.605 1.00 31.12 H new ATOM 0 HE2 LYS A 63 11.008 -2.832 11.089 1.00 44.35 H new ATOM 0 HE3 LYS A 63 11.168 -4.500 10.574 1.00 44.35 H new ATOM 0 HZ1 LYS A 63 13.291 -3.208 11.064 1.00 5.20 H new ATOM 0 HZ2 LYS A 63 13.248 -4.091 9.614 1.00 5.20 H new ATOM 0 HZ3 LYS A 63 13.028 -2.408 9.590 1.00 5.20 H new ATOM 1096 N HIS A 64 10.398 0.268 7.647 1.00 20.05 N ATOM 1097 CA HIS A 64 11.682 0.855 7.257 1.00 40.55 C ATOM 1098 C HIS A 64 12.790 -0.175 7.485 1.00 0.33 C ATOM 1099 O HIS A 64 12.858 -0.778 8.565 1.00 15.03 O ATOM 1100 CB HIS A 64 11.986 2.116 8.099 1.00 71.45 C ATOM 1101 CG HIS A 64 10.906 3.159 8.108 1.00 32.05 C ATOM 1102 ND1 HIS A 64 10.517 3.805 9.260 1.00 23.13 N ATOM 1103 CD2 HIS A 64 10.167 3.699 7.110 1.00 13.22 C ATOM 1104 CE1 HIS A 64 9.595 4.687 8.972 1.00 73.20 C ATOM 1105 NE2 HIS A 64 9.359 4.648 7.677 1.00 42.22 N ATOM 0 H HIS A 64 10.023 0.649 8.516 1.00 20.05 H new ATOM 0 HA HIS A 64 11.634 1.138 6.206 1.00 40.55 H new ATOM 0 HB2 HIS A 64 12.179 1.808 9.127 1.00 71.45 H new ATOM 0 HB3 HIS A 64 12.903 2.570 7.724 1.00 71.45 H new ATOM 0 HD1 HIS A 64 10.890 3.624 10.192 1.00 23.13 H new ATOM 0 HD2 HIS A 64 10.207 3.432 6.064 1.00 13.22 H new ATOM 0 HE1 HIS A 64 9.107 5.340 9.680 1.00 73.20 H new ATOM 1114 N SER A 65 13.646 -0.357 6.472 1.00 42.24 N ATOM 1115 CA SER A 65 14.761 -1.310 6.524 1.00 51.11 C ATOM 1116 C SER A 65 15.729 -0.967 7.685 1.00 52.14 C ATOM 1117 O SER A 65 16.105 -1.847 8.470 1.00 43.20 O ATOM 1118 CB SER A 65 15.490 -1.327 5.165 1.00 24.32 C ATOM 1119 OG SER A 65 16.559 -2.258 5.154 1.00 13.41 O ATOM 0 H SER A 65 13.585 0.154 5.591 1.00 42.24 H new ATOM 0 HA SER A 65 14.369 -2.308 6.719 1.00 51.11 H new ATOM 0 HB2 SER A 65 14.782 -1.577 4.375 1.00 24.32 H new ATOM 0 HB3 SER A 65 15.873 -0.331 4.945 1.00 24.32 H new ATOM 0 HG SER A 65 17.412 -1.777 5.189 1.00 13.41 H new ATOM 1125 N ASP A 66 16.064 0.329 7.820 1.00 54.42 N ATOM 1126 CA ASP A 66 17.006 0.831 8.858 1.00 13.31 C ATOM 1127 C ASP A 66 16.725 2.319 9.177 1.00 1.50 C ATOM 1128 O ASP A 66 16.050 2.993 8.403 1.00 72.23 O ATOM 1129 CB ASP A 66 18.470 0.626 8.375 1.00 54.25 C ATOM 1130 CG ASP A 66 19.545 1.144 9.347 1.00 73.11 C ATOM 1131 OD1 ASP A 66 19.848 0.453 10.346 1.00 0.43 O ATOM 1132 OD2 ASP A 66 20.061 2.262 9.131 1.00 53.04 O ATOM 0 H ASP A 66 15.694 1.064 7.217 1.00 54.42 H new ATOM 0 HA ASP A 66 16.860 0.265 9.778 1.00 13.31 H new ATOM 0 HB2 ASP A 66 18.636 -0.438 8.204 1.00 54.25 H new ATOM 0 HB3 ASP A 66 18.595 1.127 7.415 1.00 54.25 H new ATOM 1137 N ALA A 67 17.271 2.795 10.324 1.00 25.25 N ATOM 1138 CA ALA A 67 17.128 4.177 10.832 1.00 24.13 C ATOM 1139 C ALA A 67 17.607 5.241 9.818 1.00 12.24 C ATOM 1140 O ALA A 67 16.909 6.229 9.572 1.00 43.10 O ATOM 1141 CB ALA A 67 17.887 4.314 12.165 1.00 10.33 C ATOM 0 H ALA A 67 17.839 2.209 10.936 1.00 25.25 H new ATOM 0 HA ALA A 67 16.066 4.362 10.990 1.00 24.13 H new ATOM 0 HB1 ALA A 67 17.782 5.332 12.540 1.00 10.33 H new ATOM 0 HB2 ALA A 67 17.474 3.615 12.892 1.00 10.33 H new ATOM 0 HB3 ALA A 67 18.942 4.092 12.007 1.00 10.33 H new ATOM 1147 N ALA A 68 18.800 5.033 9.240 1.00 25.24 N ATOM 1148 CA ALA A 68 19.361 5.944 8.213 1.00 71.12 C ATOM 1149 C ALA A 68 18.579 5.833 6.889 1.00 42.23 C ATOM 1150 O ALA A 68 18.454 6.812 6.141 1.00 74.52 O ATOM 1151 CB ALA A 68 20.851 5.645 7.988 1.00 35.11 C ATOM 0 H ALA A 68 19.402 4.240 9.463 1.00 25.24 H new ATOM 0 HA ALA A 68 19.263 6.967 8.576 1.00 71.12 H new ATOM 0 HB1 ALA A 68 21.248 6.322 7.231 1.00 35.11 H new ATOM 0 HB2 ALA A 68 21.395 5.785 8.922 1.00 35.11 H new ATOM 0 HB3 ALA A 68 20.969 4.615 7.651 1.00 35.11 H new ATOM 1157 N GLU A 69 18.053 4.619 6.629 1.00 15.35 N ATOM 1158 CA GLU A 69 17.278 4.305 5.411 1.00 23.13 C ATOM 1159 C GLU A 69 15.839 4.850 5.464 1.00 4.24 C ATOM 1160 O GLU A 69 15.190 4.892 4.428 1.00 24.35 O ATOM 1161 CB GLU A 69 17.241 2.774 5.158 1.00 62.00 C ATOM 1162 CG GLU A 69 18.608 2.143 4.849 1.00 13.21 C ATOM 1163 CD GLU A 69 18.490 0.676 4.413 1.00 42.15 C ATOM 1164 OE1 GLU A 69 17.981 0.426 3.297 1.00 64.21 O ATOM 1165 OE2 GLU A 69 18.892 -0.230 5.173 1.00 2.22 O ATOM 0 H GLU A 69 18.154 3.825 7.261 1.00 15.35 H new ATOM 0 HA GLU A 69 17.791 4.802 4.588 1.00 23.13 H new ATOM 0 HB2 GLU A 69 16.820 2.284 6.036 1.00 62.00 H new ATOM 0 HB3 GLU A 69 16.566 2.573 4.326 1.00 62.00 H new ATOM 0 HG2 GLU A 69 19.099 2.715 4.062 1.00 13.21 H new ATOM 0 HG3 GLU A 69 19.243 2.207 5.733 1.00 13.21 H new ATOM 1172 N GLU A 70 15.343 5.230 6.664 1.00 0.25 N ATOM 1173 CA GLU A 70 13.935 5.660 6.855 1.00 45.11 C ATOM 1174 C GLU A 70 13.539 6.794 5.896 1.00 54.51 C ATOM 1175 O GLU A 70 12.586 6.655 5.138 1.00 21.23 O ATOM 1176 CB GLU A 70 13.662 6.113 8.319 1.00 25.23 C ATOM 1177 CG GLU A 70 13.827 5.012 9.374 1.00 22.24 C ATOM 1178 CD GLU A 70 13.451 5.467 10.788 1.00 1.03 C ATOM 1179 OE1 GLU A 70 14.220 6.251 11.384 1.00 2.13 O ATOM 1180 OE2 GLU A 70 12.385 5.051 11.303 1.00 63.11 O ATOM 0 H GLU A 70 15.899 5.248 7.519 1.00 0.25 H new ATOM 0 HA GLU A 70 13.325 4.785 6.632 1.00 45.11 H new ATOM 0 HB2 GLU A 70 14.337 6.934 8.562 1.00 25.23 H new ATOM 0 HB3 GLU A 70 12.647 6.506 8.380 1.00 25.23 H new ATOM 0 HG2 GLU A 70 13.208 4.158 9.098 1.00 22.24 H new ATOM 0 HG3 GLU A 70 14.862 4.669 9.373 1.00 22.24 H new ATOM 1187 N LYS A 71 14.318 7.884 5.921 1.00 34.43 N ATOM 1188 CA LYS A 71 14.021 9.115 5.159 1.00 24.41 C ATOM 1189 C LYS A 71 14.129 8.871 3.644 1.00 15.21 C ATOM 1190 O LYS A 71 13.251 9.285 2.873 1.00 13.14 O ATOM 1191 CB LYS A 71 14.988 10.247 5.598 1.00 41.40 C ATOM 1192 CG LYS A 71 14.969 10.525 7.115 1.00 0.43 C ATOM 1193 CD LYS A 71 15.966 11.627 7.539 1.00 44.13 C ATOM 1194 CE LYS A 71 16.027 11.808 9.066 1.00 35.33 C ATOM 1195 NZ LYS A 71 14.711 12.172 9.656 1.00 53.05 N ATOM 0 H LYS A 71 15.175 7.942 6.470 1.00 34.43 H new ATOM 0 HA LYS A 71 12.995 9.416 5.373 1.00 24.41 H new ATOM 0 HB2 LYS A 71 16.002 9.983 5.299 1.00 41.40 H new ATOM 0 HB3 LYS A 71 14.727 11.162 5.067 1.00 41.40 H new ATOM 0 HG2 LYS A 71 13.962 10.819 7.412 1.00 0.43 H new ATOM 0 HG3 LYS A 71 15.203 9.605 7.650 1.00 0.43 H new ATOM 0 HD2 LYS A 71 16.959 11.378 7.166 1.00 44.13 H