USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1309 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 46 LYS NZ :NH3+ -149:sc= 1.68 (180deg=-0.854) USER MOD Set 1.2: A 86 ASN : amide:sc= 1.9 K(o=1.3,f=-10!) USER MOD Set 1.3: A 138 ASN : amide:sc= -2.25! K(o=1.3!,f=-0.29) USER MOD Set 2.1: A 76 SER OG : rot 88:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= -0.659 K(o=-16,f=-24!) USER MOD Set 2.3: A 82 GLN : amide:sc= -6.1! C(o=-16!,f=-13!) USER MOD Set 2.4: A 109 ASN : amide:sc= -1.79! C(o=-16!,f=-16!) USER MOD Set 2.5: A 111 ASN : amide:sc= -7.24! C(o=-16!,f=-16!) USER MOD Set 3.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 THR OG1 : rot 52:sc= -0.598! USER MOD Set 4.1: A 45 SER OG : rot -129:sc= 0.304 USER MOD Set 4.2: A 78 GLN : amide:sc= -0.363 K(o=-0.059,f=-5.6!) USER MOD Set 5.1: A 28 TYR OH : rot -70:sc= -0.294 USER MOD Set 5.2: A 29 ASN : amide:sc= -7.47! C(o=-16!,f=-14!) USER MOD Set 5.3: A 32 GLN : amide:sc= -0.255 K(o=-16,f=-15) USER MOD Set 5.4: A 33 HIS : no HE2:sc= -7.51! C(o=-16!,f=-14!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -155:sc= 1.29 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ -179:sc= 1.6 (180deg=1.53) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 147:sc= 0.758 USER MOD Single : A 41 TYR OH : rot -8:sc= -2.81! USER MOD Single : A 42 ASN : amide:sc= -14.9! C(o=-15!,f=-16!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -66:sc= -0.708! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.872 USER MOD Single : A 56 THR OG1 : rot 82:sc= -2.92! USER MOD Single : A 58 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 59 THR OG1 : rot 89:sc= 1.13 USER MOD Single : A 62 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.18) USER MOD Single : A 64 TYR OH : rot 166:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.156 USER MOD Single : A 67 GLN : amide:sc= -1.98! K(o=-2!,f=-0.92) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.21 (180deg=0.955) USER MOD Single : A 95 CYS SG : rot 71:sc= -6.41! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0706 (180deg=-0.367) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -123:sc= -8.26! (180deg=-11.1!) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0.107 (180deg=0.0628) USER MOD Single : A 114 ASN : amide:sc= -1.56! K(o=-1.6!,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -6.37! C(o=-6.4!,f=-11!) USER MOD Single : A 119 TYR OH : rot -147:sc= -3.37! USER MOD Single : A 121 TYR OH : rot 39:sc= 0.624 USER MOD Single : A 122 MET CE :methyl -122:sc= -11.7! (180deg=-17.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 77:sc= 0.496 USER MOD Single : A 126 LYS NZ :NH3+ -174:sc= 0.551 (180deg=0.229) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -114:sc= 1.26 (180deg=-0.489) USER MOD Single : A 140 THR OG1 : rot 71:sc= -2.16! USER MOD Single : A 141 SER OG : rot -81:sc= 1.9 USER MOD Single : A 155 SER OG : rot 180:sc= -1.47 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ -160:sc= -0.165 (180deg=-0.803) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 80:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -13.979 16.606 -2.570 1.00 5.22 N ATOM 2 CA GLY A 10 -13.061 17.743 -2.326 1.00 4.42 C ATOM 3 C GLY A 10 -11.630 17.384 -2.649 1.00 3.29 C ATOM 4 O GLY A 10 -11.337 16.241 -3.003 1.00 3.60 O ATOM 0 HA2 GLY A 10 -13.368 18.595 -2.932 1.00 4.42 H new ATOM 0 HA3 GLY A 10 -13.132 18.051 -1.283 1.00 4.42 H new ATOM 10 N MET A 11 -10.735 18.350 -2.517 1.00 2.49 N ATOM 11 CA MET A 11 -9.322 18.110 -2.768 1.00 1.84 C ATOM 12 C MET A 11 -8.707 17.351 -1.600 1.00 1.40 C ATOM 13 O MET A 11 -8.236 17.945 -0.627 1.00 2.20 O ATOM 14 CB MET A 11 -8.579 19.428 -3.005 1.00 2.43 C ATOM 15 CG MET A 11 -9.035 20.163 -4.255 1.00 3.11 C ATOM 16 SD MET A 11 -8.106 21.680 -4.549 1.00 4.02 S ATOM 17 CE MET A 11 -8.912 22.276 -6.031 1.00 4.85 C ATOM 0 H MET A 11 -10.960 19.305 -2.238 1.00 2.49 H new ATOM 0 HA MET A 11 -9.228 17.505 -3.669 1.00 1.84 H new ATOM 0 HB2 MET A 11 -8.720 20.076 -2.140 1.00 2.43 H new ATOM 0 HB3 MET A 11 -7.511 19.225 -3.081 1.00 2.43 H new ATOM 0 HG2 MET A 11 -8.930 19.505 -5.117 1.00 3.11 H new ATOM 0 HG3 MET A 11 -10.094 20.403 -4.164 1.00 3.11 H new ATOM 0 HE1 MET A 11 -8.451 23.213 -6.344 1.00 4.85 H new ATOM 0 HE2 MET A 11 -8.807 21.537 -6.825 1.00 4.85 H new ATOM 0 HE3 MET A 11 -9.970 22.442 -5.828 1.00 4.85 H new ATOM 27 N GLY A 12 -8.738 16.032 -1.694 1.00 0.92 N ATOM 28 CA GLY A 12 -8.209 15.201 -0.636 1.00 0.85 C ATOM 29 C GLY A 12 -9.302 14.615 0.239 1.00 0.79 C ATOM 30 O GLY A 12 -9.192 14.624 1.463 1.00 1.55 O ATOM 0 H GLY A 12 -9.122 15.520 -2.488 1.00 0.92 H new ATOM 0 HA2 GLY A 12 -7.623 14.392 -1.072 1.00 0.85 H new ATOM 0 HA3 GLY A 12 -7.530 15.790 -0.019 1.00 0.85 H new ATOM 34 N SER A 13 -10.365 14.124 -0.381 1.00 0.52 N ATOM 35 CA SER A 13 -11.427 13.444 0.353 1.00 0.53 C ATOM 36 C SER A 13 -11.436 11.955 0.016 1.00 0.41 C ATOM 37 O SER A 13 -12.389 11.239 0.311 1.00 0.53 O ATOM 38 CB SER A 13 -12.780 14.088 0.041 1.00 0.79 C ATOM 39 OG SER A 13 -12.891 14.417 -1.336 1.00 1.58 O ATOM 0 H SER A 13 -10.517 14.182 -1.388 1.00 0.52 H new ATOM 0 HA SER A 13 -11.240 13.546 1.422 1.00 0.53 H new ATOM 0 HB2 SER A 13 -13.583 13.405 0.320 1.00 0.79 H new ATOM 0 HB3 SER A 13 -12.904 14.988 0.643 1.00 0.79 H new ATOM 0 HG SER A 13 -13.537 15.145 -1.447 1.00 1.58 H new ATOM 45 N SER A 14 -10.340 11.512 -0.586 1.00 0.32 N ATOM 46 CA SER A 14 -10.150 10.160 -1.026 1.00 0.22 C ATOM 47 C SER A 14 -8.800 10.132 -1.682 1.00 0.21 C ATOM 48 O SER A 14 -8.303 11.151 -2.171 1.00 0.35 O ATOM 49 CB SER A 14 -11.232 9.717 -2.014 1.00 0.25 C ATOM 50 OG SER A 14 -11.123 10.412 -3.247 1.00 1.17 O ATOM 0 H SER A 14 -9.540 12.114 -0.782 1.00 0.32 H new ATOM 0 HA SER A 14 -10.215 9.471 -0.184 1.00 0.22 H new ATOM 0 HB2 SER A 14 -11.149 8.645 -2.190 1.00 0.25 H new ATOM 0 HB3 SER A 14 -12.217 9.893 -1.581 1.00 0.25 H new ATOM 0 HG SER A 14 -11.826 10.107 -3.858 1.00 1.17 H new ATOM 56 N ILE A 15 -8.205 8.981 -1.651 1.00 0.18 N ATOM 57 CA ILE A 15 -6.878 8.778 -2.157 1.00 0.18 C ATOM 58 C ILE A 15 -6.813 9.005 -3.664 1.00 0.17 C ATOM 59 O ILE A 15 -5.743 9.239 -4.220 1.00 0.19 O ATOM 60 CB ILE A 15 -6.445 7.355 -1.832 1.00 0.17 C ATOM 61 CG1 ILE A 15 -7.429 6.363 -2.451 1.00 0.18 C ATOM 62 CG2 ILE A 15 -6.380 7.173 -0.328 1.00 0.23 C ATOM 63 CD1 ILE A 15 -6.802 5.064 -2.896 1.00 0.38 C ATOM 0 H ILE A 15 -8.633 8.139 -1.267 1.00 0.18 H new ATOM 0 HA ILE A 15 -6.210 9.498 -1.685 1.00 0.18 H new ATOM 0 HB ILE A 15 -5.455 7.170 -2.249 1.00 0.17 H new ATOM 0 HG12 ILE A 15 -8.213 6.145 -1.725 1.00 0.18 H new ATOM 0 HG13 ILE A 15 -7.910 6.833 -3.308 1.00 0.18 H new ATOM 0 HG21 ILE A 15 -6.070 6.154 -0.098 1.00 0.23 H new ATOM 0 HG22 ILE A 15 -5.660 7.875 0.093 1.00 0.23 H new ATOM 0 HG23 ILE A 15 -7.363 7.359 0.104 1.00 0.23 H new ATOM 0 HD11 ILE A 15 -7.569 4.418 -3.323 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -6.039 5.267 -3.647 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -6.345 4.568 -2.039 1.00 0.38 H new ATOM 75 N PHE A 16 -7.974 8.967 -4.308 1.00 0.18 N ATOM 76 CA PHE A 16 -8.071 9.088 -5.757 1.00 0.19 C ATOM 77 C PHE A 16 -7.748 10.494 -6.230 1.00 0.21 C ATOM 78 O PHE A 16 -7.639 10.745 -7.431 1.00 0.30 O ATOM 79 CB PHE A 16 -9.462 8.719 -6.212 1.00 0.20 C ATOM 80 CG PHE A 16 -9.838 7.310 -5.906 1.00 0.19 C ATOM 81 CD1 PHE A 16 -9.036 6.273 -6.330 1.00 0.22 C ATOM 82 CD2 PHE A 16 -11.004 7.018 -5.236 1.00 0.18 C ATOM 83 CE1 PHE A 16 -9.391 4.966 -6.101 1.00 0.22 C ATOM 84 CE2 PHE A 16 -11.360 5.710 -4.993 1.00 0.19 C ATOM 85 CZ PHE A 16 -10.553 4.683 -5.433 1.00 0.19 C ATOM 0 H PHE A 16 -8.873 8.852 -3.841 1.00 0.18 H new ATOM 0 HA PHE A 16 -7.340 8.406 -6.191 1.00 0.19 H new ATOM 0 HB2 PHE A 16 -10.179 9.388 -5.738 1.00 0.20 H new ATOM 0 HB3 PHE A 16 -9.538 8.881 -7.287 1.00 0.20 H new