new ATOM 0 HD3 LYS A 71 15.679 12.571 7.075 1.00 44.13 H new ATOM 0 HE2 LYS A 71 16.382 10.884 9.523 1.00 35.33 H new ATOM 0 HE3 LYS A 71 16.755 12.583 9.307 1.00 35.33 H new ATOM 0 HZ1 LYS A 71 14.821 12.331 10.678 1.00 53.05 H new ATOM 0 HZ2 LYS A 71 14.357 13.041 9.206 1.00 53.05 H new ATOM 0 HZ3 LYS A 71 14.033 11.399 9.497 1.00 53.05 H new ATOM 1209 N LYS A 72 15.204 8.171 3.247 1.00 32.23 N ATOM 1210 CA LYS A 72 15.490 7.858 1.839 1.00 55.15 C ATOM 1211 C LYS A 72 14.389 6.957 1.252 1.00 2.40 C ATOM 1212 O LYS A 72 13.679 7.347 0.319 1.00 73.30 O ATOM 1213 CB LYS A 72 16.888 7.175 1.728 1.00 4.34 C ATOM 1214 CG LYS A 72 17.294 6.773 0.290 1.00 54.33 C ATOM 1215 CD LYS A 72 18.725 6.192 0.188 1.00 51.43 C ATOM 1216 CE LYS A 72 19.818 7.200 0.594 1.00 32.13 C ATOM 1217 NZ LYS A 72 19.773 8.438 -0.227 1.00 72.14 N ATOM 0 H LYS A 72 15.901 7.806 3.896 1.00 32.23 H new ATOM 0 HA LYS A 72 15.506 8.783 1.263 1.00 55.15 H new ATOM 0 HB2 LYS A 72 17.642 7.852 2.129 1.00 4.34 H new ATOM 0 HB3 LYS A 72 16.894 6.284 2.356 1.00 4.34 H new ATOM 0 HG2 LYS A 72 16.584 6.036 -0.086 1.00 54.33 H new ATOM 0 HG3 LYS A 72 17.219 7.647 -0.357 1.00 54.33 H new ATOM 0 HD2 LYS A 72 18.799 5.310 0.824 1.00 51.43 H new ATOM 0 HD3 LYS A 72 18.905 5.863 -0.835 1.00 51.43 H new ATOM 0 HE2 LYS A 72 19.698 7.459 1.646 1.00 32.13 H new ATOM 0 HE3 LYS A 72 20.797 6.733 0.490 1.00 32.13 H new ATOM 0 HZ1 LYS A 72 20.595 9.034 -0.001 1.00 72.14 H new ATOM 0 HZ2 LYS A 72 19.794 8.186 -1.236 1.00 72.14 H new ATOM 0 HZ3 LYS A 72 18.898 8.961 -0.019 1.00 72.14 H new ATOM 1231 N GLU A 73 14.219 5.781 1.867 1.00 71.04 N ATOM 1232 CA GLU A 73 13.343 4.721 1.357 1.00 62.01 C ATOM 1233 C GLU A 73 11.851 5.022 1.549 1.00 13.24 C ATOM 1234 O GLU A 73 11.046 4.427 0.855 1.00 4.52 O ATOM 1235 CB GLU A 73 13.706 3.355 1.993 1.00 50.33 C ATOM 1236 CG GLU A 73 15.118 2.845 1.644 1.00 12.24 C ATOM 1237 CD GLU A 73 15.403 2.778 0.123 1.00 51.44 C ATOM 1238 OE1 GLU A 73 14.556 2.261 -0.643 1.00 25.54 O ATOM 1239 OE2 GLU A 73 16.476 3.246 -0.320 1.00 61.42 O ATOM 0 H GLU A 73 14.689 5.537 2.739 1.00 71.04 H new ATOM 0 HA GLU A 73 13.515 4.675 0.282 1.00 62.01 H new ATOM 0 HB2 GLU A 73 13.621 3.438 3.076 1.00 50.33 H new ATOM 0 HB3 GLU A 73 12.975 2.613 1.672 1.00 50.33 H new ATOM 0 HG2 GLU A 73 15.855 3.496 2.113 1.00 12.24 H new ATOM 0 HG3 GLU A 73 15.251 1.852 2.073 1.00 12.24 H new ATOM 1246 N ALA A 74 11.473 5.921 2.475 1.00 14.15 N ATOM 1247 CA ALA A 74 10.054 6.316 2.631 1.00 31.31 C ATOM 1248 C ALA A 74 9.632 7.193 1.446 1.00 21.31 C ATOM 1249 O ALA A 74 8.547 7.024 0.901 1.00 14.21 O ATOM 1250 CB ALA A 74 9.811 7.043 3.961 1.00 50.52 C ATOM 0 H ALA A 74 12.115 6.383 3.119 1.00 14.15 H new ATOM 0 HA ALA A 74 9.445 5.412 2.645 1.00 31.31 H new ATOM 0 HB1 ALA A 74 8.759 7.317 4.039 1.00 50.52 H new ATOM 0 HB2 ALA A 74 10.077 6.386 4.789 1.00 50.52 H new ATOM 0 HB3 ALA A 74 10.424 7.943 4.001 1.00 50.52 H new ATOM 1256 N LYS A 75 10.521 8.137 1.075 1.00 4.21 N ATOM 1257 CA LYS A 75 10.346 9.029 -0.094 1.00 4.03 C ATOM 1258 C LYS A 75 10.366 8.237 -1.427 1.00 45.43 C ATOM 1259 O LYS A 75 9.600 8.539 -2.355 1.00 24.43 O ATOM 1260 CB LYS A 75 11.450 10.127 -0.073 1.00 34.41 C ATOM 1261 CG LYS A 75 11.327 11.201 -1.182 1.00 14.41 C ATOM 1262 CD LYS A 75 12.427 12.287 -1.087 1.00 52.55 C ATOM 1263 CE LYS A 75 12.287 13.372 -2.169 1.00 43.30 C ATOM 1264 NZ LYS A 75 12.378 12.813 -3.541 1.00 73.02 N ATOM 0 H LYS A 75 11.390 8.305 1.582 1.00 4.21 H new ATOM 0 HA LYS A 75 9.367 9.504 -0.028 1.00 4.03 H new ATOM 0 HB2 LYS A 75 11.428 10.624 0.897 1.00 34.41 H new ATOM 0 HB3 LYS A 75 12.423 9.644 -0.162 1.00 34.41 H new ATOM 0 HG2 LYS A 75 11.382 10.718 -2.158 1.00 14.41 H new ATOM 0 HG3 LYS A 75 10.348 11.675 -1.116 1.00 14.41 H new ATOM 0 HD2 LYS A 75 12.386 12.754 -0.103 1.00 52.55 H new ATOM 0 HD3 LYS A 75 13.406 11.815 -1.176 1.00 52.55 H new ATOM 0 HE2 LYS A 75 11.331 13.881 -2.049 1.00 43.30 H new ATOM 0 HE3 LYS A 75 13.066 14.122 -2.032 1.00 43.30 H new ATOM 0 HZ1 LYS A 75 12.398 13.590 -4.232 1.00 73.02 H new ATOM 0 HZ2 LYS A 75 13.247 12.249 -3.629 1.00 73.02 H new ATOM 0 HZ3 LYS A 75 11.553 12.207 -3.725 1.00 73.02 H new ATOM 1278 N LYS A 76 11.235 7.210 -1.499 1.00 53.51 N ATOM 1279 CA LYS A 76 11.342 6.322 -2.683 1.00 22.43 C ATOM 1280 C LYS A 76 10.111 5.412 -2.790 1.00 60.12 C ATOM 1281 O LYS A 76 9.524 5.272 -3.867 1.00 20.45 O ATOM 1282 CB LYS A 76 12.639 5.470 -2.608 1.00 2.34 C ATOM 1283 CG LYS A 76 13.930 6.303 -2.739 1.00 2.44 C ATOM 1284 CD LYS A 76 15.238 5.511 -2.492 1.00 64.43 C ATOM 1285 CE LYS A 76 15.581 4.468 -3.571 1.00 32.24 C ATOM 1286 NZ LYS A 76 14.719 3.257 -3.491 1.00 51.52 N ATOM 0 H LYS A 76 11.880 6.970 -0.746 1.00 53.51 H new ATOM 0 HA LYS A 76 11.387 6.946 -3.575 1.00 22.43 H new ATOM 0 HB2 LYS A 76 12.657 4.933 -1.660 1.00 2.34 H new ATOM 0 HB3 LYS A 76 12.618 4.720 -3.399 1.00 2.34 H new ATOM 0 HG2 LYS A 76 13.967 6.737 -3.738 1.00 2.44 H new ATOM 0 HG3 LYS A 76 13.884 7.132 -2.033 1.00 2.44 H new ATOM 0 HD2 LYS A 76 16.064 6.218 -2.416 1.00 64.43 H new ATOM 0 HD3 LYS A 76 15.162 5.005 -1.530 1.00 64.43 H new ATOM 0 HE2 LYS A 76 15.474 4.921 -4.556 1.00 32.24 H new ATOM 0 HE3 LYS A 76 16.625 4.174 -3.468 1.00 32.24 H new ATOM 0 HZ1 LYS A 76 15.279 2.415 -3.734 1.00 51.52 H new ATOM 0 HZ2 LYS A 76 14.348 3.158 -2.525 1.00 51.52 H new ATOM 0 HZ3 LYS A 76 13.927 3.350 -4.158 1.00 51.52 H new ATOM 1300 N PHE A 77 9.696 4.840 -1.646 1.00 10.10 N ATOM 1301 CA PHE A 77 8.574 3.884 -1.580 1.00 41.43 C ATOM 1302 C PHE A 77 7.241 4.640 -1.673 1.00 3.51 C ATOM 1303 O PHE A 77 6.209 4.043 -1.939 1.00 75.44 O ATOM 1304 CB PHE A 77 8.652 2.997 -0.298 1.00 22.44 C ATOM 1305 CG PHE A 77 8.147 1.569 -0.490 1.00 35.40 C ATOM 1306 CD1 PHE A 77 8.990 0.587 -1.028 1.00 53.14 C ATOM 1307 CD2 PHE A 77 6.844 1.206 -0.153 1.00 5.33 C ATOM 1308 CE1 PHE A 77 8.540 -0.710 -1.201 1.00 30.45 C ATOM 1309 CE2 PHE A 77 6.400 -0.091 -0.327 1.00 13.11 C ATOM 1310 CZ PHE A 77 7.244 -1.044 -0.856 1.00 1.11 C ATOM 0 H PHE A 77 10.128 5.027 -0.741 1.00 10.10 H new ATOM 0 HA PHE A 77 8.643 3.205 -2.430 1.00 41.43 H new ATOM 0 HB2 PHE A 77 9.687 2.961 0.042 1.00 22.44 H new ATOM 0 HB3 PHE A 77 8.072 3.472 0.494 1.00 22.44 H new ATOM 0 HD1 PHE A 77 10.000 0.845 -1.310 1.00 53.14 H new ATOM 0 HD2 PHE A 77 6.172 1.949 0.250 1.00 5.33 H new ATOM 0 HE1 PHE A 77 9.202 -1.462 -1.606 1.00 30.45 H new ATOM 0 HE2 PHE A 77 5.391 -0.358 -0.048 1.00 13.11 H new ATOM 0 HZ PHE A 77 6.892 -2.054 -1.001 1.00 1.11 H new ATOM 1320 N ALA A 78 7.286 5.958 -1.402 1.00 51.31 N ATOM 1321 CA ALA A 78 6.160 6.874 -1.649 1.00 75.43 C ATOM 1322 C ALA A 78 5.820 6.892 -3.144 1.00 72.11 C ATOM 1323 O ALA A 78 4.657 6.775 -3.518 1.00 44.22 O ATOM 1324 CB ALA A 78 6.497 8.290 -1.156 1.00 30.34 C ATOM 0 H ALA A 78 8.106 6.417 -1.005 1.00 51.31 H new ATOM 0 HA ALA A 78 5.291 6.519 -1.094 1.00 75.43 H new ATOM 0 HB1 ALA A 78 5.653 8.952 -1.347 1.00 30.34 H new ATOM 0 HB2 ALA A 78 6.702 8.263 -0.086 1.00 30.34 H new ATOM 0 HB3 ALA A 78 7.375 8.660 -1.685 1.00 30.34 H new ATOM 1330 N ALA A 79 6.875 7.002 -3.979 1.00 44.20 N ATOM 1331 CA ALA A 79 6.759 7.001 -5.450 1.00 54.03 C ATOM 1332 C ALA A 79 6.433 5.589 -5.989 1.00 25.01 C ATOM 1333 O ALA A 79 5.735 5.462 -6.998 1.00 34.33 O ATOM 1334 CB ALA A 79 8.057 7.546 -6.071 1.00 43.23 C ATOM 0 H ALA A 79 7.835 7.094 -3.648 1.00 44.20 H new ATOM 0 HA ALA A 79 5.931 7.651 -5.735 1.00 54.03 H new ATOM 0 HB1 ALA A 79 7.969 7.544 -7.157 1.00 43.23 H new ATOM 0 HB2 ALA A 79 8.228 8.565 -5.722 1.00 43.23 H new ATOM 0 HB3 ALA A 79 8.895 6.916 -5.774 1.00 43.23 H new ATOM 1340 N ILE A 80 6.949 4.535 -5.303 1.00 25.34 N ATOM 1341 CA ILE A 80 6.634 3.122 -5.631 1.00 55.23 C ATOM 1342 C ILE A 80 5.132 2.863 -5.432 1.00 55.42 C ATOM 1343 O ILE A 80 4.443 2.446 -6.368 1.00 40.02 O ATOM 1344 CB ILE A 80 7.475 2.097 -4.761 1.00 74.02 C ATOM 1345 CG1 ILE A 80 9.004 2.261 -5.015 1.00 73.12 C ATOM 1346 CG2 ILE A 80 7.045 0.627 -4.993 1.00 23.44 C ATOM 1347 CD1 ILE A 80 9.449 2.089 -6.461 1.00 42.43 C ATOM 0 H ILE A 80 7.588 4.641 -4.515 1.00 25.34 H new ATOM 0 HA ILE A 80 6.906 2.963 -6.674 1.00 55.23 H new ATOM 0 HB ILE A 80 7.265 2.336 -3.718 1.00 74.02 H new ATOM 0 HG12 ILE A 80 9.307 3.251 -4.675 1.00 73.12 H new ATOM 0 HG13 ILE A 80 9.537 1.536 -4.400 1.00 73.12 H new ATOM 0 HG21 ILE A 80 7.653 -0.032 -4.373 1.00 23.44 H new ATOM 0 HG22 ILE A 80 5.995 0.509 -4.727 1.00 23.44 H new ATOM 0 HG23 ILE A 80 7.185 0.368 -6.043 1.00 23.44 H new ATOM 0 HD11 ILE A 80 10.529 2.223 -6.528 1.00 42.43 H new ATOM 0 HD12 ILE A 80 9.185 1.089 -6.806 1.00 42.43 H new ATOM 0 HD13 ILE A 80 8.952 2.831 -7.085 1.00 42.43 H new ATOM 1359 N LEU A 81 4.635 3.185 -4.216 1.00 45.55 N ATOM 1360 CA LEU A 81 3.221 3.010 -3.835 1.00 45.20 C ATOM 1361 C LEU A 81 2.313 3.843 -4.754 1.00 52.10 C ATOM 1362 O LEU A 81 1.322 3.332 -5.258 1.00 42.44 O ATOM 1363 CB LEU A 81 2.992 3.414 -2.336 1.00 32.35 C ATOM 1364 CG LEU A 81 3.396 2.351 -1.260 1.00 34.25 C ATOM 1365 CD1 LEU A 81 3.326 2.939 0.172 1.00 45.43 C ATOM 1366 CD2 LEU A 81 2.520 1.082 -1.377 1.00 2.41 C ATOM 0 H LEU A 81 5.210 3.576 -3.469 1.00 45.55 H new ATOM 0 HA LEU A 81 2.966 1.956 -3.949 1.00 45.20 H new ATOM 0 HB2 LEU A 81 3.551 4.329 -2.139 1.00 32.35 H new ATOM 0 HB3 LEU A 81 1.936 3.651 -2.203 1.00 32.35 H new ATOM 0 HG LEU A 81 4.431 2.068 -1.452 1.00 34.25 H new ATOM 0 HD11 LEU A 81 3.613 2.174 0.894 1.00 45.43 H new ATOM 0 HD12 LEU A 81 4.007 3.786 0.251 1.00 45.43 H new ATOM 0 HD13 LEU A 81 2.309 3.271 0.380 1.00 45.43 H new ATOM 0 HD21 LEU A 81 2.822 0.360 -0.618 1.00 2.41 H new ATOM 0 HD22 LEU A 81 1.473 1.348 -1.229 1.00 2.41 H new ATOM 0 HD23 LEU A 81 2.647 0.642 -2.366 1.00 2.41 H new ATOM 1378 N ASN A 82 2.713 5.109 -4.997 1.00 54.04 N ATOM 1379 CA ASN A 82 1.916 6.086 -5.778 1.00 33.45 C ATOM 1380 C ASN A 82 1.762 5.620 -7.240 1.00 25.00 C ATOM 1381 O ASN A 82 0.716 5.833 -7.867 1.00 13.53 O ATOM 1382 CB ASN A 82 2.564 7.502 -5.688 1.00 24.20 C ATOM 1383 CG ASN A 82 1.749 8.632 -6.335 1.00 11.11 C ATOM 1384 OD1 ASN A 82 0.527 8.563 -6.452 1.00 63.34 O ATOM 1385 ND2 ASN A 82 2.425 9.702 -6.727 1.00 73.43 N ATOM 0 H ASN A 82 3.598 5.486 -4.658 1.00 54.04 H new ATOM 0 HA ASN A 82 0.915 6.148 -5.351 1.00 33.45 H new ATOM 0 HB2 ASN A 82 2.724 7.746 -4.638 1.00 24.20 H new ATOM 0 HB3 ASN A 82 3.546 7.466 -6.160 1.00 24.20 H new ATOM 0 HD21 ASN A 82 1.932 10.495 -7.137 1.00 73.43 H new ATOM 0 HD22 ASN A 82 3.439 9.733 -6.618 1.00 73.43 H new ATOM 1392 N LYS A 83 2.804 4.945 -7.761 1.00 71.23 N ATOM 1393 CA LYS A 83 2.757 4.329 -9.096 1.00 64.32 C ATOM 1394 C LYS A 83 1.872 3.070 -9.105 1.00 65.15 C ATOM 1395 O LYS A 83 1.202 2.829 -10.087 1.00 70.35 O ATOM 1396 CB LYS A 83 4.186 4.018 -9.634 1.00 45.50 C ATOM 1397 CG LYS A 83 4.902 5.236 -10.263 1.00 44.31 C ATOM 1398 CD LYS A 83 4.138 5.776 -11.497 1.00 33.22 C ATOM 1399 CE LYS A 83 4.835 6.969 -12.161 1.00 10.24 C ATOM 1400 NZ LYS A 83 6.153 6.604 -12.746 1.00 63.24 N ATOM 0 H LYS A 83 3.690 4.813 -7.274 1.00 71.23 H new ATOM 0 HA LYS A 83 2.304 5.055 -9.771 1.00 64.32 H new ATOM 0 HB2 LYS A 83 4.795 3.634 -8.816 1.00 45.50 H new ATOM 0 HB3 LYS A 83 4.118 3.225 -10.379 1.00 45.50 H new ATOM 0 HG2 LYS A 83 4.996 6.027 -9.519 1.00 44.31 H new ATOM 0 HG3 LYS A 83 5.913 4.952 -10.556 1.00 44.31 H new ATOM 0 HD2 LYS A 83 4.027 4.975 -12.228 1.00 33.22 H new ATOM 0 HD3 LYS A 83 3.134 6.072 -11.194 1.00 33.22 H new ATOM 0 HE2 LYS A 83 4.192 7.372 -12.944 1.00 10.24 H new ATOM 0 HE3 LYS A 83 4.974 7.760 -11.425 1.00 10.24 H new ATOM 0 HZ1 LYS A 83 6.545 7.422 -13.256 1.00 63.24 H new ATOM 0 HZ2 LYS A 83 6.805 6.325 -11.985 1.00 63.24 H new ATOM 0 HZ3 LYS A 83 6.032 5.810 -13.407 1.00 63.24 H new ATOM 1414 N VAL A 84 1.866 2.293 -8.005 1.00 34.32 N ATOM 1415 CA VAL A 84 1.009 1.083 -7.868 1.00 11.11 C ATOM 1416 C VAL A 84 -0.480 1.476 -7.818 1.00 35.33 C ATOM 1417 O VAL A 84 -1.351 0.775 -8.353 1.00 73.42 O ATOM 1418 CB VAL A 84 1.399 0.260 -6.586 1.00 11.54 C ATOM 1419 CG1 VAL A 84 0.426 -0.913 -6.325 1.00 32.21 C ATOM 1420 CG2 VAL A 84 2.846 -0.248 -6.704 1.00 64.54 C ATOM 0 H VAL A 84 2.448 2.478 -7.188 1.00 34.32 H new ATOM 0 HA VAL A 84 1.174 0.453 -8.742 1.00 11.11 H new ATOM 0 HB VAL A 84 1.324 0.930 -5.729 1.00 11.54 H new ATOM 0 