ATOM 0 HD1 PHE A 16 -8.115 6.491 -6.850 1.00 0.22 H new ATOM 0 HD2 PHE A 16 -11.644 7.820 -4.899 1.00 0.18 H new ATOM 0 HE1 PHE A 16 -8.756 4.164 -6.447 1.00 0.22 H new ATOM 0 HE2 PHE A 16 -12.272 5.489 -4.458 1.00 0.19 H new ATOM 0 HZ PHE A 16 -10.836 3.657 -5.251 1.00 0.19 H new ATOM 95 N ASP A 17 -7.594 11.404 -5.284 1.00 0.21 N ATOM 96 CA ASP A 17 -7.186 12.762 -5.590 1.00 0.26 C ATOM 97 C ASP A 17 -5.751 12.732 -6.075 1.00 0.25 C ATOM 98 O ASP A 17 -5.266 13.667 -6.717 1.00 0.32 O ATOM 99 CB ASP A 17 -7.292 13.639 -4.341 1.00 0.32 C ATOM 100 CG ASP A 17 -7.001 15.101 -4.617 1.00 1.13 C ATOM 101 OD1 ASP A 17 -7.943 15.849 -4.938 1.00 1.30 O ATOM 102 OD2 ASP A 17 -5.823 15.510 -4.525 1.00 2.11 O ATOM 0 H ASP A 17 -7.747 11.224 -4.292 1.00 0.21 H new ATOM 0 HA ASP A 17 -7.835 13.179 -6.360 1.00 0.26 H new ATOM 0 HB2 ASP A 17 -8.294 13.546 -3.923 1.00 0.32 H new ATOM 0 HB3 ASP A 17 -6.597 13.272 -3.586 1.00 0.32 H new ATOM 107 N PHE A 18 -5.081 11.624 -5.784 1.00 0.22 N ATOM 108 CA PHE A 18 -3.691 11.479 -6.109 1.00 0.23 C ATOM 109 C PHE A 18 -3.483 10.386 -7.111 1.00 0.26 C ATOM 110 O PHE A 18 -3.657 9.202 -6.821 1.00 0.29 O ATOM 111 CB PHE A 18 -2.889 11.216 -4.857 1.00 0.21 C ATOM 112 CG PHE A 18 -3.001 12.353 -3.902 1.00 0.22 C ATOM 113 CD1 PHE A 18 -2.553 13.612 -4.258 1.00 0.27 C ATOM 114 CD2 PHE A 18 -3.583 12.177 -2.669 1.00 0.23 C ATOM 115 CE1 PHE A 18 -2.676 14.675 -3.390 1.00 0.31 C ATOM 116 CE2 PHE A 18 -3.718 13.233 -1.804 1.00 0.29 C ATOM 117 CZ PHE A 18 -3.262 14.486 -2.158 1.00 0.31 C ATOM 0 H PHE A 18 -5.493 10.814 -5.320 1.00 0.22 H new ATOM 0 HA PHE A 18 -3.345 12.410 -6.557 1.00 0.23 H new ATOM 0 HB2 PHE A 18 -3.241 10.301 -4.381 1.00 0.21 H new ATOM 0 HB3 PHE A 18 -1.843 11.057 -5.118 1.00 0.21 H new ATOM 0 HD1 PHE A 18 -2.102 13.764 -5.227 1.00 0.27 H new ATOM 0 HD2 PHE A 18 -3.937 11.199 -2.379 1.00 0.23 H new ATOM 0 HE1 PHE A 18 -2.314 15.652 -3.674 1.00 0.31 H new ATOM 0 HE2 PHE A 18 -4.184 13.083 -0.841 1.00 0.29 H new ATOM 0 HZ PHE A 18 -3.364 15.314 -1.473 1.00 0.31 H new ATOM 127 N GLU A 19 -3.164 10.820 -8.304 1.00 0.35 N ATOM 128 CA GLU A 19 -2.745 9.937 -9.368 1.00 0.43 C ATOM 129 C GLU A 19 -1.716 8.930 -8.851 1.00 0.34 C ATOM 130 O GLU A 19 -0.859 9.257 -8.021 1.00 0.37 O ATOM 131 CB GLU A 19 -2.140 10.757 -10.508 1.00 0.63 C ATOM 132 CG GLU A 19 -2.080 10.013 -11.828 1.00 1.08 C ATOM 133 CD GLU A 19 -3.458 9.766 -12.406 1.00 2.04 C ATOM 134 OE1 GLU A 19 -4.068 8.730 -12.072 1.00 2.86 O ATOM 135 OE2 GLU A 19 -3.933 10.597 -13.202 1.00 2.30 O ATOM 0 H GLU A 19 -3.187 11.805 -8.569 1.00 0.35 H new ATOM 0 HA GLU A 19 -3.614 9.391 -9.735 1.00 0.43 H new ATOM 0 HB2 GLU A 19 -2.726 11.667 -10.640 1.00 0.63 H new ATOM 0 HB3 GLU A 19 -1.132 11.064 -10.228 1.00 0.63 H new ATOM 0 HG2 GLU A 19 -1.486 10.586 -12.540 1.00 1.08 H new ATOM 0 HG3 GLU A 19 -1.572 9.060 -11.684 1.00 1.08 H new ATOM 142 N VAL A 20 -1.792 7.726 -9.370 1.00 0.29 N ATOM 143 CA VAL A 20 -0.894 6.653 -8.985 1.00 0.26 C ATOM 144 C VAL A 20 0.009 6.370 -10.166 1.00 0.25 C ATOM 145 O VAL A 20 -0.210 6.924 -11.231 1.00 0.28 O ATOM 146 CB VAL A 20 -1.705 5.395 -8.546 1.00 0.31 C ATOM 147 CG1 VAL A 20 -0.857 4.137 -8.470 1.00 0.67 C ATOM 148 CG2 VAL A 20 -2.325 5.664 -7.203 1.00 0.49 C ATOM 0 H VAL A 20 -2.480 7.459 -10.074 1.00 0.29 H new ATOM 0 HA VAL A 20 -0.285 6.938 -8.127 1.00 0.26 H new ATOM 0 HB VAL A 20 -2.467 5.215 -9.304 1.00 0.31 H new ATOM 0 HG11 VAL A 20 -1.479 3.297 -8.159 1.00 0.67 H new ATOM 0 HG12 VAL A 20 -0.428 3.928 -9.450 1.00 0.67 H new ATOM 0 HG13 VAL A 20 -0.055 4.282 -7.746 1.00 0.67 H new ATOM 0 HG21 VAL A 20 -2.895 4.792 -6.884 1.00 0.49 H new ATOM 0 HG22 VAL A 20 -1.541 5.871 -6.475 1.00 0.49 H new ATOM 0 HG23 VAL A 20 -2.989 6.525 -7.275 1.00 0.49 H new ATOM 158 N LEU A 21 1.053 5.583 -9.987 1.00 0.28 N ATOM 159 CA LEU A 21 1.967 5.328 -11.076 1.00 0.35 C ATOM 160 C LEU A 21 2.263 3.854 -11.220 1.00 0.38 C ATOM 161 O LEU A 21 2.721 3.231 -10.281 1.00 0.58 O ATOM 162 CB LEU A 21 3.277 6.081 -10.857 1.00 0.45 C ATOM 163 CG LEU A 21 3.122 7.580 -10.658 1.00 0.46 C ATOM 164 CD1 LEU A 21 4.443 8.214 -10.290 1.00 0.69 C ATOM 165 CD2 LEU A 21 2.568 8.211 -11.911 1.00 0.68 C ATOM 0 H LEU A 21 1.285 5.117 -9.110 1.00 0.28 H new ATOM 0 HA LEU A 21 1.487 5.677 -11.990 1.00 0.35 H new ATOM 0 HB2 LEU A 21 3.780 5.662 -9.985 1.00 0.45 H new ATOM 0 HB3 LEU A 21 3.928 5.907 -11.714 1.00 0.45 H new ATOM 0 HG LEU A 21 2.425 7.749 -9.837 1.00 0.46 H new ATOM 0 HD11 LEU A 21 4.306 9.287 -10.153 1.00 0.69 H new ATOM 0 HD12 LEU A 21 4.812 7.774 -9.364 1.00 0.69 H new ATOM 0 HD13 LEU A 21 5.165 8.039 -11.088 1.00 0.69 H new ATOM 0 HD21 LEU A 21 2.460 9.285 -11.760 1.00 0.68 H new ATOM 0 HD22 LEU A 21 3.249 8.028 -12.742 1.00 0.68 H new ATOM 0 HD23 LEU A 21 1.594 7.777 -12.137 1.00 0.68 H new ATOM 177 N ASP A 22 2.007 3.301 -12.397 1.00 0.33 N ATOM 178 CA ASP A 22 2.503 1.970 -12.722 1.00 0.37 C ATOM 179 C ASP A 22 4.026 2.035 -12.684 1.00 0.35 C ATOM 180 O ASP A 22 4.585 3.130 -12.743 1.00 0.40 O ATOM 181 CB ASP A 22 1.984 1.529 -14.101 1.00 0.50 C ATOM 182 CG ASP A 22 2.610 0.238 -14.598 1.00 1.16 C ATOM 183 OD1 ASP A 22 2.142 -0.847 -14.204 1.00 1.48 O ATOM 184 OD2 ASP A 22 3.578 0.308 -15.384 1.00 1.87 O ATOM 0 H ASP A 22 1.464 3.747 -13.137 1.00 0.33 H new ATOM 0 HA ASP A 22 2.148 1.230 -12.005 1.00 0.37 H new ATOM 0 HB2 ASP A 22 0.902 1.403 -14.050 1.00 0.50 H new ATOM 0 HB3 ASP A 22 2.179 2.321 -14.824 1.00 0.50 H new ATOM 189 N ALA A 23 4.684 0.890 -12.576 1.00 0.39 N ATOM 190 CA ALA A 23 6.107 0.827 -12.212 1.00 0.42 C ATOM 191 C ALA A 23 7.033 1.698 -13.077 1.00 0.47 C ATOM 192 O ALA A 23 8.170 1.956 -12.687 1.00 0.59 O ATOM 193 CB ALA A 23 6.580 -0.619 -12.228 1.00 0.52 C ATOM 0 H ALA A 23 4.256 -0.022 -12.736 1.00 0.39 H new ATOM 0 HA ALA A 23 6.174 1.245 -11.207 1.00 0.42 H new ATOM 0 HB1 ALA A 23 7.635 -0.660 -11.958 1.00 0.52 H new ATOM 0 HB2 ALA A 23 5.999 -1.200 -11.512 1.00 0.52 H new ATOM 0 HB3 ALA A 23 6.445 -1.035 -13.226 1.00 0.52 H new ATOM 199 N ASP A 24 6.562 2.164 -14.226 1.00 0.46 N ATOM 200 CA ASP A 24 7.384 3.016 -15.083 1.00 0.54 C ATOM 201 C ASP A 24 7.184 4.505 -14.790 1.00 0.51 C ATOM 202 O ASP A 24 7.830 5.336 -15.424 1.00 0.62 O ATOM 203 CB ASP A 24 7.087 2.763 -16.560 1.00 0.69 C ATOM 204 CG ASP A 24 7.521 1.395 -17.032 1.00 1.43 C ATOM 205 OD1 ASP A 24 8.742 1.151 -17.101 1.00 1.51 O ATOM 206 OD2 ASP A 24 6.644 0.555 -17.315 1.00 2.34 O ATOM 0 H ASP A 24 5.627 1.971 -14.585 1.00 0.46 H new ATOM 0 HA ASP A 24 8.419 2.755 -14.863 1.00 0.54 H new ATOM 0 HB2 ASP A 24 6.017 2.876 -16.733 1.00 0.69 H new ATOM 0 HB3 ASP A 24 7.589 3.522 -17.159 1.00 0.69 H new ATOM 211 N HIS A 25 6.276 4.835 -13.852 1.00 0.43 N ATOM 212 CA HIS A 25 5.949 6.230 -13.502 1.00 0.44 C ATOM 213 C HIS A 25 4.938 6.775 -14.490 1.00 0.47 C ATOM 214 O HIS A 25 4.665 7.975 -14.538 1.00 0.54 O ATOM 215 CB HIS A 25 7.182 7.151 -13.420 1.00 0.54 C ATOM 216 CG HIS A 25 8.017 6.948 -12.191 1.00 0.64 C ATOM 217 ND1 HIS A 25 7.878 7.703 -11.045 1.00 0.73 N ATOM 218 CD2 HIS A 25 8.993 6.055 -11.932 1.00 1.47 C ATOM 219 CE1 HIS A 25 8.730 7.271 -10.130 1.00 0.59 C ATOM 220 NE2 HIS A 25 9.422 6.274 -10.644 1.00 1.26 N ATOM 0 H HIS A 25 5.750 4.144 -13.317 1.00 0.43 H new ATOM 0 HA HIS A 25 5.524 6.216 -12.498 1.00 0.44 H new ATOM 0 HB2 HIS A 25 7.804 6.987 -14.300 1.00 0.54 H new ATOM 0 HB3 HIS A 25 6.850 8.189 -13.453 1.00 0.54 H new ATOM 0 HD2 HIS A 25 9.369 5.305 -12.612 1.00 1.47 H new ATOM 0 HE1 HIS A 25 8.840 7.668 -9.132 1.00 0.59 H new ATOM 0 HE2 HIS A 25 10.155 5.751 -10.165 1.00 1.26 H new ATOM 229 N LYS A 26 4.394 5.865 -15.281 1.00 0.48 N ATOM 230 CA LYS A 26 3.259 6.155 -16.134 1.00 0.53 C ATOM 231 C LYS A 26 2.029 6.173 -15.250 1.00 0.41 C ATOM 232 O LYS A 26 1.757 5.182 -14.568 1.00 0.38 O ATOM 233 CB LYS A 26 3.106 5.069 -17.197 1.00 0.67 C ATOM 