HG11 VAL A 84 0.737 -1.451 -5.430 1.00 32.21 H new ATOM 0 HG12 VAL A 84 -0.582 -0.525 -6.183 1.00 32.21 H new ATOM 0 HG13 VAL A 84 0.437 -1.591 -7.178 1.00 32.21 H new ATOM 0 HG21 VAL A 84 3.106 -0.817 -5.811 1.00 64.54 H new ATOM 0 HG22 VAL A 84 2.936 -0.889 -7.581 1.00 64.54 H new ATOM 0 HG23 VAL A 84 3.523 0.601 -6.803 1.00 64.54 H new ATOM 1430 N PHE A 85 -0.740 2.613 -7.167 1.00 61.44 N ATOM 1431 CA PHE A 85 -2.066 3.228 -7.130 1.00 31.22 C ATOM 1432 C PHE A 85 -2.497 3.619 -8.562 1.00 53.42 C ATOM 1433 O PHE A 85 -3.609 3.307 -8.986 1.00 33.15 O ATOM 1434 CB PHE A 85 -2.081 4.430 -6.139 1.00 30.15 C ATOM 1435 CG PHE A 85 -1.808 4.030 -4.676 1.00 65.22 C ATOM 1436 CD1 PHE A 85 -2.408 2.898 -4.114 1.00 35.30 C ATOM 1437 CD2 PHE A 85 -0.943 4.768 -3.871 1.00 30.11 C ATOM 1438 CE1 PHE A 85 -2.142 2.528 -2.806 1.00 31.31 C ATOM 1439 CE2 PHE A 85 -0.681 4.399 -2.567 1.00 3.40 C ATOM 1440 CZ PHE A 85 -1.277 3.276 -2.038 1.00 50.13 C ATOM 0 H PHE A 85 -0.032 3.134 -6.649 1.00 61.44 H new ATOM 0 HA PHE A 85 -2.799 2.513 -6.756 1.00 31.22 H new ATOM 0 HB2 PHE A 85 -1.333 5.158 -6.453 1.00 30.15 H new ATOM 0 HB3 PHE A 85 -3.051 4.925 -6.196 1.00 30.15 H new ATOM 0 HD1 PHE A 85 -3.088 2.305 -4.708 1.00 35.30 H new ATOM 0 HD2 PHE A 85 -0.467 5.649 -4.276 1.00 30.11 H new ATOM 0 HE1 PHE A 85 -2.614 1.651 -2.387 1.00 31.31 H new ATOM 0 HE2 PHE A 85 -0.009 4.990 -1.962 1.00 3.40 H new ATOM 0 HZ PHE A 85 -1.066 2.982 -1.021 1.00 50.13 H new ATOM 1450 N ALA A 86 -1.564 4.199 -9.333 1.00 54.14 N ATOM 1451 CA ALA A 86 -1.799 4.549 -10.751 1.00 12.12 C ATOM 1452 C ALA A 86 -1.913 3.277 -11.640 1.00 74.34 C ATOM 1453 O ALA A 86 -2.617 3.289 -12.650 1.00 34.32 O ATOM 1454 CB ALA A 86 -0.683 5.488 -11.249 1.00 1.53 C ATOM 0 H ALA A 86 -0.631 4.439 -8.999 1.00 54.14 H new ATOM 0 HA ALA A 86 -2.752 5.073 -10.826 1.00 12.12 H new ATOM 0 HB1 ALA A 86 -0.861 5.743 -12.294 1.00 1.53 H new ATOM 0 HB2 ALA A 86 -0.679 6.398 -10.649 1.00 1.53 H new ATOM 0 HB3 ALA A 86 0.281 4.988 -11.157 1.00 1.53 H new ATOM 1460 N GLU A 87 -1.237 2.177 -11.226 1.00 73.11 N ATOM 1461 CA GLU A 87 -1.274 0.866 -11.923 1.00 70.23 C ATOM 1462 C GLU A 87 -2.690 0.256 -11.870 1.00 34.02 C ATOM 1463 O GLU A 87 -3.129 -0.402 -12.815 1.00 33.24 O ATOM 1464 CB GLU A 87 -0.279 -0.152 -11.271 1.00 31.11 C ATOM 1465 CG GLU A 87 1.232 0.091 -11.504 1.00 31.32 C ATOM 1466 CD GLU A 87 1.700 -0.193 -12.939 1.00 41.13 C ATOM 1467 OE1 GLU A 87 1.532 -1.337 -13.408 1.00 55.21 O ATOM 1468 OE2 GLU A 87 2.261 0.714 -13.590 1.00 41.41 O ATOM 0 H GLU A 87 -0.647 2.174 -10.394 1.00 73.11 H new ATOM 0 HA GLU A 87 -0.984 1.049 -12.958 1.00 70.23 H new ATOM 0 HB2 GLU A 87 -0.459 -0.159 -10.196 1.00 31.11 H new ATOM 0 HB3 GLU A 87 -0.523 -1.148 -11.642 1.00 31.11 H new ATOM 0 HG2 GLU A 87 1.465 1.127 -11.256 1.00 31.32 H new ATOM 0 HG3 GLU A 87 1.800 -0.537 -10.817 1.00 31.32 H new ATOM 1475 N LEU A 88 -3.401 0.487 -10.753 1.00 11.40 N ATOM 1476 CA LEU A 88 -4.677 -0.194 -10.457 1.00 73.41 C ATOM 1477 C LEU A 88 -5.893 0.749 -10.614 1.00 21.14 C ATOM 1478 O LEU A 88 -7.037 0.295 -10.506 1.00 51.30 O ATOM 1479 CB LEU A 88 -4.633 -0.800 -9.028 1.00 70.23 C ATOM 1480 CG LEU A 88 -3.517 -1.864 -8.758 1.00 11.32 C ATOM 1481 CD1 LEU A 88 -3.646 -2.449 -7.339 1.00 74.11 C ATOM 1482 CD2 LEU A 88 -3.519 -2.984 -9.824 1.00 72.24 C ATOM 0 H LEU A 88 -3.111 1.147 -10.032 1.00 11.40 H new ATOM 0 HA LEU A 88 -4.802 -0.995 -11.185 1.00 73.41 H new ATOM 0 HB2 LEU A 88 -4.508 0.015 -8.315 1.00 70.23 H new ATOM 0 HB3 LEU A 88 -5.600 -1.259 -8.821 1.00 70.23 H new ATOM 0 HG LEU A 88 -2.557 -1.353 -8.829 1.00 11.32 H new ATOM 0 HD11 LEU A 88 -2.859 -3.186 -7.176 1.00 74.11 H new ATOM 0 HD12 LEU A 88 -3.551 -1.648 -6.605 1.00 74.11 H new ATOM 0 HD13 LEU A 88 -4.619 -2.927 -7.230 1.00 74.11 H new ATOM 0 HD21 LEU A 88 -2.730 -3.701 -9.600 1.00 72.24 H new ATOM 0 HD22 LEU A 88 -4.484 -3.492 -9.817 1.00 72.24 H new ATOM 0 HD23 LEU A 88 -3.345 -2.550 -10.808 1.00 72.24 H new ATOM 1494 N GLY A 89 -5.639 2.049 -10.851 1.00 33.31 N ATOM 1495 CA GLY A 89 -6.710 3.026 -11.102 1.00 23.13 C ATOM 1496 C GLY A 89 -7.174 3.751 -9.839 1.00 34.24 C ATOM 1497 O GLY A 89 -8.360 3.728 -9.482 1.00 52.42 O ATOM 0 H GLY A 89 -4.700 2.446 -10.874 1.00 33.31 H new ATOM 0 HA2 GLY A 89 -6.360 3.761 -11.827 1.00 23.13 H new ATOM 0 HA3 GLY A 89 -7.561 2.515 -11.553 1.00 23.13 H new ATOM 1501 N TYR A 90 -6.214 4.363 -9.147 1.00 52.40 N ATOM 1502 CA TYR A 90 -6.457 5.301 -8.038 1.00 51.15 C ATOM 1503 C TYR A 90 -5.870 6.654 -8.464 1.00 73.24 C ATOM 1504 O TYR A 90 -4.845 6.695 -9.163 1.00 64.44 O ATOM 1505 CB TYR A 90 -5.767 4.863 -6.712 1.00 64.21 C ATOM 1506 CG TYR A 90 -6.135 3.473 -6.156 1.00 63.15 C ATOM 1507 CD1 TYR A 90 -5.485 2.324 -6.613 1.00 71.12 C ATOM 1508 CD2 TYR A 90 -7.095 3.311 -5.146 1.00 3.32 C ATOM 1509 CE1 TYR A 90 -5.769 1.079 -6.101 1.00 64.11 C ATOM 1510 CE2 TYR A 90 -7.385 2.055 -4.633 1.00 24.25 C ATOM 1511 CZ TYR A 90 -6.714 0.945 -5.119 1.00 21.42 C ATOM 1512 OH TYR A 90 -6.987 -0.308 -4.623 1.00 33.33 O ATOM 0 H TYR A 90 -5.223 4.221 -9.341 1.00 52.40 H new ATOM 0 HA TYR A 90 -7.529 5.341 -7.844 1.00 51.15 H new ATOM 0 HB2 TYR A 90 -4.688 4.891 -6.866 1.00 64.21 H new ATOM 0 HB3 TYR A 90 -5.999 5.605 -5.948 1.00 64.21 H new ATOM 0 HD1 TYR A 90 -4.740 2.415 -7.389 1.00 71.12 H new ATOM 0 HD2 TYR A 90 -7.616 4.176 -4.762 1.00 3.32 H new ATOM 0 HE1 TYR A 90 -5.248 0.209 -6.473 1.00 64.11 H new ATOM 0 HE2 TYR A 90 -8.130 1.943 -3.859 1.00 24.25 H new ATOM 0 HH TYR A 90 -7.733 -0.254 -3.990 1.00 33.33 H new ATOM 1522 N ASN A 91 -6.512 7.745 -8.041 1.00 34.33 N ATOM 1523 CA ASN A 91 -6.049 9.112 -8.336 1.00 4.22 C ATOM 1524 C ASN A 91 -4.858 9.479 -7.431 1.00 24.20 C ATOM 1525 O ASN A 91 -4.657 8.861 -6.374 1.00 63.23 O ATOM 1526 CB ASN A 91 -7.221 10.109 -8.141 1.00 12.53 C ATOM 1527 CG ASN A 91 -8.426 9.766 -9.026 1.00 51.25 C ATOM 1528 OD1 ASN A 91 -9.282 8.963 -8.647 1.00 32.31 O ATOM 1529 ND2 ASN A 91 -8.510 10.364 -10.203 1.00 22.40 N ATOM 0 H ASN A 91 -7.366 7.711 -7.485 1.00 34.33 H new ATOM 0 HA ASN A 91 -5.713 9.165 -9.371 1.00 4.22 H new ATOM 0 HB2 ASN A 91 -7.528 10.106 -7.095 1.00 12.53 H new ATOM 0 HB3 ASN A 91 -6.879 11.118 -8.370 1.00 12.53 H new ATOM 0 HD21 ASN A 91 -9.297 10.165 -10.821 1.00 22.40 H new ATOM 0 HD22 ASN A 91 -7.788 11.024 -10.492 1.00 22.40 H new ATOM 1536 N ASP A 92 -4.058 10.470 -7.861 1.00 41.43 N ATOM 1537 CA ASP A 92 -2.917 10.993 -7.076 1.00 63.21 C ATOM 1538 C ASP A 92 -3.419 11.663 -5.781 1.00 44.30 C ATOM 1539 O ASP A 92 -2.781 11.574 -4.732 1.00 63.11 O ATOM 1540 CB ASP A 92 -2.111 12.000 -7.944 1.00 2.01 C ATOM 1541 CG ASP A 92 -0.824 12.511 -7.271 1.00 71.03 C ATOM 1542 OD1 ASP A 92 0.195 11.784 -7.288 1.00 63.30 O ATOM 1543 OD2 ASP A 92 -0.816 13.641 -6.727 1.00 3.20 O ATOM 0 H ASP A 92 -4.181 10.933 -8.761 1.00 41.43 H new ATOM 0 HA ASP A 92 -2.263 10.168 -6.794 1.00 63.21 H new ATOM 0 HB2 ASP A 92 -1.851 11.523 -8.889 1.00 2.01 H new ATOM 0 HB3 ASP A 92 -2.748 12.852 -8.181 1.00 2.01 H new ATOM 1548 N SER A 93 -4.585 12.321 -5.904 1.00 31.32 N ATOM 1549 CA SER A 93 -5.324 12.945 -4.791 1.00 72.12 C ATOM 1550 C SER A 93 -5.546 11.982 -3.597 1.00 11.05 C ATOM 1551 O SER A 93 -5.513 12.412 -2.439 1.00 52.43 O ATOM 1552 CB SER A 93 -6.680 13.439 -5.322 1.00 63.12 C ATOM 1553 OG SER A 93 -6.503 14.268 -6.458 1.00 41.41 O ATOM 0 H SER A 93 -5.052 12.437 -6.803 1.00 31.32 H new ATOM 0 HA SER A 93 -4.724 13.773 -4.413 1.00 72.12 H new ATOM 0 HB2 SER A 93 -7.306 12.586 -5.583 1.00 63.12 H new ATOM 0 HB3 SER A 93 -7.202 13.991 -4.541 1.00 63.12 H new ATOM 0 HG SER A 93 -7.377 14.570 -6.782 1.00 41.41 H new ATOM 1559 N ASN A 94 -5.759 10.688 -3.909 1.00 55.54 N ATOM 1560 CA ASN A 94 -5.981 9.618 -2.907 1.00 75.03 C ATOM 1561 C ASN A 94 -4.781 9.507 -1.942 1.00 5.44 C ATOM 1562 O ASN A 94 -4.957 9.330 -0.738 1.00 4.35 O ATOM 1563 CB ASN A 94 -6.192 8.241 -3.613 1.00 75.53 C ATOM 1564 CG ASN A 94 -7.394 8.182 -4.565 1.00 22.13 C ATOM 1565 OD1 ASN A 94 -7.871 9.199 -5.065 1.00 3.41 O ATOM 1566 ND2 ASN A 94 -7.861 6.976 -4.861 1.00 53.53 N ATOM 0 H ASN A 94 -5.783 10.350 -4.871 1.00 55.54 H new ATOM 0 HA ASN A 94 -6.874 9.880 -2.340 1.00 75.03 H new ATOM 0 HB2 ASN A 94 -5.290 7.994 -4.174 1.00 75.53 H new ATOM 0 HB3 ASN A 94 -6.313 7.472 -2.850 1.00 75.53 H new ATOM 0 HD21 ASN A 94 -8.635 6.876 -5.518 1.00 53.53 H new ATOM 0 HD22 ASN A 94 -7.446 6.149 -4.431 1.00 53.53 H new ATOM 1573 N VAL A 95 -3.574 9.684 -2.494 1.00 21.54 N ATOM 1574 CA VAL A 95 -2.301 9.409 -1.806 1.00 54.35 C ATOM 1575 C VAL A 95 -1.909 10.626 -0.942 1.00 34.41 C ATOM 1576 O VAL A 95 -1.624 11.695 -1.486 1.00 50.33 O ATOM 1577 CB VAL A 95 -1.158 9.117 -2.863 1.00 11.52 C ATOM 1578 CG1 VAL A 95 0.139 8.592 -2.192 1.00 1.53 C ATOM 1579 CG2 VAL A 95 -1.662 8.158 -3.967 1.00 22.00 C ATOM 0 H VAL A 95 -3.450 10.028 -3.446 1.00 21.54 H new ATOM 0 HA VAL A 95 -2.424 8.533 -1.170 1.00 54.35 H new ATOM 0 HB VAL A 95 -0.899 10.064 -3.335 1.00 11.52 H new ATOM 0 HG11 VAL A 95 0.894 8.406 -2.956 1.00 1.53 H new ATOM 0 HG12 VAL A 95 0.511 9.336 -1.488 1.00 1.53 H new ATOM 0 HG13 VAL A 95 -0.076 7.665 -1.661 1.00 1.53 H new ATOM 0 HG21 VAL A 95 -0.860 7.972 -4.681 1.00 22.00 H new ATOM 0 HG22 VAL A 95 -1.972 7.215 -3.516 1.00 22.00 H new ATOM 0 HG23 VAL A 95 -2.509 8.610 -4.482 1.00 22.00 H new ATOM 1589 N THR A 96 -1.972 10.484 0.396 1.00 31.25 N ATOM 1590 CA THR A 96 -1.504 11.523 1.335 1.00 42.32 C ATOM 1591 C THR A 96 -0.761 10.869 2.516 1.00 42.33 C ATOM 1592 O THR A 96 -1.369 10.133 3.294 1.00 32.03 O ATOM 1593 CB THR A 96 -2.703 12.384 1.872 1.00 12.33 C ATOM 1594 OG1 THR A 96 -3.448 12.948 0.774 1.00 24.34 O ATOM 1595 CG2 THR A 96 -2.222 13.522 2.798 1.00 24.13 C ATOM 0 H THR A 96 -2.346 9.653 0.854 1.00 31.25 H new ATOM 0 HA THR A 96 -0.823 12.183 0.797 1.00 42.32 H new ATOM 0 HB THR A 96 -3.344 11.718 2.450 1.00 12.33 H new ATOM 0 HG1 THR A 96 -4.193 13.481 1.123 1.00 24.34 H new ATOM 0 HG21 THR A 96 -3.081 14.094 3.148 1.00 24.13 H new ATOM 0 HG22 THR A 96 -1.696 13.098 3.653 1.00 24.13 H new ATOM 0 HG23 THR A 96 -1.549 14.179 2.247 1.00 24.13 H new ATOM 1603 N TRP A 97 0.557 11.125 2.625 1.00 23.14 N ATOM 1604 CA TRP A 97 1.387 10.629 3.740 1.00 61.24 C ATOM 1605 C TRP A 97 1.183 11.499 4.997 1.00 71.12 C ATOM 1606 O TRP A 97 1.383 12.713 4.965 1.00 23.52 O ATOM 1607 CB TRP A 97 2.895 10.595 3.353 1.00 52.43 C ATOM 1608 CG TRP A 97 3.273 9.465 2.409 1.00 72.33 C ATOM 1609 CD1 TRP A 97 3.091 9.411 1.049 1.00 63.20 C ATOM 1610 CD2 TRP A 97 3.901 8.220 2.772 1.00 43.40 C ATOM 1611 NE1 TRP A 97 3.545 8.210 0.559 1.00 23.01 N ATOM 1612 CE2 TRP A 97 4.056 7.467 1.592 1.00 21.04 C ATOM 1613 CE3 TRP A 97 4.352 7.671 3.980 1.00 1.32 C ATOM 1614 CZ2 TRP A 97 4.637 6.199 1.585 1.00 32.31 C ATOM 1615 CZ3 TRP A 97 4.922 6.408 3.969 1.00 2.44 C ATOM 1616 CH2 TRP A 97 5.062 5.686 2.778 1.00 62.21 C ATOM 0 H TRP A 97 1.075 11.680 1.944 1.00 23.14 H new ATOM 0 HA TRP A 97 1.069 9.610 3.959 1.00 61.24 H new ATOM 0 HB2 TRP A 97 3.160 11.545 2.889 1.00 52.43 H new ATOM 0 HB3 TRP A 97 3.490 10.507 4.262 1.00 52.43 H new ATOM 0 HD1 TRP A 97 2.655 10.198 0.451 1.00 63.20 H new ATOM 0 HE1 TRP A 97 3.508 7.918 -0.418 1.00 23.01 H new ATOM 0 HE3 TRP A 97 4.257 8.223 4.904 1.00 1.32 H new ATOM 0 HZ2 TRP A 97 4.747 5.641 0.667 1.00 32.31 H new ATOM 0 HZ3 TRP A 97 5.264 5.973 4.896 1.00 2.44 H new ATOM 0 HH2 TRP A 97 5.514 4.706 2.802 1.00 62.21 H new ATOM 1627 N ASP A 98 0.754 10.851 6.081 1.00 14.50 N ATOM 1628 CA ASP A 98 0.718 11.417 7.437 1.00 45.33 C ATOM 1629 C ASP A 98 1.927 10.874 8.200 1.00 1.15 C ATOM 1630 O ASP A 98 1.852 9.807 8.831 1.00 23.41 O ATOM 1631 CB ASP A 98 -0.606 11.039 8.156 1.00 31.52 C ATOM 1632 CG ASP A 98 -1.814 11.750 7.546 1.00 75.30 C ATOM 1633 OD1 ASP A 98 -2.126 12.881 7.988 1.00 43.30 O ATOM 1634 OD2 ASP A 98 -2.439 11.201 6.610 1.00 44.14 O ATOM 0 H ASP A 98 0.412 9.891 6.042 1.00 14.50 H new ATOM 0 HA ASP A 98 0.759 12.505 7.394 1.00 45.33 H new ATOM 0 HB2 ASP A 98 -0.754 9.961 8.099 1.00 31.52 H new ATOM 0 HB3 ASP A 98 -0.530 11.295 9.213 1.00 31.52 H new ATOM 1639 N GLY A 99 3.061 11.584 8.081 1.00 14.20 N ATOM 1640 CA GLY A 99 4.323 11.138 8.658 1.00 14.42 C ATOM 1641 C GLY A 99 4.840 9.860 7.998 1.00 32.14 C ATOM 1642 O GLY A 99 5.346 9.899 6.872 