234 CG LYS A 26 4.401 4.720 -17.907 1.00 1.00 C ATOM 235 CD LYS A 26 4.312 3.358 -18.579 1.00 2.12 C ATOM 236 CE LYS A 26 3.815 2.296 -17.605 1.00 3.15 C ATOM 237 NZ LYS A 26 4.070 0.911 -18.085 1.00 4.25 N ATOM 0 H LYS A 26 4.729 4.904 -15.348 1.00 0.48 H new ATOM 0 HA LYS A 26 3.396 7.111 -16.640 1.00 0.53 H new ATOM 0 HB2 LYS A 26 2.705 4.170 -16.729 1.00 0.67 H new ATOM 0 HB3 LYS A 26 2.375 5.397 -17.936 1.00 0.67 H new ATOM 0 HG2 LYS A 26 4.626 5.482 -18.653 1.00 1.00 H new ATOM 0 HG3 LYS A 26 5.223 4.722 -17.191 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.639 3.415 -19.434 1.00 2.12 H new ATOM 0 HD3 LYS A 26 5.292 3.074 -18.963 1.00 2.12 H new ATOM 0 HE2 LYS A 26 4.303 2.437 -16.640 1.00 3.15 H new ATOM 0 HE3 LYS A 26 2.745 2.429 -17.444 1.00 3.15 H new ATOM 0 HZ1 LYS A 26 3.697 0.230 -17.393 1.00 4.25 H new ATOM 0 HZ2 LYS A 26 3.598 0.768 -19.001 1.00 4.25 H new ATOM 0 HZ3 LYS A 26 5.094 0.765 -18.197 1.00 4.25 H new ATOM 251 N PRO A 27 1.307 7.297 -15.200 1.00 0.41 N ATOM 252 CA PRO A 27 0.168 7.448 -14.296 1.00 0.37 C ATOM 253 C PRO A 27 -0.810 6.280 -14.367 1.00 0.32 C ATOM 254 O PRO A 27 -1.458 6.032 -15.385 1.00 0.36 O ATOM 255 CB PRO A 27 -0.471 8.748 -14.780 1.00 0.46 C ATOM 256 CG PRO A 27 0.695 9.528 -15.274 1.00 0.54 C ATOM 257 CD PRO A 27 1.556 8.522 -15.980 1.00 0.50 C ATOM 0 HA PRO A 27 0.467 7.467 -13.248 1.00 0.37 H new ATOM 0 HB2 PRO A 27 -1.201 8.570 -15.569 1.00 0.46 H new ATOM 0 HB3 PRO A 27 -0.992 9.266 -13.975 1.00 0.46 H new ATOM 0 HG2 PRO A 27 0.381 10.324 -15.949 1.00 0.54 H new ATOM 0 HG3 PRO A 27 1.232 10.001 -14.452 1.00 0.54 H new ATOM 0 HD2 PRO A 27 1.271 8.404 -17.025 1.00 0.50 H new ATOM 0 HD3 PRO A 27 2.608 8.806 -15.967 1.00 0.50 H new ATOM 265 N TYR A 28 -0.872 5.576 -13.252 1.00 0.28 N ATOM 266 CA TYR A 28 -1.785 4.467 -13.035 1.00 0.26 C ATOM 267 C TYR A 28 -3.166 4.957 -12.643 1.00 0.25 C ATOM 268 O TYR A 28 -3.316 5.889 -11.853 1.00 0.37 O ATOM 269 CB TYR A 28 -1.222 3.581 -11.925 1.00 0.30 C ATOM 270 CG TYR A 28 -1.928 2.268 -11.720 1.00 0.37 C ATOM 271 CD1 TYR A 28 -2.463 1.555 -12.782 1.00 0.50 C ATOM 272 CD2 TYR A 28 -2.035 1.733 -10.449 1.00 0.82 C ATOM 273 CE1 TYR A 28 -3.093 0.345 -12.577 1.00 0.64 C ATOM 274 CE2 TYR A 28 -2.655 0.530 -10.232 1.00 1.10 C ATOM 275 CZ TYR A 28 -3.187 -0.165 -11.297 1.00 0.92 C ATOM 276 OH TYR A 28 -3.820 -1.365 -11.080 1.00 1.20 O ATOM 0 H TYR A 28 -0.272 5.765 -12.449 1.00 0.28 H new ATOM 0 HA TYR A 28 -1.881 3.904 -13.964 1.00 0.26 H new ATOM 0 HB2 TYR A 28 -0.173 3.379 -12.143 1.00 0.30 H new ATOM 0 HB3 TYR A 28 -1.252 4.139 -10.989 1.00 0.30 H new ATOM 0 HD1 TYR A 28 -2.385 1.952 -13.783 1.00 0.50 H new ATOM 0 HD2 TYR A 28 -1.622 2.274 -9.611 1.00 0.82 H new ATOM 0 HE1 TYR A 28 -3.510 -0.200 -13.411 1.00 0.64 H new ATOM 0 HE2 TYR A 28 -2.726 0.129 -9.232 1.00 1.10 H new ATOM 0 HH TYR A 28 -4.783 -1.258 -11.228 1.00 1.20 H new ATOM 286 N ASN A 29 -4.160 4.302 -13.201 1.00 0.34 N ATOM 287 CA ASN A 29 -5.547 4.580 -12.903 1.00 0.42 C ATOM 288 C ASN A 29 -5.887 4.076 -11.506 1.00 0.34 C ATOM 289 O ASN A 29 -6.272 2.923 -11.328 1.00 0.44 O ATOM 290 CB ASN A 29 -6.441 3.906 -13.952 1.00 0.67 C ATOM 291 CG ASN A 29 -7.921 4.140 -13.720 1.00 0.73 C ATOM 292 OD1 ASN A 29 -8.758 3.303 -14.063 1.00 1.18 O ATOM 293 ND2 ASN A 29 -8.256 5.273 -13.136 1.00 1.51 N ATOM 0 H ASN A 29 -4.026 3.554 -13.881 1.00 0.34 H new ATOM 0 HA ASN A 29 -5.719 5.656 -12.933 1.00 0.42 H new ATOM 0 HB2 ASN A 29 -6.172 4.278 -14.941 1.00 0.67 H new ATOM 0 HB3 ASN A 29 -6.245 2.834 -13.951 1.00 0.67 H new ATOM 0 HD21 ASN A 29 -9.238 5.482 -12.953 1.00 1.51 H new ATOM 0 HD22 ASN A 29 -7.534 5.941 -12.867 1.00 1.51 H new ATOM 300 N LEU A 30 -5.724 4.935 -10.509 1.00 0.25 N ATOM 301 CA LEU A 30 -6.025 4.560 -9.139 1.00 0.20 C ATOM 302 C LEU A 30 -7.530 4.422 -8.957 1.00 0.19 C ATOM 303 O LEU A 30 -8.011 3.480 -8.322 1.00 0.19 O ATOM 304 CB LEU A 30 -5.475 5.599 -8.151 1.00 0.22 C ATOM 305 CG LEU A 30 -5.977 5.487 -6.717 1.00 0.22 C ATOM 306 CD1 LEU A 30 -5.564 4.160 -6.113 1.00 0.23 C ATOM 307 CD2 LEU A 30 -5.452 6.640 -5.884 1.00 0.28 C ATOM 0 H LEU A 30 -5.387 5.891 -10.624 1.00 0.25 H new ATOM 0 HA LEU A 30 -5.545 3.603 -8.934 1.00 0.20 H new ATOM 0 HB2 LEU A 30 -4.388 5.522 -8.142 1.00 0.22 H new ATOM 0 HB3 LEU A 30 -5.721 6.593 -8.525 1.00 0.22 H new ATOM 0 HG LEU A 30 -7.066 5.535 -6.725 1.00 0.22 H new ATOM 0 HD11 LEU A 30 -5.931 4.097 -5.089 1.00 0.23 H new ATOM 0 HD12 LEU A 30 -5.987 3.345 -6.701 1.00 0.23 H new ATOM 0 HD13 LEU A 30 -4.477 4.082 -6.115 1.00 0.23 H new ATOM 0 HD21 LEU A 30 -5.819 6.547 -4.862 1.00 0.28 H new ATOM 0 HD22 LEU A 30 -4.362 6.621 -5.882 1.00 0.28 H new ATOM 0 HD23 LEU A 30 -5.797 7.583 -6.309 1.00 0.28 H new ATOM 319 N VAL A 31 -8.261 5.358 -9.557 1.00 0.20 N ATOM 320 CA VAL A 31 -9.715 5.455 -9.406 1.00 0.19 C ATOM 321 C VAL A 31 -10.457 4.237 -9.958 1.00 0.20 C ATOM 322 O VAL A 31 -11.680 4.184 -9.913 1.00 0.23 O ATOM 323 CB VAL A 31 -10.284 6.730 -10.069 1.00 0.22 C ATOM 324 CG1 VAL A 31 -10.706 7.750 -9.039 1.00 1.02 C ATOM 325 CG2 VAL A 31 -9.276 7.354 -11.001 1.00 0.87 C ATOM 0 H VAL A 31 -7.863 6.074 -10.164 1.00 0.20 H new ATOM 0 HA VAL A 31 -9.883 5.500 -8.330 1.00 0.19 H new ATOM 0 HB VAL A 31 -11.161 6.424 -10.640 1.00 0.22 H new ATOM 0 HG11 VAL A 31 -11.101 8.633 -9.542 1.00 1.02 H new ATOM 0 HG12 VAL A 31 -11.477 7.322 -8.398 1.00 1.02 H new ATOM 0 HG13 VAL A 31 -9.845 8.032 -8.433 1.00 1.02 H new ATOM 0 HG21 VAL A 31 -9.704 8.249 -11.453 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -8.380 7.623 -10.441 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -9.014 6.642 -11.784 1.00 0.87 H new ATOM 335 N GLN A 32 -9.731 3.257 -10.481 1.00 0.21 N ATOM 336 CA GLN A 32 -10.363 2.032 -10.952 1.00 0.23 C ATOM 337 C GLN A 32 -10.789 1.169 -9.790 1.00 0.22 C ATOM 338 O GLN A 32 -11.448 0.145 -9.970 1.00 0.28 O ATOM 339 CB GLN A 32 -9.438 1.239 -11.877 1.00 0.26 C ATOM 340 CG GLN A 32 -8.243 0.633 -11.164 1.00 0.29 C ATOM 341 CD GLN A 32 -7.450 -0.318 -12.037 1.00 0.35 C ATOM 342 OE1 GLN A 32 -6.862 -1.274 -11.540 1.00 1.02 O ATOM 343 NE2 GLN A 32 -7.420 -0.059 -13.334 1.00 0.75 N ATOM 0 H GLN A 32 -8.717 3.285 -10.589 1.00 0.21 H new ATOM 0 HA GLN A 32 -11.245 2.323 -11.522 1.00 0.23 H new ATOM 0 HB2 GLN A 32 -10.009 0.442 -12.353 1.00 0.26 H new ATOM 0 HB3 GLN A 32 -9.083 1.895 -12.672 1.00 0.26 H new ATOM 0 HG2 GLN A 32 -7.588 1.434 -10.821 1.00 0.29 H new ATOM 0 HG3 GLN A 32 -8.588 0.101 -10.277 1.00 0.29 H new ATOM 0 HE21 GLN A 32 -7.923 0.747 -13.705 1.00 0.75 H new ATOM 0 HE22 GLN A 32 -6.893 -0.665 -13.963 1.00 0.75 H new ATOM 352 N HIS A 33 -10.403 1.570 -8.599 1.00 0.17 N ATOM 353 CA HIS A 33 -10.874 0.886 -7.408 1.00 0.16 C ATOM 354 C HIS A 33 -11.923 1.730 -6.718 1.00 0.16 C ATOM 355 O HIS A 33 -12.070 1.707 -5.502 1.00 0.17 O ATOM 356 CB HIS A 33 -9.713 0.563 -6.481 1.00 0.16 C ATOM 357 CG HIS A 33 -8.567 -0.049 -7.199 1.00 0.16 C ATOM 358 ND1 HIS A 33 -8.626 -1.315 -7.719 1.00 0.21 N ATOM 359 CD2 HIS A 33 -7.348 0.449 -7.537 1.00 0.22 C ATOM 360 CE1 HIS A 33 -7.507 -1.580 -8.347 1.00 0.27 C ATOM 361 NE2 HIS A 33 -6.708 -0.527 -8.264 1.00 0.28 N ATOM 0 H HIS A 33 -9.774 2.354 -8.427 1.00 0.17 H new ATOM 0 HA HIS A 33 -11.332 -0.061 -7.693 1.00 0.16 H new ATOM 0 HB2 HIS A 33 -9.382 1.476 -5.986 1.00 0.16 H new ATOM 0 HB3 HIS A 33 -10.054 -0.117 -5.700 1.00 0.16 H new ATOM 0 HD1 HIS A 33 -9.418 -1.952 -7.631 1.00 0.21 H new ATOM 0 HD2 HIS A 33 -6.958 1.423 -7.283 1.00 0.22 H new ATOM 0 HE1 HIS A 33 -7.274 -2.507 -8.851 1.00 0.27 H new ATOM 370 N LYS A 34 -12.637 2.495 -7.524 1.00 0.19 N ATOM 371 CA LYS A 34 -13.774 3.246 -7.050 1.00 0.19 C ATOM 372 C LYS A 34 -15.018 2.369 -7.090 1.00 0.21 C ATOM 373 O LYS A 34 -15.510 2.024 -8.165 1.00 0.33 O ATOM 374 CB LYS A 34 -13.991 4.487 -7.908 1.00 0.22 C ATOM 375 CG LYS A 34 -13.109 5.657 -7.536 1.00 0.28 C ATOM 376 CD LYS A 34 -13.768 6.974 -7.893 1.00 0.69 C ATOM 377 CE LYS A 34 -14.224 6.966 -9.334 1.00 1.01 C ATOM 378 NZ LYS A 34 -15.126 8.107 -9.639 1.00 1.56 N ATOM 0 H LYS A 34 -12.443 2.610 -8.519 1.00 0.19 H new ATOM 0 HA LYS A 34 -13.583 3.562 -6.024 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -13.813 4.229 -8.952 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.034 4.793 -7.828 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -12.897 5.631 -6.467 1.00 0.28 H new ATOM 0 HG3 LYS A 34 -12.153 5.574 -8.052 1.00 0.28 H new ATOM 0 HD2 LYS A 34 -14.620 7.150 -7.237 1.00 0.69 H new ATOM 0 HD3 LYS A 34 -13.067 7.793 -7.732 1.00 0.69 H new ATOM 0 HE2 LYS A 34 -13.354 7.006 -9.990 1.00 1.01 H new ATOM 0 HE3 LYS A 34 -14.740 6.029 -9.546 1.00 1.01 H new ATOM 0 HZ1 LYS A 34 -15.415 8.064 -10.637 1.00 1.56 H new ATOM 0 HZ2 LYS A 34 -15.969 8.055 -9.032 1.00 1.56 H new ATOM 0 HZ3 LYS A 34 -14.626 9.002 -9.462 1.00 1.56 H new ATOM 392 N GLY A 35 -15.510 2.007 -5.923 1.00 0.18 N ATOM 393 CA GLY A 35 -16.649 1.120 -5.826 1.00 0.20 C ATOM 394 C GLY A 35 -16.363 -0.036 -4.900 1.00 0.17 C ATOM 395 O GLY A 35 -17.217 -0.436 -4.109 1.00 0.20 O ATOM 0 H GLY A 35 -15.136 2.315 -5.025 1.00 0.18 H new ATOM 0 HA2 GLY A 35 -17.515 1.674 -5.464 1.00 0.20 H new ATOM 0 HA3 GLY A 35 -16.904 0.742 -6.816 1.00 0.20 H new ATOM 399 N SER A 36 -15.161 -0.581 -4.990 1.00 0.16 N ATOM 400 CA SER A 36 -14.714 -1.562 -4.042 1.00 0.16 C ATOM 401 C SER A 36 -13.358 -1.157 -3.512 1.00 0.14 C ATOM 402 O SER A 36 -12.458 -0.813 -4.276 1.00 0.16 O ATOM 403 CB SER A 36 -14.635 -2.936 -4.681 1.00 0.20 C ATOM 404 OG SER A 36 -15.864 -3.270 -5.305 1.00 0.29 O ATOM 0 H SER A 36 -14.482 -0.353 -5.716 1.00 0.16 H new ATOM 0 HA SER A 36 -15.430 -1.613 -3.222 1.00 0.16 H new ATOM 0 HB2 SER A 36 -13.831 -2.955 -5.417 1.00 0.20 H new ATOM 0 HB3 SER A 36 -14.392 -3.681 -3.924 1.00 0.20 H new ATOM 0 HG SER A 36 -15.690 -3.823 -6.095 1.00 0.29 H new ATOM 410 N PRO A 37 -13.230 -1.175 -2.188 1.00 0.12 N ATOM 411 CA PRO A 37 -12.005 -0.848 -1.466 1.00 0.12 C ATOM 412 C PRO A 37 -10.762 -1.456 -2.079 1.00 0.12 C ATOM 413 O PRO A 37 -10.808 -2.510 -2.706 1.00 0.15 O ATOM 414 CB PRO A 37 -12.257 -1.446 -0.068 1.00 0.15 C ATOM 415 CG PRO A 37 -13.515 -2.219 -0.196 1.00 0.18 C ATOM 416 CD PRO A 37 -14.288 -1.521 -1.256 1.00 0.15 C ATOM 0 HA PRO A 37 -11.813 0.225 -1.474 1.00 0.12 H new ATOM 0 HB2 PRO A 37 -11.431 -2.087 0.241 1.00 0.15 H new ATOM 0 HB3 PRO A 37 -12.351 -0.663 0.684 1.00 0.15 H new ATOM 0 HG2 PRO A 37 -13.316 -3.255 -0.470 1.00 0.18 H new ATOM 0 HG3 PRO A 37 -14.064 -2.238 0.745 1.00 0.18 H new ATOM 0 HD2 PRO A 37 -15.042 -2.165 -1.709 1.00 0.15 H new ATOM 0 HD3 PRO A 37 -14.807 -0.641 -0.876 1.00 0.15 H new ATOM 424 N LEU A 38 -9.662 -0.769 -1.889 1.00 0.14 N ATOM 425 CA LEU A 38 -8.359 -1.245 -2.292 1.00 0.13 C ATOM 426 C LEU A 38 -7.426 -1.094 -1.096 1.00 0.13 C ATOM 427 O LEU A 38 -7.620 -0.224 -0.267 1.00 0.20 O ATOM 428 CB LEU A 38 -7.809 -0.454 -3.482 1.00 0.16 C ATOM 429 CG LEU A 38 -7.684 1.052 -3.303 1.00 0.20 C ATOM 430 CD1 LEU A 38 -6.640 1.598 -4.246 1.00 0.31 C ATOM 431 CD2 LEU A 38 -8.991 1.759 -3.578 1.00 0.26 C ATOM 0 H LEU A 38 -9.645 0.149 -1.444 1.00 0.14 H new ATOM 0 HA LEU A 38 -8.435 -2.286 -2.607 1.00 0.13 H new ATOM 0 HB2 LEU A 38 -6.824 -0.850 -3.728 1.00 0.16 H new ATOM 0 HB3 LEU A 38 -8.452 -0.642 -4.342 1.00 0.16 H new ATOM 0 HG LEU A 38 -7.398 1.231 -2.267 1.00 0.20 H new ATOM 0 HD11 LEU A 38 -6.557 2.676 -4.112 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -5.678 1.131 -4.034 1.00 0.31 H new ATOM 0 HD13 LEU A 38 -6.930 1.382 -5.274 1.00 0.31 H new ATOM 0 HD21 LEU A 38 -8.860 2.832 -3.439 1.00 0.26 H new ATOM 0 HD22 LEU A 38 -9.303 1.561 -4.603 1.00 0.26 H new ATOM 0 HD23 LEU A 38 -9.754 1.395 -2.890 1.00 0.26 H new ATOM 443 N LEU A 39 -6.458 -1.954 -0.977 1.00 0.18 N ATOM 444 CA LEU A 39 -5.450 -1.827 0.048 1.00 0.19 C ATOM 445 C LEU A 39 -4.142 -1.491 -0.614 1.00 0.18 C ATOM 446 O LEU A 39 -3.597 -2.291 -1.369 1.00 0.21 O ATOM 447 CB LEU A 39 -5.282 -3.126 0.823 1.00 0.23 C ATOM 448 CG LEU A 39 -6.053 -3.273 2.144 1.00 0.35 C ATOM 449 CD1 LEU A 39 -5.340 -2.567 3.280 1.00 1.10 C ATOM 450 CD2 LEU A 39 -7.474 -2.758 2.019 1.00 1.19 C ATOM 0 H LEU A 39 -6.340 -2.765 -1.585 1.00 0.18 H new ATOM 0 HA LEU A 39 -5.756 -1.047 0.745 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -5.576 -3.947 0.169 1.00 0.23 H new ATOM 0 HB3 LEU A 39 -4.221 -3.254 1.038 1.00 0.23 H new ATOM 0 HG LEU A 39 -6.095 -4.338 2.372 1.00 0.35 H new ATOM 0 HD11 LEU A 39 -5.911 -2.690 4.200 1.00 1.10 H new ATOM 0 HD12 LEU A 39 -4.347 -2.997 3.409 1.00 1.10 H new ATOM 0 HD13 LEU A 39 -5.249 -1.506 3.049 1.00 1.10 H new ATOM 0 HD21 LEU A 39 -7.990 -2.878 2.972 1.00 1.19 H new ATOM 0 HD22 LEU A 39 -7.456 -1.703 1.746 1.00 1.19 H new ATOM 0 HD23 LEU A 39 -7.999 -3.323 1.249 1.00 1.19 H new ATOM 462 N ILE A 40 -3.657 -0.305 -0.385 1.00 0.19 N ATOM 463 CA ILE A 40 -2.383 0.073 -0.945 1.00 0.20 C ATOM 464 C ILE A 40 -1.274 -0.124 0.080 1.00 0.18 C ATOM 465 O ILE A 40 -1.363 0.379 1.202 1.00 0.20 O ATOM 466 CB ILE A 40 -2.429 1.518 -1.429 1.00 0.23 C ATOM 467 CG1 ILE A 40 -3.779 1.784 -2.089 1.00 0.30 C ATOM 468 CG2 ILE A 40 -1.296 1.793 -2.405 1.00 0.37 C ATOM 469 CD1 ILE A 40 -3.832 3.128 -2.756 1.00 0.35 C ATOM 0 H ILE A 40 -4.114 0.412 0.178 1.00 0.19 H new ATOM 0 HA ILE A 40 -2.170 -0.567 -1.801 1.00 0.20 H new ATOM 0 HB ILE A 40 -2.306 2.186 -0.576 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -3.980 1.007 -2.826 1.00 0.30 H new ATOM 0 HG13 ILE A 40 -4.567 1.722 -1.338 1.00 0.30 H new ATOM 0 HG21 ILE A 40 -1.347 2.829 -2.739 1.00 0.37 H new ATOM 0 HG22 ILE A 40 -0.340 1.617 -1.912 1.00 0.37 H new ATOM 0 HG23 ILE A 40 -1.388 1.130 -3.265 1.00 0.37 H new ATOM 0 HD11 ILE A 40 -4.812 3.270 -3.211 1.00 0.35 H new ATOM 0 HD12 ILE A 40 -3.659 3.909 -2.015 1.00 0.35 H new ATOM 0 HD13 ILE A 40 -3.063 3.182 -3.527 1.00 0.35 H new ATOM 481 N TYR A 41 -0.253 -0.886 -0.298 1.00 0.18 N ATOM 482 CA TYR A 41 0.821 -1.233 0.608 1.00 0.19 C ATOM 483 C TYR A 41 2.100 -0.518 0.196 1.00 0.20 C ATOM 484 O TYR A 41 2.567 -0.676 -0.923 1.00 0.27 O ATOM 485 CB TYR A 41 1.096 -2.758 0.608 1.00 0.20 C ATOM 486 CG TYR A 41 -0.073 -3.668 0.953 1.00 0.20 C ATOM 487 CD1 TYR A 41 -1.357 -3.357 0.526 1.00 0.27 C ATOM 488 CD2 TYR A 41 0.091 -4.800 1.728 1.00 0.29 C ATOM 489 CE1 TYR A 41 -2.439 -4.147 0.866 1.00 0.32 C ATOM 490 CE2 TYR A 41 -0.979 -5.595 2.062 1.00 0.35 C ATOM 491 CZ TYR A 41 -2.174 -5.392 1.529 1.00 0.33 C ATOM 492 OH TYR A 41 -3.304 -6.053 1.999 1.00 0.42 O ATOM 0 H TYR A 41 -0.152 -1.275 -1.236 1.00 0.18 H new ATOM 0 HA TYR A 41 0.514 -0.927 1.608 1.00 0.19 H new ATOM 0 HB2 TYR A 41 1.463 -3.037 -0.380 1.00 0.20 H new ATOM 0 HB3 TYR A 41 1.901 -2.958 1.315 1.00 0.20 H new ATOM 0 HD1 TYR A 41 -1.514 -2.480 -0.084 1.00 0.27 H new ATOM 0 HD2 TYR A 41 1.078 -5.065 2.078 1.00 0.29 H new ATOM 0 HE1 TYR A 41 -3.449 -3.838 0.641 1.00 0.32 H new ATOM 0 HE2 TYR A 41 -0.843 -6.398 2.771 1.00 0.35 H new ATOM 0 HH TYR A 41 -4.087 -5.472 1.901 1.00 0.42 H new ATOM 502 N ASN A 42 2.661 0.247 1.107 1.00 0.28 N ATOM 503 CA ASN A 42 3.984 0.829 0.928 1.00 0.34 C ATOM 504 C ASN A 42 5.007 -0.235 1.278 1.00 0.37 C ATOM 505 O ASN A 42 5.411 -0.409 2.421 1.00 0.54 O ATOM 506 CB ASN A 42 4.133 2.043 1.827 1.00 0.46 C ATOM 507 CG ASN A 42 3.656 1.780 3.230 1.00 1.50 C ATOM 508 OD1 ASN A 42 2.475 1.930 3.524 1.00 2.27 O ATOM 509 ND2 ASN A 42 4.567 1.399 4.110 1.00 2.35 N ATOM 0 H ASN A 42 2.218 0.486 1.994 1.00 0.28 H new ATOM 0 HA ASN A 42 4.132 1.157 -0.101 1.00 0.34 H new ATOM 0 HB2 ASN A 42 5.180 2.346 1.853 1.00 0.46 H new ATOM 0 HB3 ASN A 42 3.570 2.876 1.405 1.00 0.46 H new ATOM 0 HD21 ASN A 42 4.298 1.218 5.077 1.00 2.35 H new ATOM 0 HD22 ASN A 42 5.539 1.287 3.822 1.00 2.35 