1.00 64.42 O ATOM 0 H GLY A 99 3.121 12.474 7.586 1.00 14.20 H new ATOM 0 HA2 GLY A 99 5.068 11.927 8.552 1.00 14.42 H new ATOM 0 HA3 GLY A 99 4.191 10.966 9.726 1.00 14.42 H new ATOM 1646 N ASP A 100 4.672 8.722 8.692 1.00 70.24 N ATOM 1647 CA ASP A 100 5.177 7.409 8.237 1.00 61.12 C ATOM 1648 C ASP A 100 4.032 6.501 7.734 1.00 53.41 C ATOM 1649 O ASP A 100 4.286 5.432 7.165 1.00 35.34 O ATOM 1650 CB ASP A 100 5.955 6.729 9.394 1.00 62.33 C ATOM 1651 CG ASP A 100 7.213 7.520 9.817 1.00 11.40 C ATOM 1652 OD1 ASP A 100 8.221 7.502 9.081 1.00 54.23 O ATOM 1653 OD2 ASP A 100 7.196 8.182 10.878 1.00 62.34 O ATOM 0 H ASP A 100 4.182 8.683 9.586 1.00 70.24 H new ATOM 0 HA ASP A 100 5.849 7.569 7.394 1.00 61.12 H new ATOM 0 HB2 ASP A 100 5.295 6.619 10.254 1.00 62.33 H new ATOM 0 HB3 ASP A 100 6.249 5.725 9.087 1.00 62.33 H new ATOM 1658 N THR A 101 2.781 6.929 7.936 1.00 51.42 N ATOM 1659 CA THR A 101 1.591 6.183 7.486 1.00 11.22 C ATOM 1660 C THR A 101 0.939 6.942 6.332 1.00 51.31 C ATOM 1661 O THR A 101 0.643 8.118 6.488 1.00 13.23 O ATOM 1662 CB THR A 101 0.555 6.043 8.651 1.00 2.13 C ATOM 1663 OG1 THR A 101 1.192 5.467 9.799 1.00 4.42 O ATOM 1664 CG2 THR A 101 -0.663 5.176 8.257 1.00 31.44 C ATOM 0 H THR A 101 2.560 7.802 8.416 1.00 51.42 H new ATOM 0 HA THR A 101 1.898 5.187 7.166 1.00 11.22 H new ATOM 0 HB THR A 101 0.190 7.044 8.879 1.00 2.13 H new ATOM 0 HG1 THR A 101 0.760 5.799 10.614 1.00 4.42 H new ATOM 0 HG21 THR A 101 -1.351 5.111 9.100 1.00 31.44 H new ATOM 0 HG22 THR A 101 -1.173 5.630 7.407 1.00 31.44 H new ATOM 0 HG23 THR A 101 -0.325 4.176 7.986 1.00 31.44 H new ATOM 1672 N VAL A 102 0.691 6.282 5.189 1.00 3.22 N ATOM 1673 CA VAL A 102 -0.004 6.927 4.063 1.00 71.42 C ATOM 1674 C VAL A 102 -1.508 6.586 4.144 1.00 21.31 C ATOM 1675 O VAL A 102 -1.897 5.409 4.132 1.00 51.33 O ATOM 1676 CB VAL A 102 0.629 6.556 2.658 1.00 22.41 C ATOM 1677 CG1 VAL A 102 0.614 5.044 2.346 1.00 42.42 C ATOM 1678 CG2 VAL A 102 -0.016 7.381 1.518 1.00 2.05 C ATOM 0 H VAL A 102 0.958 5.312 5.021 1.00 3.22 H new ATOM 0 HA VAL A 102 0.120 8.007 4.146 1.00 71.42 H new ATOM 0 HB VAL A 102 1.683 6.827 2.724 1.00 22.41 H new ATOM 0 HG11 VAL A 102 1.064 4.870 1.368 1.00 42.42 H new ATOM 0 HG12 VAL A 102 1.182 4.510 3.107 1.00 42.42 H new ATOM 0 HG13 VAL A 102 -0.415 4.684 2.342 1.00 42.42 H new ATOM 0 HG21 VAL A 102 0.439 7.105 0.567 1.00 2.05 H new ATOM 0 HG22 VAL A 102 -1.086 7.177 1.482 1.00 2.05 H new ATOM 0 HG23 VAL A 102 0.145 8.443 1.702 1.00 2.05 H new ATOM 1688 N THR A 103 -2.339 7.626 4.296 1.00 35.55 N ATOM 1689 CA THR A 103 -3.793 7.504 4.322 1.00 21.43 C ATOM 1690 C THR A 103 -4.301 7.713 2.890 1.00 2.44 C ATOM 1691 O THR A 103 -4.341 8.844 2.379 1.00 23.02 O ATOM 1692 CB THR A 103 -4.422 8.554 5.297 1.00 62.14 C ATOM 1693 OG1 THR A 103 -3.817 8.428 6.590 1.00 3.21 O ATOM 1694 CG2 THR A 103 -5.949 8.401 5.437 1.00 64.31 C ATOM 0 H THR A 103 -2.011 8.586 4.405 1.00 35.55 H new ATOM 0 HA THR A 103 -4.084 6.518 4.685 1.00 21.43 H new ATOM 0 HB THR A 103 -4.231 9.539 4.872 1.00 62.14 H new ATOM 0 HG1 THR A 103 -3.309 9.241 6.794 1.00 3.21 H new ATOM 0 HG21 THR A 103 -6.329 9.156 6.125 1.00 64.31 H new ATOM 0 HG22 THR A 103 -6.419 8.530 4.462 1.00 64.31 H new ATOM 0 HG23 THR A 103 -6.181 7.408 5.823 1.00 64.31 H new ATOM 1702 N VAL A 104 -4.599 6.594 2.228 1.00 72.35 N ATOM 1703 CA VAL A 104 -5.099 6.565 0.853 1.00 51.41 C ATOM 1704 C VAL A 104 -6.596 6.282 0.894 1.00 54.15 C ATOM 1705 O VAL A 104 -7.011 5.177 1.247 1.00 71.10 O ATOM 1706 CB VAL A 104 -4.364 5.455 0.009 1.00 43.32 C ATOM 1707 CG1 VAL A 104 -4.850 5.417 -1.466 1.00 64.22 C ATOM 1708 CG2 VAL A 104 -2.838 5.648 0.088 1.00 31.00 C ATOM 0 H VAL A 104 -4.498 5.666 2.640 1.00 72.35 H new ATOM 0 HA VAL A 104 -4.906 7.526 0.377 1.00 51.41 H new ATOM 0 HB VAL A 104 -4.618 4.489 0.444 1.00 43.32 H new ATOM 0 HG11 VAL A 104 -4.314 4.636 -2.006 1.00 64.22 H new ATOM 0 HG12 VAL A 104 -5.919 5.207 -1.491 1.00 64.22 H new ATOM 0 HG13 VAL A 104 -4.658 6.381 -1.937 1.00 64.22 H new ATOM 0 HG21 VAL A 104 -2.343 4.875 -0.499 1.00 31.00 H new ATOM 0 HG22 VAL A 104 -2.574 6.629 -0.308 1.00 31.00 H new ATOM 0 HG23 VAL A 104 -2.516 5.577 1.127 1.00 31.00 H new ATOM 1718 N GLU A 105 -7.404 7.288 0.548 1.00 20.40 N ATOM 1719 CA GLU A 105 -8.859 7.140 0.472 1.00 1.43 C ATOM 1720 C GLU A 105 -9.257 6.992 -1.000 1.00 42.04 C ATOM 1721 O GLU A 105 -9.137 7.942 -1.787 1.00 12.22 O ATOM 1722 CB GLU A 105 -9.572 8.336 1.149 1.00 44.34 C ATOM 1723 CG GLU A 105 -9.288 8.455 2.664 1.00 53.52 C ATOM 1724 CD GLU A 105 -10.163 9.511 3.354 1.00 71.05 C ATOM 1725 OE1 GLU A 105 -11.275 9.166 3.814 1.00 30.20 O ATOM 1726 OE2 GLU A 105 -9.757 10.693 3.425 1.00 71.24 O ATOM 0 H GLU A 105 -7.070 8.223 0.314 1.00 20.40 H new ATOM 0 HA GLU A 105 -9.173 6.248 1.014 1.00 1.43 H new ATOM 0 HB2 GLU A 105 -9.262 9.258 0.657 1.00 44.34 H new ATOM 0 HB3 GLU A 105 -10.647 8.240 0.997 1.00 44.34 H new ATOM 0 HG2 GLU A 105 -9.454 7.487 3.137 1.00 53.52 H new ATOM 0 HG3 GLU A 105 -8.238 8.706 2.813 1.00 53.52 H new ATOM 1733 N GLY A 106 -9.723 5.784 -1.352 1.00 4.52 N ATOM 1734 CA GLY A 106 -10.002 5.415 -2.734 1.00 34.01 C ATOM 1735 C GLY A 106 -11.469 5.115 -2.972 1.00 0.52 C ATOM 1736 O GLY A 106 -12.208 4.759 -2.039 1.00 70.42 O ATOM 0 H GLY A 106 -9.915 5.040 -0.681 1.00 4.52 H new ATOM 0 HA2 GLY A 106 -9.689 6.225 -3.393 1.00 34.01 H new ATOM 0 HA3 GLY A 106 -9.408 4.540 -3.000 1.00 34.01 H new ATOM 1740 N GLN A 107 -11.888 5.280 -4.232 1.00 24.43 N ATOM 1741 CA GLN A 107 -13.206 4.852 -4.708 1.00 5.22 C ATOM 1742 C GLN A 107 -13.048 3.589 -5.564 1.00 41.11 C ATOM 1743 O GLN A 107 -12.001 3.371 -6.198 1.00 22.44 O ATOM 1744 CB GLN A 107 -13.917 5.976 -5.511 1.00 20.11 C ATOM 1745 CG GLN A 107 -13.160 6.473 -6.759 1.00 10.22 C ATOM 1746 CD GLN A 107 -13.990 7.425 -7.632 1.00 44.11 C ATOM 1747 OE1 GLN A 107 -13.974 8.641 -7.450 1.00 3.44 O ATOM 1748 NE2 GLN A 107 -14.730 6.871 -8.580 1.00 60.32 N ATOM 0 H GLN A 107 -11.317 5.718 -4.955 1.00 24.43 H new ATOM 0 HA GLN A 107 -13.833 4.631 -3.844 1.00 5.22 H new ATOM 0 HB2 GLN A 107 -14.897 5.614 -5.821 1.00 20.11 H new ATOM 0 HB3 GLN