H new ATOM 516 N VAL A 43 5.448 -0.927 0.278 1.00 0.36 N ATOM 517 CA VAL A 43 6.078 -2.202 0.482 1.00 0.38 C ATOM 518 C VAL A 43 7.585 -2.114 0.319 1.00 0.42 C ATOM 519 O VAL A 43 8.082 -1.517 -0.622 1.00 0.50 O ATOM 520 CB VAL A 43 5.469 -3.215 -0.511 1.00 0.39 C ATOM 521 CG1 VAL A 43 5.258 -2.578 -1.862 1.00 1.03 C ATOM 522 CG2 VAL A 43 6.329 -4.435 -0.668 1.00 0.98 C ATOM 0 H VAL A 43 5.385 -0.633 -0.697 1.00 0.36 H new ATOM 0 HA VAL A 43 5.895 -2.533 1.504 1.00 0.38 H new ATOM 0 HB VAL A 43 4.509 -3.523 -0.097 1.00 0.39 H new ATOM 0 HG11 VAL A 43 4.828 -3.310 -2.546 1.00 1.03 H new ATOM 0 HG12 VAL A 43 4.579 -1.731 -1.763 1.00 1.03 H new ATOM 0 HG13 VAL A 43 6.214 -2.232 -2.255 1.00 1.03 H new ATOM 0 HG21 VAL A 43 5.862 -5.120 -1.375 1.00 0.98 H new ATOM 0 HG22 VAL A 43 7.311 -4.143 -1.040 1.00 0.98 H new ATOM 0 HG23 VAL A 43 6.439 -4.929 0.297 1.00 0.98 H new ATOM 532 N ALA A 44 8.321 -2.671 1.264 1.00 0.50 N ATOM 533 CA ALA A 44 9.755 -2.727 1.112 1.00 0.59 C ATOM 534 C ALA A 44 10.126 -3.900 0.223 1.00 0.58 C ATOM 535 O ALA A 44 10.077 -5.052 0.647 1.00 0.88 O ATOM 536 CB ALA A 44 10.466 -2.803 2.455 1.00 0.83 C ATOM 0 H ALA A 44 7.956 -3.081 2.124 1.00 0.50 H new ATOM 0 HA ALA A 44 10.087 -1.803 0.638 1.00 0.59 H new ATOM 0 HB1 ALA A 44 11.543 -2.844 2.295 1.00 0.83 H new ATOM 0 HB2 ALA A 44 10.220 -1.922 3.047 1.00 0.83 H new ATOM 0 HB3 ALA A 44 10.144 -3.699 2.987 1.00 0.83 H new ATOM 542 N SER A 45 10.394 -3.549 -1.025 1.00 0.57 N ATOM 543 CA SER A 45 10.935 -4.431 -2.069 1.00 0.63 C ATOM 544 C SER A 45 11.476 -5.765 -1.541 1.00 1.01 C ATOM 545 O SER A 45 10.829 -6.804 -1.701 1.00 1.78 O ATOM 546 CB SER A 45 12.027 -3.661 -2.814 1.00 0.73 C ATOM 547 OG SER A 45 12.959 -3.097 -1.902 1.00 1.62 O ATOM 0 H SER A 45 10.236 -2.599 -1.362 1.00 0.57 H new ATOM 0 HA SER A 45 10.116 -4.705 -2.734 1.00 0.63 H new ATOM 0 HB2 SER A 45 12.544 -4.329 -3.502 1.00 0.73 H new ATOM 0 HB3 SER A 45 11.576 -2.871 -3.415 1.00 0.73 H new ATOM 0 HG SER A 45 13.077 -2.145 -2.102 1.00 1.62 H new ATOM 553 N LYS A 46 12.660 -5.725 -0.933 1.00 1.32 N ATOM 554 CA LYS A 46 13.280 -6.902 -0.319 1.00 1.69 C ATOM 555 C LYS A 46 13.657 -7.974 -1.332 1.00 1.14 C ATOM 556 O LYS A 46 13.369 -7.878 -2.531 1.00 1.47 O ATOM 557 CB LYS A 46 12.362 -7.527 0.731 1.00 2.68 C ATOM 558 CG LYS A 46 12.741 -7.193 2.166 1.00 3.45 C ATOM 559 CD LYS A 46 12.359 -5.776 2.544 1.00 4.39 C ATOM 560 CE LYS A 46 12.797 -5.443 3.960 1.00 5.19 C ATOM 561 NZ LYS A 46 12.469 -6.532 4.918 1.00 5.84 N ATOM 0 H LYS A 46 13.219 -4.876 -0.851 1.00 1.32 H new ATOM 0 HA LYS A 46 14.194 -6.537 0.149 1.00 1.69 H new ATOM 0 HB2 LYS A 46 11.340 -7.193 0.549 1.00 2.68 H new ATOM 0 HB3 LYS A 46 12.371 -8.610 0.607 1.00 2.68 H new ATOM 0 HG2 LYS A 46 12.249 -7.893 2.842 1.00 3.45 H new ATOM 0 HG3 LYS A 46 13.815 -7.325 2.296 1.00 3.45 H new ATOM 0 HD2 LYS A 46 12.817 -5.075 1.846 1.00 4.39 H new ATOM 0 HD3 LYS A 46 11.279 -5.653 2.457 1.00 4.39 H new ATOM 0 HE2 LYS A 46 13.872 -5.261 3.973 1.00 5.19 H new ATOM 0 HE3 LYS A 46 12.313 -4.520 4.281 1.00 5.19 H new ATOM 0 HZ1 LYS A 46 12.280 -6.124 5.856 1.00 5.84 H new ATOM 0 HZ2 LYS A 46 11.626 -7.044 4.587 1.00 5.84 H new ATOM 0 HZ3 LYS A 46 13.271 -7.191 4.982 1.00 5.84 H new ATOM 575 N CYS A 47 14.339 -8.986 -0.828 1.00 1.21 N ATOM 576 CA CYS A 47 14.611 -10.185 -1.584 1.00 1.53 C ATOM 577 C CYS A 47 14.696 -11.361 -0.619 1.00 1.99 C ATOM 578 O CYS A 47 15.589 -11.417 0.225 1.00 2.46 O ATOM 579 CB CYS A 47 15.923 -10.039 -2.360 1.00 2.04 C ATOM 580 SG CYS A 47 16.284 -11.414 -3.477 1.00 3.55 S ATOM 0 H CYS A 47 14.719 -8.995 0.119 1.00 1.21 H new ATOM 0 HA CYS A 47 13.810 -10.356 -2.303 1.00 1.53 H new ATOM 0 HB2 CYS A 47 15.889 -9.116 -2.938 1.00 2.04 H new ATOM 0 HB3 CYS A 47 16.743 -9.939 -1.649 1.00 2.04 H new ATOM 0 HG CYS A 47 17.411 -11.194 -4.086 1.00 3.55 H new ATOM 586 N GLY A 48 13.759 -12.288 -0.740 1.00 2.39 N ATOM 587 CA GLY A 48 13.793 -13.490 0.069 1.00 2.91 C ATOM 588 C GLY A 48 13.100 -13.351 1.417 1.00 2.40 C ATOM 589 O GLY A 48 13.022 -14.323 2.170 1.00 2.46 O ATOM 0 H GLY A 48 12.972 -12.230 -1.386 1.00 2.39 H new ATOM 0 HA2 GLY A 48 13.324 -14.302 -0.486 1.00 2.91 H new ATOM 0 HA3 GLY A 48 14.832 -13.775 0.234 1.00 2.91 H new ATOM 593 N TYR A 49 12.588 -12.165 1.736 1.00 2.15 N ATOM 594 CA TYR A 49 11.950 -11.952 3.033 1.00 1.79 C ATOM 595 C TYR A 49 10.756 -11.005 2.945 1.00 1.42 C ATOM 596 O TYR A 49 10.820 -9.951 2.316 1.00 1.67 O ATOM 597 CB TYR A 49 12.963 -11.414 4.055 1.00 2.10 C ATOM 598 CG TYR A 49 12.343 -11.024 5.383 1.00 2.40 C ATOM 599 CD1 TYR A 49 11.854 -11.986 6.259 1.00 2.66 C ATOM 600 CD2 TYR A 49 12.233 -9.689 5.753 1.00 3.01 C ATOM 601 CE1 TYR A 49 11.279 -11.628 7.466 1.00 3.26 C ATOM 602 CE2 TYR A 49 11.659 -9.324 6.955 1.00 3.74 C ATOM 603 CZ TYR A 49 11.183 -10.295 7.808 1.00 3.76 C ATOM 604 OH TYR A 49 10.609 -9.931 9.005 1.00 4.63 O ATOM 0 H TYR A 49 12.601 -11.348 1.125 1.00 2.15 H new ATOM 0 HA TYR A 49 11.580 -12.923 3.363 1.00 1.79 H new ATOM 0 HB2 TYR A 49 13.727 -12.172 4.230 1.00 2.10 H new ATOM 0 HB3 TYR A 49 13.467 -10.546 3.631 1.00 2.10 H new ATOM 0 HD1 TYR A 49 11.924 -13.030 5.993 1.00 2.66 H new ATOM 0 HD2 TYR A 49 12.603 -8.923 5.088 1.00 3.01 H new ATOM 0 HE1 TYR A 49 10.907 -12.388 8.137 1.00 3.26 H new ATOM 0 HE2 TYR A 49 11.584 -8.281 7.225 1.00 3.74 H new ATOM 0 HH TYR A 49 10.622 -8.955 9.090 1.00 4.63 H new ATOM 614 N THR A 50 9.668 -11.411 3.581 1.00 1.05 N ATOM 615 CA THR A 50 8.505 -10.564 3.780 1.00 0.81 C ATOM 616 C THR A 50 8.009 -10.756 5.217 1.00 0.77 C ATOM 617 O THR A 50 8.171 -11.843 5.779 1.00 1.44 O ATOM 618 CB THR A 50 7.379 -10.916 2.786 1.00 1.09 C ATOM 619 OG1 THR A 50 6.314 -9.959 2.889 1.00 1.93 O ATOM 620 CG2 THR A 50 6.840 -12.318 3.040 1.00 1.87 C ATOM 0 H THR A 50 9.568 -12.346 3.976 1.00 1.05 H new ATOM 0 HA THR A 50 8.785 -9.525 3.606 1.00 0.81 H new ATOM 0 HB THR A 50 7.796 -10.887 1.779 1.00 1.09 H new ATOM 0 HG1 THR A 50 5.889 -10.036 3.769 1.00 1.93 H new ATOM 0 HG21 THR A 50 6.048 -12.538 2.325 1.00 1.87 H new ATOM 0 HG22 THR A 50 7.645 -13.044 2.925 1.00 1.87 H new ATOM 0 HG23 THR A 50 6.441 -12.376 4.053 1.00 1.87 H new ATOM 628 N LYS A 51 7.421 -9.731 5.828 1.00 0.61 N ATOM 629 CA LYS A 51 6.917 -9.877 7.189 1.00 0.56 C ATOM 630 C LYS A 51 5.441 -10.257 7.160 1.00 0.76 C ATOM 631 O LYS A 51 4.630 -9.674 7.865 1.00 1.55 O ATOM 632 CB LYS A 51 7.109 -8.590 8.002 1.00 0.59 C ATOM 633 CG LYS A 51 7.117 -8.846 9.503 1.00 1.22 C ATOM 634 CD LYS A 51 7.165 -7.562 10.316 1.00 1.39 C ATOM 635 CE LYS A 51 8.376 -6.714 9.972 1.00 1.46 C ATOM 636 NZ LYS A 51 8.587 -5.625 10.965 1.00 2.01 N ATOM 0 H LYS A 51 7.284 -8.809 5.413 1.00 0.61 H new ATOM 0 HA LYS A 51 7.488 -10.669 7.674 1.00 0.56 H new ATOM 0 HB2 LYS A 51 8.047 -8.117 7.712 1.00 0.59 H new ATOM 0 HB3 LYS A 51 6.311 -7.889 7.760 1.00 0.59 H new ATOM 0 HG2 LYS A 51 6.226 -9.411 9.776 1.00 1.22 H new ATOM 0 HG3 LYS A 51 7.977 -9.465 9.757 1.00 1.22 H new ATOM 0 HD2 LYS A 51 6.257 -6.986 10.137 1.00 1.39 H new ATOM 0 HD3 LYS A 51 7.184 -7.806 11.378 1.00 1.39 H new ATOM 0 HE2 LYS A 51 9.263 -7.346 9.932 1.00 1.46 H new ATOM 0 HE3 LYS A 51 8.247 -6.282 8.980 1.00 1.46 H new ATOM 0 HZ1 LYS A 51 9.423 -5.067 10.696 1.00 2.01 H new ATOM 0 HZ2 LYS A 51 7.751 -5.007 10.986 1.00 2.01 H new ATOM 0 HZ3 LYS A 51 8.735 -6.039 11.908 1.00 2.01 H new ATOM 650 N GLY A 52 5.099 -11.224 6.321 1.00 0.45 N ATOM 651 CA GLY A 52 3.712 -11.642 6.187 1.00 0.51 C ATOM 652 C GLY A 52 2.977 -10.862 5.115 1.00 0.41 C ATOM 653 O GLY A 52 2.131 -11.415 4.410 1.00 0.41 O ATOM 0 H GLY A 52 5.757 -11.730 5.728 1.00 0.45 H new ATOM 0 HA2 GLY A 52 3.677 -12.705 5.948 1.00 0.51 H new ATOM 0 HA3 GLY A 52 3.202 -11.512 7.142 1.00 0.51 H new ATOM 657 N GLY A 53 3.325 -9.579 4.996 1.00 0.44 N ATOM 658 CA GLY A 53 2.720 -8.682 4.017 1.00 0.50 C ATOM 659 C