A 107 -14.085 6.824 -4.847 1.00 20.11 H new ATOM 0 HG2 GLN A 107 -12.248 6.981 -6.444 1.00 10.22 H new ATOM 0 HG3 GLN A 107 -12.856 5.614 -7.357 1.00 10.22 H new ATOM 0 HE21 GLN A 107 -14.722 5.859 -8.707 1.00 60.32 H new ATOM 0 HE22 GLN A 107 -15.308 7.456 -9.183 1.00 60.32 H new ATOM 1757 N LEU A 108 -14.092 2.756 -5.563 1.00 55.31 N ATOM 1758 CA LEU A 108 -14.149 1.509 -6.338 1.00 44.51 C ATOM 1759 C LEU A 108 -15.606 1.208 -6.710 1.00 2.44 C ATOM 1760 O LEU A 108 -16.529 1.875 -6.209 1.00 60.22 O ATOM 1761 CB LEU A 108 -13.439 0.295 -5.598 1.00 32.32 C ATOM 1762 CG LEU A 108 -13.803 -0.084 -4.097 1.00 63.05 C ATOM 1763 CD1 LEU A 108 -13.519 1.058 -3.096 1.00 51.02 C ATOM 1764 CD2 LEU A 108 -15.245 -0.621 -3.937 1.00 1.20 C ATOM 0 H LEU A 108 -14.935 2.930 -5.016 1.00 55.31 H new ATOM 0 HA LEU A 108 -13.580 1.646 -7.258 1.00 44.51 H new ATOM 0 HB2 LEU A 108 -13.618 -0.594 -6.203 1.00 32.32 H new ATOM 0 HB3 LEU A 108 -12.367 0.489 -5.626 1.00 32.32 H new ATOM 0 HG LEU A 108 -13.128 -0.903 -3.847 1.00 63.05 H new ATOM 0 HD11 LEU A 108 -13.789 0.736 -2.090 1.00 51.02 H new ATOM 0 HD12 LEU A 108 -12.459 1.311 -3.124 1.00 51.02 H new ATOM 0 HD13 LEU A 108 -14.108 1.934 -3.367 1.00 51.02 H new ATOM 0 HD21 LEU A 108 -15.430 -0.861 -2.890 1.00 1.20 H new ATOM 0 HD22 LEU A 108 -15.955 0.138 -4.266 1.00 1.20 H new ATOM 0 HD23 LEU A 108 -15.368 -1.519 -4.542 1.00 1.20 H new ATOM 1776 N GLU A 109 -15.815 0.217 -7.601 1.00 51.41 N ATOM 1777 CA GLU A 109 -17.160 -0.218 -7.993 1.00 65.04 C ATOM 1778 C GLU A 109 -17.727 -1.134 -6.893 1.00 72.22 C ATOM 1779 O GLU A 109 -17.633 -2.366 -6.967 1.00 71.31 O ATOM 1780 CB GLU A 109 -17.152 -0.908 -9.389 1.00 24.14 C ATOM 1781 CG GLU A 109 -18.556 -1.183 -9.972 1.00 42.53 C ATOM 1782 CD GLU A 109 -19.392 0.102 -10.182 1.00 32.33 C ATOM 1783 OE1 GLU A 109 -19.249 0.759 -11.239 1.00 30.41 O ATOM 1784 OE2 GLU A 109 -20.180 0.477 -9.281 1.00 35.24 O ATOM 0 H GLU A 109 -15.062 -0.295 -8.061 1.00 51.41 H new ATOM 0 HA GLU A 109 -17.809 0.652 -8.093 1.00 65.04 H new ATOM 0 HB2 GLU A 109 -16.598 -0.281 -10.088 1.00 24.14 H new ATOM 0 HB3 GLU A 109 -16.613 -1.852 -9.311 1.00 24.14 H new ATOM 0 HG2 GLU A 109 -18.451 -1.700 -10.926 1.00 42.53 H new ATOM 0 HG3 GLU A 109 -19.095 -1.854 -9.303 1.00 42.53 H new ATOM 1791 N GLY A 110 -18.225 -0.492 -5.830 1.00 32.11 N ATOM 1792 CA GLY A 110 -18.777 -1.188 -4.684 1.00 2.01 C ATOM 1793 C GLY A 110 -20.238 -1.543 -4.885 1.00 63.23 C ATOM 1794 O GLY A 110 -21.109 -0.675 -4.746 1.00 22.50 O ATOM 0 H GLY A 110 -18.252 0.524 -5.749 1.00 32.11 H new ATOM 0 HA2 GLY A 110 -18.205 -2.098 -4.502 1.00 2.01 H new ATOM 0 HA3 GLY A 110 -18.674 -0.564 -3.796 1.00 2.01 H new ATOM 1798 N VAL A 111 -20.504 -2.816 -5.223 1.00 52.24 N ATOM 1799 CA VAL A 111 -21.872 -3.323 -5.412 1.00 33.44 C ATOM 1800 C VAL A 111 -22.585 -3.358 -4.056 1.00 31.55 C ATOM 1801 O VAL A 111 -22.183 -4.108 -3.156 1.00 33.33 O ATOM 1802 CB VAL A 111 -21.891 -4.755 -6.055 1.00 72.53 C ATOM 1803 CG1 VAL A 111 -23.337 -5.241 -6.326 1.00 22.22 C ATOM 1804 CG2 VAL A 111 -21.032 -4.794 -7.339 1.00 23.22 C ATOM 0 H VAL A 111 -19.780 -3.519 -5.372 1.00 52.24 H new ATOM 0 HA VAL A 111 -22.387 -2.651 -6.099 1.00 33.44 H new ATOM 0 HB VAL A 111 -21.451 -5.446 -5.336 1.00 72.53 H new ATOM 0 HG11 VAL A 111 -23.309 -6.236 -6.771 1.00 22.22 H new ATOM 0 HG12 VAL A 111 -23.890 -5.279 -5.387 1.00 22.22 H new ATOM 0 HG13 VAL A 111 -23.831 -4.551 -7.010 1.00 22.22 H new ATOM 0 HG21 VAL A 111 -21.061 -5.797 -7.766 1.00 23.22 H new ATOM 0 HG22 VAL A 111 -21.426 -4.080 -8.062 1.00 23.22 H new ATOM 0 HG23 VAL A 111 -20.002 -4.533 -7.096 1.00 23.22 H new ATOM 1814 N ASP A 112 -23.622 -2.523 -3.923 1.00 13.15 N ATOM 1815 CA ASP A 112 -24.368 -2.371 -2.675 1.00 3.05 C ATOM 1816 C ASP A 112 -25.218 -3.626 -2.422 1.00 11.02 C ATOM 1817 O ASP A 112 -26.191 -3.885 -3.142 1.00 43.13 O ATOM 1818 CB ASP A 112 -25.262 -1.111 -2.750 1.00 33.33 C ATOM 1819 CG ASP A 112 -25.905 -0.728 -1.399 1.00 4.43 C ATOM 1820 OD1 ASP A 112 -26.967 -1.282 -1.043 1.00 23.32 O ATOM 1821 OD2 ASP A 112 -25.351 0.145 -0.698 1.00 1.22 O ATOM 0 H ASP A 112 -23.966 -1.934 -4.681 1.00 13.15 H new ATOM 0 HA ASP A 112 -23.670 -2.252 -1.846 1.00 3.05 H new ATOM 0 HB2 ASP A 112 -24.665 -0.273 -3.109 1.00 33.33 H new ATOM 0 HB3 ASP A 112 -26.051 -1.278 -3.484 1.00 33.33 H new ATOM 1826 N LEU A 113 -24.809 -4.417 -1.428 1.00 73.22 N ATOM 1827 CA LEU A 113 -25.550 -5.618 -0.986 1.00 33.35 C ATOM 1828 C LEU A 113 -26.386 -5.306 0.267 1.00 32.22 C ATOM 1829 O LEU A 113 -26.937 -6.222 0.900 1.00 3.41 O ATOM 1830 CB LEU A 113 -24.553 -6.778 -0.713 1.00 3.12 C ATOM 1831 CG LEU A 113 -23.731 -7.283 -1.945 1.00 44.02 C ATOM 1832 CD1 LEU A 113 -22.840 -8.483 -1.562 1.00 11.52 C ATOM 1833 CD2 LEU A 113 -24.649 -7.631 -3.140 1.00 33.53 C ATOM 0 H LEU A 113 -23.953 -4.249 -0.900 1.00 73.22 H new ATOM 0 HA LEU A 113 -26.235 -5.925 -1.776 1.00 33.35 H new ATOM 0 HB2 LEU A 113 -23.853 -6.455 0.057 1.00 3.12 H new ATOM 0 HB3 LEU A 113 -25.111 -7.621 -0.304 1.00 3.12 H new ATOM 0 HG LEU A 113 -23.081 -6.467 -2.261 1.00 44.02 H new ATOM 0 HD11 LEU A 113 -22.280 -8.814 -2.436 1.00 11.52 H new ATOM 0 HD12 LEU A 113 -22.145 -8.184 -0.777 1.00 11.52 H new ATOM 0 HD13 LEU A 113 -23.465 -9.300 -1.201 1.00 11.52 H new ATOM 0 HD21 LEU A 113 -24.042 -7.978 -3.976 1.00 33.53 H new ATOM 0 HD22 LEU A 113 -25.346 -8.416 -2.847 1.00 33.53 H new ATOM 0 HD23 LEU A 113 -25.207 -6.744 -3.440 1.00 33.53 H new ATOM 1845 N GLU A 114 -26.498 -4.005 0.604 1.00 60.12 N ATOM 1846 CA GLU A 114 -27.221 -3.551 1.793 1.00 13.11 C ATOM 1847 C GLU A 114 -28.729 -3.494 1.500 1.00 4.32 C ATOM 1848 O GLU A 114 -29.206 -2.629 0.750 1.00 11.51 O ATOM 1849 CB GLU A 114 -26.684 -2.178 2.285 1.00 53.35 C ATOM 1850 CG GLU A 114 -25.201 -2.218 2.711 1.00 32.42 C ATOM 1851 CD GLU A 114 -24.704 -0.914 3.357 1.00 23.53 C ATOM 1852 OE1 GLU A 114 -24.975 -0.701 4.564 1.00 64.02 O ATOM 1853 OE2 GLU A 114 -24.034 -0.100 2.671 1.00 62.01 O ATOM 0 H GLU A 114 -26.089 -3.248 0.057 1.00 60.12 H new ATOM 0 HA GLU A 114 -27.055 -4.267 2.598 1.00 13.11 H new ATOM 0 HB2 GLU A 114 -26.807 -1.442 1.490 1.00 53.35 H new ATOM 0 HB3 GLU A 114 -27.288 -1.841 3.128 1.00 53.35 H new ATOM 0 HG2 GLU A 114 -25.057 -3.038 3.414 1.00 32.42 H new ATOM 0 HG3 GLU A 114 -24.588 -2.436 1.837 1.00 32.42 H new ATOM 1860 N HIS A 115 -29.453 -4.484 2.058 1.00 64.10 N ATOM 1861 CA HIS A 115 -30.925 -4.518 2.054 1.00 0.35 C ATOM 1862 C HIS A 115 -31.480 -3.457 3.024 1.00 52.54 C ATOM 1863 O HIS A 115 -30.720 -2.876 3.817 1.00 61.21 O ATOM 1864 CB HIS A 115 -31.434 -5.943 2.417 1.00 14.24 C ATOM 1865 CG HIS A 115 -30.995 -7.026 1.452 1.00 52.34 C ATOM 1866 ND1 HIS A 115 -30.641 -8.304 1.848 1.00 33.22 N ATOM 1867 CD2 HIS A 115 -30.871 -7.016 0.101 1.00 3.13 C ATOM 1868 CE1 HIS A 115 -30.320 -9.021 0.787 1.00 60.11 C ATOM 1869 NE2 HIS A 115 -30.449 -8.264 -0.284 1.00 24.21 N ATOM 0 H HIS A 115 -29.029 -5.285 2.526 1.00 64.10 H new ATOM 0 HA HIS A 115 -31.286 -4.282 1.053 1.00 0.35 H new ATOM 0 HB2 HIS A 115 -31.082 -6.198 3.416 1.00 14.24 H new ATOM 0 HB3 HIS A 115 -32.523 -5.928 2.457 1.00 14.24 H new ATOM 0 HD2 HIS A 115 -31.068 -6.179 -0.552 1.00 3.13 H new ATOM 0 HE1 HIS A 115 -30.005 -10.054 0.795 1.00 60.11 H new ATOM 0 HE2 HIS A 115 -30.265 -8.558 -1.243 1.00 24.21 H new ATOM 1878 N HIS A 116 -32.816 -3.246 2.966 1.00 25.33 N ATOM 1879 CA HIS A 116 -33.504 -2.075 3.574 1.00 33.20 C ATOM 1880 C HIS A 116 -33.031 -0.797 2.847 1.00 73.41 C ATOM 1881 O HIS A 116 -32.937 0.287 3.434 1.00 32.32 O ATOM 1882 CB HIS A 116 -33.288 -1.979 5.118 1.00 71.13 C ATOM 1883 CG HIS A 116 -33.656 -3.223 5.894 1.00 34.02 C ATOM 1884 ND1 HIS A 116 -34.840 -3.365 6.586 1.00 1.33 N ATOM 1885 CD2 HIS A 116 -32.968 -4.378 6.105 1.00 63.12 C ATOM 1886 CE1 HIS A 116 -34.865 -4.541 7.181 1.00 0.14 C ATOM 1887 NE2 HIS A 116 -33.745 -5.171 6.906 1.00 33.42 N ATOM 0 H HIS A 116 -33.454 -3.886 2.493 1.00 25.33 H new ATOM 0 HA HIS A 116 -34.580 -2.196 3.445 1.00 33.20 H new ATOM 0 HB2 HIS A 116 -32.240 -1.747 5.309 1.00 71.13 H new ATOM 0 HB3 HIS A 116 -33.875 -1.144 5.500 1.00 71.13 H new ATOM 0 HD2 HIS A 116 -31.992 -4.623 5.714 1.00 63.12 H new ATOM 0 HE1 HIS A 116 -35.670 -4.922 7.792 1.00 0.14 H new ATOM 0 HE2 HIS A 116 -33.494 -6.103 7.237 1.00 33.42 H new ATOM 1896 N HIS A 117 -32.832 -0.949 1.523 1.00 51.12 N ATOM 1897 CA HIS A 117 -32.132 0.029 0.664 1.00 0.42 C ATOM 1898 C HIS A 117 -32.942 1.336 0.447 1.00 54.33 C ATOM 1899 O HIS A 117 -32.403 2.308 -0.087 1.00 25.22 O ATOM 1900 CB HIS A 117 -31.779 -0.660 -0.686 1.00 2.02 C ATOM 1901 CG HIS A 117 -30.887 0.134 -1.613 1.00 13.34 C ATOM 1902 ND1 HIS A 117 -29.512 0.125 -1.526 1.00 72.52 N ATOM 1903 CD2 HIS A 117 -31.182 0.950 -2.656 1.00 63.43 C ATOM 1904 CE1 HIS A 117 -29.011 0.903 -2.462 1.00 74.52 C ATOM 1905 NE2 HIS A 117 -30.001 1.412 -3.158 1.00 60.45 N ATOM 0 H HIS A 117 -33.158 -1.768 1.011 1.00 51.12 H new ATOM 0 HA HIS A 117 -31.219 0.341 1.170 1.00 0.42 H new ATOM 0 HB2 HIS A 117 -31.293 -1.612 -0.471 1.00 2.02 H new ATOM 0 HB3 HIS A 117 -32.707 -0.887 -1.211 1.00 2.02 H new ATOM 0 HD1 HIS A 117 -28.968 -0.402 -0.843 1.00 72.52 H new ATOM 0 HD2 HIS A 117 -32.170 1.190 -3.021 1.00 63.43 H new ATOM 0 HE1 HIS A 117 -27.961 1.091 -2.630 1.00 74.52 H new ATOM 1914 N HIS A 118 -34.220 1.368 0.897 1.00 62.10 N ATOM 1915 CA HIS A 118 -35.063 2.597 0.836 1.00 43.25 C ATOM 1916 C HIS A 118 -34.466 3.736 1.705 1.00 41.22 C ATOM 1917 O HIS A 118 -34.819 4.905 1.529 1.00 1.45 O ATOM 1918 CB HIS A 118 -36.528 2.304 1.253 1.00 63.42 C ATOM 1919 CG HIS A 118 -37.282 1.389 0.308 1.00 40.33 C ATOM 1920 ND1 HIS A 118 -38.244 1.839 -0.572 1.00 20.21 N ATOM 1921 CD2 HIS A 118 -37.232 0.041 0.129 1.00 14.24 C ATOM 1922 CE1 HIS A 118 -38.749 0.823 -1.239 1.00 13.43 C ATOM 1923 NE2 HIS A 118 -38.155 -0.280 -0.836 1.00 44.51 N ATOM 0 H HIS A 118 -34.692 0.562 1.306 1.00 62.10 H new ATOM 0 HA HIS A 118 -35.069 2.930 -0.202 1.00 43.25 H new ATOM 0 HB2 HIS A 118 -36.526 1.857 2.247 1.00 63.42 H new ATOM 0 HB3 HIS A 118 -37.066 3.249 1.330 1.00 63.42 H new ATOM 0 HD2 HIS A 118 -36.585 -0.650 0.650 1.00 14.24 H new ATOM 0 HE1 HIS A 118 -39.522 0.884 -1.991 1.00 13.43 H new ATOM 0 HE2 HIS A 118 -38.348 -1.219 -1.183 1.00 44.51 H new ATOM 1932 N HIS A 119 -33.572 3.373 2.651 1.00 1.12 N ATOM 1933 CA HIS A 119 -32.743 4.342 3.412 1.00 72.01 C ATOM 1934 C HIS A 119 -31.252 4.128 3.078 1.00 54.04 C ATOM 1935 O HIS A 119 -30.861 3.037 2.644 1.00 74.34 O ATOM 1936 CB HIS A 119 -32.965 4.207 4.956 1.00 21.55 C ATOM 1937 CG HIS A 119 -32.362 2.971 5.607 1.00 22.31 C ATOM 1938 ND1 HIS A 119 -31.005 2.823 5.840 1.00 55.44 N ATOM 1939 CD2 HIS A 119 -32.932 1.829 6.069 1.00 23.52 C ATOM 1940 CE1 HIS A 119 -30.776 1.659 6.406 1.00 54.11 C ATOM 1941 NE2 HIS A 119 -31.920 1.035 6.556 1.00 14.23 N ATOM 0 H HIS A 119 -33.403 2.401 2.911 1.00 1.12 H new ATOM 0 HA HIS A 119 -33.048 5.346 3.118 1.00 72.01 H new ATOM 0 HB2 HIS A 119 -32.549 5.090 5.442 1.00 21.55 H new ATOM 0 HB3 HIS A 119 -34.037 4.211 5.151 1.00 21.55 H new ATOM 0 HD1 HIS A 119 -30.291 3.513 5.607 1.00 55.44 H new ATOM 0 HD2 HIS A 119 -33.985 1.588 6.057 1.00 23.52 H new ATOM 0 HE1 HIS A 119 -29.808 1.280 6.699 1.00 54.11 H new ATOM 1950 N HIS A 120 -30.436 5.170 3.297 1.00 62.54 N ATOM 1951 CA HIS A 120 -28.964 5.072 3.274 1.00 51.33 C ATOM 1952 C HIS A 120 -28.441 5.400 4.703 1.00 10.54 C ATOM 1953 O HIS A 120 -28.432 4.489 5.561 1.00 0.53 O ATOM 1954 CB HIS A 120 -28.363 6.023 2.192 1.00 3.30 C ATOM 1955 CG HIS A 120 -26.848 5.955 2.084 1.00 52.33 C ATOM 1956 ND1 HIS A 120 -26.000 6.729 2.857 1.00 14.13 N ATOM 1957 CD2 HIS A 120 -26.038 5.187 1.311 1.00 40.11 C ATOM 1958 CE1 HIS A 120 -24.746 6.435 2.569 1.00 62.43 C ATOM 1959 NE2 HIS A 120 -24.741 5.506 1.637 1.00 11.25 N ATOM 1960 OXT HIS A 120 -28.090 6.567 4.984 1.00 38.56 O ATOM 0 H HIS A 120 -30.778 6.110 3.496 1.00 62.54 H new ATOM 0 HA HIS A 120 -28.650 4.065 3.001 1.00 51.33 H new ATOM 0 HB2 HIS A 120 -28.798 5.776 1.223 1.00 3.30 H new ATOM 0 HB3 HIS A 120 -28.655 7.048 2.421 1.00 3.30 H new ATOM 0 HD2 HIS A 120 -26.354 4.461 0.577 1.00 40.11 H new ATOM 0 HE1 HIS A 120 -23.873 6.881 3.021 1.00 62.43 H new ATOM 0 HE2 HIS A 120 -23.908 5.089 1.222 1.00 11.25 H new TER 1969 HIS A 120