GLY A 53 2.513 -9.314 2.654 1.00 0.36 C ATOM 660 O GLY A 53 1.464 -9.141 2.049 1.00 0.32 O ATOM 0 H GLY A 53 4.035 -9.135 5.578 1.00 0.44 H new ATOM 0 HA2 GLY A 53 1.758 -8.339 4.398 1.00 0.50 H new ATOM 0 HA3 GLY A 53 3.352 -7.801 3.906 1.00 0.50 H new ATOM 664 N TYR A 54 3.511 -10.046 2.178 1.00 0.37 N ATOM 665 CA TYR A 54 3.476 -10.613 0.834 1.00 0.36 C ATOM 666 C TYR A 54 2.289 -11.542 0.649 1.00 0.26 C ATOM 667 O TYR A 54 1.437 -11.307 -0.207 1.00 0.25 O ATOM 668 CB TYR A 54 4.754 -11.385 0.558 1.00 0.45 C ATOM 669 CG TYR A 54 5.298 -11.203 -0.837 1.00 0.41 C ATOM 670 CD1 TYR A 54 4.427 -10.976 -1.885 1.00 0.45 C ATOM 671 CD2 TYR A 54 6.665 -11.252 -1.106 1.00 0.53 C ATOM 672 CE1 TYR A 54 4.887 -10.801 -3.165 1.00 0.46 C ATOM 673 CE2 TYR A 54 7.145 -11.071 -2.392 1.00 0.65 C ATOM 674 CZ TYR A 54 6.354 -10.889 -3.384 1.00 0.56 C ATOM 675 OH TYR A 54 6.690 -10.644 -4.702 1.00 0.70 O ATOM 0 H TYR A 54 4.358 -10.262 2.703 1.00 0.37 H new ATOM 0 HA TYR A 54 3.381 -9.783 0.134 1.00 0.36 H new ATOM 0 HB2 TYR A 54 5.514 -11.076 1.275 1.00 0.45 H new ATOM 0 HB3 TYR A 54 4.568 -12.446 0.728 1.00 0.45 H new ATOM 0 HD1 TYR A 54 3.365 -10.936 -1.693 1.00 0.45 H new ATOM 0 HD2 TYR A 54 7.360 -11.434 -0.299 1.00 0.53 H new ATOM 0 HE1 TYR A 54 4.209 -10.607 -3.983 1.00 0.46 H new ATOM 0 HE2 TYR A 54 8.211 -11.083 -2.563 1.00 0.65 H new ATOM 0 HH TYR A 54 7.662 -10.709 -4.809 1.00 0.70 H new ATOM 685 N GLU A 55 2.240 -12.590 1.459 1.00 0.25 N ATOM 686 CA GLU A 55 1.200 -13.604 1.343 1.00 0.27 C ATOM 687 C GLU A 55 -0.161 -12.966 1.559 1.00 0.22 C ATOM 688 O GLU A 55 -1.154 -13.345 0.933 1.00 0.25 O ATOM 689 CB GLU A 55 1.410 -14.700 2.382 1.00 0.36 C ATOM 690 CG GLU A 55 2.850 -15.147 2.513 1.00 1.14 C ATOM 691 CD GLU A 55 3.029 -16.163 3.619 1.00 1.92 C ATOM 692 OE1 GLU A 55 2.816 -17.367 3.369 1.00 2.39 O ATOM 693 OE2 GLU A 55 3.399 -15.763 4.742 1.00 2.61 O ATOM 0 H GLU A 55 2.912 -12.761 2.207 1.00 0.25 H new ATOM 0 HA GLU A 55 1.249 -14.042 0.346 1.00 0.27 H new ATOM 0 HB2 GLU A 55 1.061 -14.342 3.350 1.00 0.36 H new ATOM 0 HB3 GLU A 55 0.794 -15.560 2.119 1.00 0.36 H new ATOM 0 HG2 GLU A 55 3.184 -15.577 1.568 1.00 1.14 H new ATOM 0 HG3 GLU A 55 3.482 -14.281 2.710 1.00 1.14 H new ATOM 700 N THR A 56 -0.176 -11.983 2.441 1.00 0.25 N ATOM 701 CA THR A 56 -1.367 -11.243 2.770 1.00 0.24 C ATOM 702 C THR A 56 -1.879 -10.510 1.547 1.00 0.21 C ATOM 703 O THR A 56 -2.982 -10.764 1.073 1.00 0.22 O ATOM 704 CB THR A 56 -1.055 -10.231 3.886 1.00 0.26 C ATOM 705 OG1 THR A 56 -0.664 -10.927 5.074 1.00 0.33 O ATOM 706 CG2 THR A 56 -2.245 -9.338 4.177 1.00 0.25 C ATOM 0 H THR A 56 0.652 -11.677 2.952 1.00 0.25 H new ATOM 0 HA THR A 56 -2.133 -11.938 3.114 1.00 0.24 H new ATOM 0 HB THR A 56 -0.237 -9.596 3.546 1.00 0.26 H new ATOM 0 HG1 THR A 56 0.282 -11.174 5.012 1.00 0.33 H new ATOM 0 HG21 THR A 56 -1.988 -8.636 4.970 1.00 0.25 H new ATOM 0 HG22 THR A 56 -2.514 -8.785 3.277 1.00 0.25 H new ATOM 0 HG23 THR A 56 -3.090 -9.949 4.493 1.00 0.25 H new ATOM 714 N ALA A 57 -1.036 -9.648 1.021 1.00 0.19 N ATOM 715 CA ALA A 57 -1.372 -8.826 -0.118 1.00 0.20 C ATOM 716 C ALA A 57 -1.711 -9.673 -1.333 1.00 0.19 C ATOM 717 O ALA A 57 -2.735 -9.456 -1.981 1.00 0.22 O ATOM 718 CB ALA A 57 -0.211 -7.906 -0.423 1.00 0.22 C ATOM 0 H ALA A 57 -0.091 -9.498 1.375 1.00 0.19 H new ATOM 0 HA ALA A 57 -2.256 -8.236 0.124 1.00 0.20 H new ATOM 0 HB1 ALA A 57 -0.457 -7.282 -1.282 1.00 0.22 H new ATOM 0 HB2 ALA A 57 -0.012 -7.272 0.441 1.00 0.22 H new ATOM 0 HB3 ALA A 57 0.675 -8.500 -0.648 1.00 0.22 H new ATOM 724 N THR A 58 -0.844 -10.638 -1.636 1.00 0.17 N ATOM 725 CA THR A 58 -1.014 -11.484 -2.803 1.00 0.17 C ATOM 726 C THR A 58 -2.389 -12.157 -2.781 1.00 0.17 C ATOM 727 O THR A 58 -3.169 -12.063 -3.736 1.00 0.19 O ATOM 728 CB THR A 58 0.074 -12.571 -2.860 1.00 0.20 C ATOM 729 OG1 THR A 58 1.369 -11.962 -2.784 1.00 0.24 O ATOM 730 CG2 THR A 58 -0.034 -13.382 -4.143 1.00 0.26 C ATOM 0 H THR A 58 -0.014 -10.849 -1.082 1.00 0.17 H new ATOM 0 HA THR A 58 -0.930 -10.849 -3.685 1.00 0.17 H new ATOM 0 HB THR A 58 -0.067 -13.243 -2.014 1.00 0.20 H new ATOM 0 HG1 THR A 58 1.672 -11.952 -1.852 1.00 0.24 H new ATOM 0 HG21 THR A 58 0.746 -14.143 -4.159 1.00 0.26 H new ATOM 0 HG22 THR A 58 -1.011 -13.863 -4.188 1.00 0.26 H new ATOM 0 HG23 THR A 58 0.086 -12.722 -5.002 1.00 0.26 H new ATOM 738 N THR A 59 -2.689 -12.799 -1.655 1.00 0.16 N ATOM 739 CA THR A 59 -3.922 -13.550 -1.495 1.00 0.17 C ATOM 740 C THR A 59 -5.133 -12.622 -1.398 1.00 0.16 C ATOM 741 O THR A 59 -6.219 -12.965 -1.853 1.00 0.19 O ATOM 742 CB THR A 59 -3.857 -14.449 -0.245 1.00 0.20 C ATOM 743 OG1 THR A 59 -2.672 -15.257 -0.290 1.00 0.48 O ATOM 744 CG2 THR A 59 -5.079 -15.349 -0.154 1.00 0.46 C ATOM 0 H THR A 59 -2.084 -12.811 -0.834 1.00 0.16 H new ATOM 0 HA THR A 59 -4.036 -14.176 -2.380 1.00 0.17 H new ATOM 0 HB THR A 59 -3.834 -13.806 0.635 1.00 0.20 H new ATOM 0 HG1 THR A 59 -1.930 -14.773 0.128 1.00 0.48 H new ATOM 0 HG21 THR A 59 -5.006 -15.972 0.737 1.00 0.46 H new ATOM 0 HG22 THR A 59 -5.979 -14.736 -0.096 1.00 0.46 H new ATOM 0 HG23 THR A 59 -5.129 -15.985 -1.038 1.00 0.46 H new ATOM 752 N LEU A 60 -4.935 -11.440 -0.835 1.00 0.13 N ATOM 753 CA LEU A 60 -6.018 -10.500 -0.632 1.00 0.13 C ATOM 754 C LEU A 60 -6.453 -9.910 -1.934 1.00 0.13 C ATOM 755 O LEU A 60 -7.641 -9.902 -2.260 1.00 0.15 O ATOM 756 CB LEU A 60 -5.584 -9.397 0.300 1.00 0.13 C ATOM 757 CG LEU A 60 -5.788 -9.735 1.759 1.00 0.14 C ATOM 758 CD1 LEU A 60 -5.226 -8.644 2.645 1.00 0.43 C ATOM 759 CD2 LEU A 60 -7.270 -9.923 2.007 1.00 0.35 C ATOM 0 H LEU A 60 -4.026 -11.111 -0.510 1.00 0.13 H new ATOM 0 HA LEU A 60 -6.856 -11.038 -0.189 1.00 0.13 H new ATOM 0 HB2 LEU A 60 -4.530 -9.179 0.128 1.00 0.13 H new ATOM 0 HB3 LEU A 60 -6.140 -8.490 0.063 1.00 0.13 H new ATOM 0 HG LEU A 60 -5.258 -10.656 2.002 1.00 0.14 H new ATOM 0 HD11 LEU A 60 -5.383 -8.907 3.691 1.00 0.43 H new ATOM 0 HD12 LEU A 60 -4.158 -8.535 2.455 1.00 0.43 H new ATOM 0 HD13 LEU A 60 -5.731 -7.703 2.428 1.00 0.43 H new ATOM 0 HD21 LEU A 60 -7.435 -10.168 3.056 1.00 0.35 H new ATOM 0 HD22 LEU A 60 -7.800 -9.003 1.761 1.00 0.35 H new ATOM 0 HD23 LEU A 60 -7.643 -10.734 1.382 1.00 0.35 H new ATOM 771 N TYR A 61 -5.473 -9.419 -2.671 1.00 0.14 N ATOM 772 CA TYR A 61 -5.720 -8.839 -3.959 1.00 0.15 C ATOM 773 C TYR A 61 -6.529 -9.791 -4.799 1.00 0.17 C ATOM 774 O TYR A 61 -7.651 -9.494 -5.115 1.00 0.22 O ATOM 775 CB TYR A 61 -4.408 -8.517 -4.655 1.00 0.17 C ATOM 776 CG TYR A 61 -4.611 -7.843 -5.983 1.00 0.18 C ATOM 777 CD1 TYR A 61 -5.768 -7.145 -6.256 1.00 0.16 C ATOM 778 CD2 TYR A 61 -3.636 -7.913 -6.966 1.00 0.28 C ATOM 779 CE1 TYR A 61 -5.959 -6.534 -7.480 1.00 0.18 C ATOM 780 CE2 TYR A 61 -3.816 -7.307 -8.191 1.00 0.31 C ATOM 781 CZ TYR A 61 -4.989 -6.579 -8.424 1.00 0.23 C ATOM 782 OH TYR A 61 -5.173 -6.012 -9.664 1.00 0.28 O ATOM 0 H TYR A 61 -4.493 -9.415 -2.387 1.00 0.14 H new ATOM 0 HA TYR A 61 -6.279 -7.913 -3.827 1.00 0.15 H new ATOM 0 HB2 TYR A 61 -3.808 -7.873 -4.012 1.00 0.17 H new ATOM 0 HB3 TYR A 61 -3.842 -9.437 -4.801 1.00 0.17 H new ATOM 0 HD1 TYR A 61 -6.537 -7.075 -5.501 1.00 0.16 H new ATOM 0 HD2 TYR A 61 -2.721 -8.451 -6.769 1.00 0.28 H new ATOM 0 HE1 TYR A 61 -6.886 -6.018 -7.685 1.00 0.18 H new ATOM 0 HE2 TYR A 61 -3.063 -7.393 -8.960 1.00 0.31 H new ATOM 0 HH TYR A 61 -4.367 -6.143 -10.206 1.00 0.28 H new ATOM 792 N ASN A 62 -6.004 -10.973 -5.054 1.00 0.18 N ATOM 793 CA ASN A 62 -6.623 -11.880 -6.006 1.00 0.22 C ATOM 794 C ASN A 62 -7.933 -12.431 -5.462 1.00 0.20 C ATOM 795 O ASN A 62 -8.813 -12.813 -6.234 1.00 0.24 O ATOM 796 CB ASN A 62 -5.682 -13.019 -6.400 1.00 0.27 C ATOM 797 CG ASN A 62 -5.715 -14.161 -5.419 1.00 0.75 C ATOM 798 OD1 ASN A 62 -6.516 -15.087 -5.543 1.00 1.21 O ATOM 799 ND2 ASN A 62 -4.841 -14.114 -4.447 1.00 1.12 N ATOM 0 H ASN A 62 -5.153 -11.329 -4.618 1.00 0.18 H new ATOM 0 HA ASN A 62 -6.838 -11.304 -6.906 1.00 0.22 H new ATOM 0 HB2 ASN A 62 -5.956 -13.386 -7.389 1.00 0.27 H new ATOM 0 HB3 ASN A 62 -4.664 -12.636 -6.473 1.00 0.27 H new ATOM 0 HD21 ASN A 62 -4.806 -14.863 -3.756 1.00 1.12 H new ATOM 0 HD22 ASN A 62 -4.194 -13.328 -4.380 1.00 1.12 H new ATOM 806 N LYS A 63 -8.087 -12.462 -4.139 1.00 0.18 N ATOM 807 CA LYS A 63 -9.290 -13.020 -3.568 1.00 0.20 C ATOM 808 C LYS A 63 -10.400 -12.011 -3.730 1.00 0.18 C ATOM 809 O LYS A 63 -11.583 -12.359 -3.713 1.00 0.22 O ATOM 810 CB LYS A 63 -9.087 -13.397 -2.089 1.00 0.26 C ATOM 811 CG LYS A 63 -10.323 -13.991 -1.422 1.00 0.29 C ATOM 812 CD LYS A 63 -9.970 -14.811 -0.186 1.00 0.64 C ATOM 813 CE LYS A 63 -9.395 -13.948 0.927 1.00 0.91 C ATOM 814 NZ LYS A 63 -9.181 -14.725 2.178 1.00 1.54 N ATOM 0 H LYS A 63 -7.406 -12.114 -3.464 1.00 0.18 H new ATOM 0 HA LYS A 63 -9.551 -13.942 -4.088 1.00 0.20 H new ATOM 0 HB2 LYS A 63 -8.269 -14.114 -2.017 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -8.782 -12.508 -1.537 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.004 -13.188 -1.141 1.00 0.29 H new ATOM 0 HG3 LYS A 63 -10.852 -14.622 -2.136 1.00 0.29 H new ATOM 0 HD2 LYS A 63 -10.862 -15.323 0.176 1.00 0.64 H new ATOM 0 HD3 LYS A 63 -9.248 -15.582 -0.457 1.00 0.64 H new ATOM 0 HE2 LYS A 63 -8.448 -13.518 0.600 1.00 0.91 H new ATOM 0 HE3 LYS A 63 -10.071 -13.116 1.127 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 -8.804 -14.097 2.917 1.00 1.54 H new ATOM 0 HZ2 LYS A 63 -10.086 -15.129 2.495 1.00 1.54 H new ATOM 0 HZ3 LYS A 63 -8.503 -15.493 1.998 1.00 1.54 H new ATOM 828 N TYR A 64 -10.017 -10.747 -3.911 1.00 0.16 N ATOM 829 CA TYR A 64 -11.015 -9.709 -4.004 1.00 0.16 C ATOM 830 C TYR A 64 -10.856 -8.778 -5.202 1.00 0.17 C ATOM 831 O TYR A 64 -11.572 -7.777 -5.298 1.00 0.17 O ATOM 832 CB TYR A 64 -11.059 -8.958 -2.689 1.00 0.15 C ATOM 833 CG TYR A 64 -11.492 -9.854 -1.559 1.00 0.17 C ATOM 834 CD1 TYR A 64 -12.770 -10.383 -1.548 1.00 0.19 C ATOM 835 CD2 TYR A 64 -10.633 -10.188 -0.524 1.00 0.19 C ATOM 836 CE1 TYR A 64 -13.191 -11.218 -0.546 1.00 0.23 C ATOM 837 CE2 TYR A 64 -11.047 -11.025 0.494 1.00 0.23 C ATOM 838 CZ TYR A 64 -12.329 -11.540 0.478 1.00 0.24 C ATOM 839 OH TYR A 64 -12.740 -12.391 1.478 1.00 0.31 O ATOM 0 H TYR A 64 -9.050 -10.434 -3.993 1.00 0.16 H new ATOM 0 HA TYR A 64 -11.974 -10.193 -4.188 1.00 0.16 H new ATOM 0 HB2 TYR A 64 -10.074 -8.545 -2.471 1.00 0.15 H new ATOM 0 HB3 TYR A 64 -11.746 -8.116 -2.772 1.00 0.15 H new ATOM 0 HD1 TYR A 64 -13.452 -10.132 -2.347 1.00 0.19 H new ATOM 0 HD2 TYR A 64 -9.629 -9.790 -0.513 1.00 0.19 H new ATOM 0 HE1 TYR A 64 -14.193 -11.621 -0.560 1.00 0.23 H new ATOM 0 HE2 TYR A 64 -10.372 -11.276 1.299 1.00 0.23 H new ATOM 0 HH TYR A 64 -11.962 -12.692 1.992 1.00 0.31 H new ATOM 849 N LYS A 65 -9.969 -9.125 -6.137 1.00 0.20 N ATOM 850 CA LYS A 65 -9.901 -8.427 -7.421 1.00 0.23 C ATOM 851 C LYS A 65 -11.285 -8.472 -8.008 1.00 0.20 C ATOM 852 O LYS A 65 -11.798 -7.503 -8.576 1.00 0.22 O ATOM 853 CB LYS A 65 -8.958 -9.122 -8.416 1.00 0.34 C ATOM 854 CG LYS A 65 -7.586 -9.487 -7.895 1.00 0.29 C ATOM 855 CD LYS A 65 -6.555 -9.519 -9.015 1.00 0.38 C ATOM 856 CE LYS A 65 -6.964 -10.448 -10.152 1.00 0.80 C ATOM 857 NZ LYS A 65 -6.018 -10.378 -11.299 1.00 1.35 N ATOM 0 H LYS A 65 -9.292 -9.880 -6.030 1.00 0.20 H new ATOM 0 HA LYS A 65 -9.529 -7.416 -7.252 1.00 0.23 H new ATOM 0 HB2 LYS A 65 -9.443 -10.032 -8.769 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -8.833 -8.471 -9.281 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -7.280 -8.766 -7.137 1.00 0.29 H new ATOM 0 HG3 LYS A 65 -7.627 -10.462 -7.409 1.00 0.29 H new ATOM 0 HD2 LYS A 65 -6.414 -8.511 -9.405 1.00 0.38 H new ATOM 0 HD3 LYS A 65 -5.595 -9.842 -8.613 1.00 0.38 H new ATOM 0 HE2 LYS A 65 -7.011 -11.473 -9.783 1.00 0.80 H new ATOM 0 HE3 LYS A 65 -7.966 -10.185 -10.492 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 -6.334 -11.025 -12.049 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 -5.992 -9.406 -11.668 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 -5.067 -10.654 -10.982 1.00 1.35 H new ATOM 871 N SER A 66 -11.876 -9.629 -7.776 1.00 0.23 N ATOM 872 CA SER A 66 -13.188 -9.994 -8.255 1.00 0.26 C ATOM 873 C SER A 66 -14.241 -8.915 -7.989 1.00 0.25 C ATOM 874 O SER A 66 -15.069 -8.628 -8.856 1.00 0.31 O ATOM 875 CB SER A 66 -13.558 -11.307 -7.575 1.00 0.32 C ATOM 876 OG SER A 66 -12.672 -11.573 -6.496 1.00 1.28 O ATOM 0 H SER A 66 -11.435 -10.366 -7.227 1.00 0.23 H new ATOM 0 HA SER A 66 -13.163 -10.104 -9.339 1.00 0.26 H new ATOM 0 HB2 SER A 66 -14.583 -11.258 -7.208 1.00 0.32 H new ATOM 0 HB3 SER A 66 -13.517 -12.122 -8.297 1.00 0.32 H new ATOM 0 HG SER A 66 -12.923 -12.418 -6.068 1.00 1.28 H new ATOM 882 N GLN A 67 -14.218 -8.315 -6.805 1.00 0.21 N ATOM 883 CA GLN A 67 -15.159 -7.244 -6.495 1.00 0.20 C ATOM 884 C GLN A 67 -14.654 -5.885 -6.987 1.00 0.20 C ATOM 885 O GLN A 67 -15.434 -5.064 -7.466 1.00 0.27 O ATOM 886 CB GLN A 67 -15.445 -7.212 -4.995 1.00 0.21 C ATOM 887 CG GLN A 67 -16.304 -8.380 -4.539 1.00 0.38 C ATOM 888 CD GLN A 67 -16.470 -8.442 -3.039 1.00 0.52 C ATOM 889 OE1 GLN A 67 -17.384 -7.838 -2.478 1.00 1.11 O ATOM 890 NE2 GLN A 67 -15.604 -9.192 -2.383 1.00 0.46 N ATOM 0 H GLN A 67 -13.569 -8.547 -6.053 1.00 0.21 H new ATOM 0 HA GLN A 67 -16.089 -7.450 -7.024 1.00 0.20 H new ATOM 0 HB2 GLN A 67 -14.502 -7.224 -4.449 1.00 0.21 H new ATOM 0 HB3 GLN A 67 -15.946 -6.277 -4.744 1.00 0.21 H new ATOM 0 HG2 GLN A 67 -17.287 -8.304 -5.005 1.00 0.38 H new ATOM 0 HG3 GLN A 67 -15.857 -9.311 -4.888 1.00 0.38 H new ATOM 0 HE21 GLN A 67 -14.862 -9.675 -2.889 1.00 0.46 H new ATOM 0 HE22 GLN A 67 -15.677 -9.288 -1.370 1.00 0.46 H new ATOM 899 N GLY A 68 -13.348 -5.672 -6.903 1.00 0.17 N ATOM 900 CA GLY A 68 -12.758 -4.402 -7.267 1.00 0.18 C ATOM 901 C GLY A 68 -11.545 -4.107 -6.411 1.00 0.15 C ATOM 902 O GLY A 68 -10.821 -3.131 -6.641 1.00 0.17 O ATOM 0 H GLY A 68 -12.677 -6.371 -6.583 1.00 0.17 H new ATOM 0 HA2 GLY A 68 -12.471 -4.417 -8.319 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -13.494 -3.607 -7.149 1.00 0.18 H new ATOM 906 N PHE A 69 -11.323 -4.981 -5.431 1.00 0.14 N ATOM 907 CA PHE A 69 -10.239 -4.828 -4.474 1.00 0.13 C ATOM 908 C PHE A 69 -8.893 -4.979 -5.151 1.00 0.14 C ATOM 909 O PHE A 69 -8.715 -5.836 -6.015 1.00 0.18 O ATOM 910 CB PHE A 69 -10.359 -5.870 -3.354 1.00 0.14 C ATOM 911 CG PHE A 69 -9.314 -5.728 -2.294 1.00 0.12 C ATOM 912 CD1 PHE A 69 -8.965 -4.494 -1.761 1.00 0.14 C ATOM 913 CD2 PHE A 69 -8.687 -6.848 -1.831 1.00 0.14 C ATOM 914 CE1 PHE A 69 -7.991 -4.405 -0.782 1.00 0.16 C ATOM 915 CE2 PHE A 69 -7.733 -6.777 -0.872 1.00 0.16 C ATOM 916 CZ PHE A 69 -7.396 -5.379 -0.336 1.00 0.14 C ATOM 0 H PHE A 69 -11.892 -5.814 -5.282 1.00 0.14 H new ATOM 0 HA PHE A 69 -10.313 -3.827 -4.049 1.00 0.13 H new ATOM 0 HB2 PHE A 69 -11.344 -5.787 -2.895 1.00 0.14 H new ATOM 0 HB3 PHE A 69 -10.292 -6.868 -3.788 1.00 0.14 H new ATOM 0 HD1 PHE A 69 -9.456 -3.599 -2.112 1.00 0.14 H new ATOM 0 HD2 PHE A 69 -8.957 -7.811 -2.238 1.00 0.14 H new ATOM 0 HE1 PHE A 69 -7.743 -3.429 -0.392 1.00 0.16 H new ATOM 0 HE2 PHE A 69 -7.234 -7.661 -0.503 1.00 0.16 H new ATOM 0 HZ PHE A 69 -6.642 -5.255 0.427 1.00 0.14 H new ATOM 926 N THR A 70 -7.946 -4.143 -4.767 1.00 0.13 N ATOM 927 CA THR A 70 -6.613 -4.290 -5.216 1.00 0.12 C ATOM 928 C THR A 70 -5.697 -4.176 -4.040 1.00 0.12 C ATOM 929 O THR A 70 -6.010 -3.513 -3.070 1.00 0.19 O ATOM 930 CB THR A 70 -6.235 -3.213 -6.232 1.00 0.15 C ATOM 931 OG1 THR A 70 -5.173 -3.663 -7.066 1.00 0.20 O ATOM 932 CG2 THR A 70 -5.803 -1.934 -5.544 1.00 0.19 C ATOM 0 H THR A 70 -8.098 -3.354 -4.139 1.00 0.13 H new ATOM 0 HA THR A 70 -6.522 -5.263 -5.699 1.00 0.12 H new ATOM 0 HB THR A 70 -7.121 -3.013 -6.834 1.00 0.15 H new ATOM 0 HG1 THR A 70 -5.405 -4.534 -7.450 1.00 0.20 H new ATOM 0 HG21 THR A 70 -5.541 -1.188 -6.294 1.00 0.19 H new ATOM 0 HG22 THR A 70 -6.620 -1.558 -4.929 1.00 0.19 H new ATOM 0 HG23 THR A 70 -4.937 -2.135 -4.914 1.00 0.19 H new ATOM 940 N VAL A 71 -4.603 -4.846 -4.109 1.00 0.13 N ATOM 941 CA VAL A 71 -3.494 -4.506 -3.290 1.00 0.13 C ATOM 942 C VAL A 71 -2.497 -3.765 -4.139 1.00 0.13 C ATOM 943 O VAL A 71 -1.787 -4.358 -4.933 1.00 0.15 O ATOM 944 CB VAL A 71 -2.874 -5.756 -2.677 1.00 0.15 C ATOM 945 CG1 VAL A 71 -1.495 -5.458 -2.115 1.00 0.16 C ATOM 946 CG2 VAL A 71 -3.784 -6.291 -1.592 1.00 0.17 C ATOM 0 H VAL A 71 -4.451 -5.641 -4.730 1.00 0.13 H new ATOM 0 HA VAL A 71 -3.816 -3.872 -2.464 1.00 0.13 H new ATOM 0 HB VAL A 71 -2.760 -6.510 -3.456 1.00 0.15 H new ATOM 0 HG11 VAL A 71 -1.074 -6.366 -1.683 1.00 0.16 H new ATOM 0 HG12 VAL A 71 -0.846 -5.101 -2.914 1.00 0.16 H new ATOM 0 HG13 VAL A 71 -1.574 -4.692 -1.343 1.00 0.16 H new ATOM 0 HG21 VAL A 71 -3.341 -7.185 -1.153 1.00 0.17 H new ATOM 0 HG22 VAL A 71 -3.913 -5.533 -0.819 1.00 0.17 H new ATOM 0 HG23 VAL A 71 -4.754 -6.540 -2.021 1.00 0.17 H new ATOM 956 N LEU A 72 -2.474 -2.461 -4.011 1.00 0.17 N ATOM 957 CA LEU A 72 -1.520 -1.680 -4.770 1.00 0.22 C ATOM 958 C LEU A 72 -0.218 -1.658 -4.010 1.00 0.19 C ATOM 959 O LEU A 72 -0.169 -1.180 -2.896 1.00 0.28 O ATOM 960 CB LEU A 72 -1.985 -0.238 -4.982 1.00 0.43 C ATOM 961 CG LEU A 72 -3.200 -0.013 -5.869 1.00 0.34 C ATOM 962 CD1 LEU A 72 -3.473 1.469 -6.014 1.00 1.04 C ATOM 963 CD2 LEU A 72 -2.988 -0.632 -7.224 1.00 1.00 C ATOM 0 H LEU A 72 -3.091 -1.923 -3.402 1.00 0.17 H new ATOM 0 HA LEU A 72 -1.410 -2.141 -5.752 1.00 0.22 H new ATOM 0 HB2 LEU A 72 -2.199 0.193 -4.004 1.00 0.43 H new ATOM 0 HB3 LEU A 72 -1.152 0.325 -5.404 1.00 0.43 H new ATOM 0 HG LEU A 72 -4.061 -0.489 -5.400 1.00 0.34 H new ATOM 0 HD11 LEU A 72 -4.345 1.618 -6.651 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -3.663 1.902 -5.032 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -2.608 1.956 -6.464 1.00 1.04 H new ATOM 0 HD21 LEU A 72 -3.868 -0.461 -7.844 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -2.116 -0.180 -7.698 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -2.826 -1.704 -7.113 1.00 1.00 H new ATOM 975 N ALA A 73 0.830 -2.160 -4.607 1.00 0.22 N ATOM 976 CA ALA A 73 2.109 -2.212 -3.926 1.00 0.30 C ATOM 977 C ALA A 73 3.029 -1.079 -4.370 1.00 0.23 C ATOM 978 O ALA A 73 3.484 -1.038 -5.500 1.00 0.32 O ATOM 979 CB ALA A 73 2.759 -3.555 -4.158 1.00 0.51 C ATOM 0 H ALA A 73 0.831 -2.537 -5.555 1.00 0.22 H new ATOM 0 HA ALA A 73 1.932 -2.083 -2.858 1.00 0.30 H new ATOM 0 HB1 ALA A 73 3.720 -3.588 -3.644 1.00 0.51 H new ATOM 0 HB2 ALA A 73 2.113 -4.343 -3.771 1.00 0.51 H new ATOM 0 HB3 ALA A 73 2.914 -3.704 -5.227 1.00 0.51 H new ATOM 985 N PHE A 74 3.297 -0.165 -3.462 1.00 0.29 N ATOM 986 CA PHE A 74 4.215 0.936 -3.699 1.00 0.33 C ATOM 987 C PHE A 74 5.542 0.649 -2.991 1.00 0.35 C ATOM 988 O PHE A 74 5.680 0.931 -1.802 1.00 0.37 O ATOM 989 CB PHE A 74 3.600 2.244 -3.169 1.00 0.44 C ATOM 990 CG PHE A 74 2.517 2.855 -4.038 1.00 0.36 C ATOM 991 CD1 PHE A 74 1.604 2.076 -4.750 1.00 0.43 C ATOM 992 CD2 PHE A 74 2.426 4.230 -4.138 1.00 0.41 C ATOM 993 CE1 PHE A 74 0.636 2.666 -5.545 1.00 0.41 C ATOM 994 CE2 PHE A 74 1.450 4.832 -4.936 1.00 0.43 C ATOM 995 CZ PHE A 74 0.554 4.039 -5.642 1.00 0.35 C ATOM 0 H PHE A 74 2.882 -0.162 -2.530 1.00 0.29 H new ATOM 0 HA PHE A 74 4.397 1.041 -4.769 1.00 0.33 H new ATOM 0 HB2 PHE A 74 3.184 2.055 -2.179 1.00 0.44 H new ATOM 0 HB3 PHE A 74 4.398 2.976 -3.045 1.00 0.44 H new ATOM 0 HD1 PHE A 74 1.653 0.999 -4.680 1.00 0.43 H new ATOM 0 HD2 PHE A 74 3.121 4.850 -3.590 1.00 0.41 H new ATOM 0 HE1 PHE A 74 -0.059 2.047 -6.093 1.00 0.41 H new ATOM 0 HE2 PHE A 74 1.392 5.908 -5.004 1.00 0.43 H new ATOM 0 HZ PHE A 74 -0.202 4.495 -6.263 1.00 0.35 H new ATOM 1005 N PRO A 75 6.542 0.079 -3.694 1.00 0.37 N ATOM 1006 CA PRO A 75 7.749 -0.430 -3.056 1.00 0.46 C ATOM 1007 C PRO A 75 8.803 0.636 -2.795 1.00 0.61 C ATOM 1008 O PRO A 75 9.618 0.922 -3.656 1.00 1.30 O ATOM 1009 CB PRO A 75 8.261 -1.464 -4.050 1.00 0.54 C ATOM 1010 CG PRO A 75 7.812 -0.977 -5.383 1.00 0.44 C ATOM 1011 CD PRO A 75 6.597 -0.091 -5.159 1.00 0.38 C ATOM 0 HA PRO A 75 7.533 -0.830 -2.065 1.00 0.46 H new ATOM 0 HB2 PRO A 75 9.347 -1.549 -4.007 1.00 0.54 H new ATOM 0 HB3 PRO A 75 7.855 -2.453 -3.834 1.00 0.54 H new ATOM 0 HG2 PRO A 75 8.608 -0.419 -5.876 1.00 0.44 H new ATOM 0 HG3 PRO A 75 7.561 -1.815 -6.033 1.00 0.44 H new ATOM 0 HD2 PRO A 75 6.703 0.867 -5.668 1.00 0.38 H new ATOM 0 HD3 PRO A 75 5.688 -0.556 -5.541 1.00 0.38 H new ATOM 1019 N SER A 76 8.798 1.168 -1.577 1.00 0.41 N ATOM 1020 CA SER A 76 9.699 2.255 -1.179 1.00 0.37 C ATOM 1021 C SER A 76 11.086 2.098 -1.751 1.00 0.50 C ATOM 1022 O SER A 76 11.699 1.029 -1.689 1.00 0.74 O ATOM 1023 CB SER A 76 9.809 2.322 0.349 1.00 0.53 C ATOM 1024 OG SER A 76 10.675 3.368 0.763 1.00 1.44 O ATOM 0 H SER A 76 8.170 0.861 -0.834 1.00 0.41 H new ATOM 0 HA SER A 76 9.267 3.174 -1.576 1.00 0.37 H new ATOM 0 HB2 SER A 76 8.820 2.476 0.780 1.00 0.53 H new ATOM 0 HB3 SER A 76 10.178 1.370 0.730 1.00 0.53 H new ATOM 0 HG SER A 76 10.165 4.201 0.846 1.00 1.44 H new ATOM 1030 N ASN A 77 11.575 3.186 -2.295 1.00 0.52 N ATOM 1031 CA ASN A 77 12.897 3.223 -2.815 1.00 0.72 C ATOM 1032 C ASN A 77 13.852 3.283 -1.649 1.00 0.70 C ATOM 1033 O ASN A 77 13.958 4.286 -0.945 1.00 0.75 O ATOM 1034 CB ASN A 77 13.091 4.401 -3.785 1.00 0.93 C ATOM 1035 CG ASN A 77 12.804 5.756 -3.159 1.00 0.96 C ATOM 1036 OD1 ASN A 77 11.974 5.877 -2.263 1.00 1.81 O ATOM 1037 ND2 ASN A 77 13.480 6.789 -3.640 1.00 1.46 N ATOM 0 H ASN A 77 11.060 4.062 -2.384 1.00 0.52 H new ATOM 0 HA ASN A 77 13.094 2.325 -3.401 1.00 0.72 H new ATOM 0 HB2 ASN A 77 14.116 4.391 -4.156 1.00 0.93 H new ATOM 0 HB3 ASN A 77 12.439 4.263 -4.647 1.00 0.93 H new ATOM 0 HD21 ASN A 77 13.318 7.724 -3.265 1.00 1.46 H new ATOM 0 HD22 ASN A 77 14.162 6.650 -4.385 1.00 1.46 H new ATOM 1044 N GLN A 78 14.492 2.157 -1.425 1.00 0.85 N ATOM 1045 CA GLN A 78 15.556 1.999 -0.442 1.00 0.98 C ATOM 1046 C GLN A 78 16.622 3.100 -0.562 1.00 0.98 C ATOM 1047 O GLN A 78 17.497 3.237 0.290 1.00 1.12 O ATOM 1048 CB GLN A 78 16.183 0.630 -0.646 1.00 1.35 C ATOM 1049 CG GLN A 78 16.721 0.446 -2.053 1.00 2.07 C ATOM 1050 CD GLN A 78 15.895 -0.521 -2.883 1.00 2.74 C ATOM 1051 OE1 GLN A 78 15.249 -1.425 -2.356 1.00 3.34 O ATOM 1052 NE2 GLN A 78 15.921 -0.346 -4.194 1.00 3.30 N ATOM 0 H GLN A 78 14.285 1.297 -1.933 1.00 0.85 H new ATOM 0 HA GLN A 78 15.132 2.085 0.558 1.00 0.98 H new ATOM 0 HB2 GLN A 78 16.993 0.493 0.071 1.00 1.35 H new ATOM 0 HB3 GLN A 78 15.441 -0.141 -0.440 1.00 1.35 H new ATOM 0 HG2 GLN A 78 16.750 1.413 -2.554 1.00 2.07 H new ATOM 0 HG3 GLN A 78 17.748 0.084 -1.999 1.00 2.07 H new ATOM 0 HE21 GLN A 78 16.468 0.415 -4.596 1.00 3.30 H new ATOM 0 HE22 GLN A 78 15.394 -0.972 -4.803 1.00 3.30 H new ATOM 1061 N PHE A 79 16.522 3.872 -1.630 1.00 0.98 N ATOM 1062 CA PHE A 79 17.586 4.763 -2.089 1.00 1.19 C ATOM 1063 C PHE A 79 17.733 6.053 -1.268 1.00 1.20 C ATOM 1064 O PHE A 79 18.101 7.091 -1.820 1.00 1.54 O ATOM 1065 CB PHE A 79 17.324 5.135 -3.545 1.00 1.32 C ATOM 1066 CG PHE A 79 17.468 3.990 -4.504 1.00 1.57 C ATOM 1067 CD1 PHE A 79 18.716 3.464 -4.789 1.00 1.82 C ATOM 1068 CD2 PHE A 79 16.354 3.434 -5.113 1.00 2.02 C ATOM 1069 CE1 PHE A 79 18.852 2.404 -5.663 1.00 2.25 C ATOM 1070 CE2 PHE A 79 16.484 2.375 -5.990 1.00 2.64 C ATOM 1071 CZ PHE A 79 17.732 1.881 -6.292 1.00 2.68 C ATOM 0 H PHE A 79 15.687 3.902 -2.216 1.00 0.98 H new ATOM 0 HA PHE A 79 18.519 4.213 -1.966 1.00 1.19 H new ATOM 0 HB2 PHE A 79 16.316 5.541 -3.630 1.00 1.32 H new ATOM 0 HB3 PHE A 79 18.013 5.928 -3.836 1.00 1.32 H new ATOM 0 HD1 PHE A 79 19.593 3.887 -4.323 1.00 1.82 H new ATOM 0 HD2 PHE A 79 15.374 3.833 -4.899 1.00 2.02 H new ATOM 0 HE1 PHE A 79 19.828 1.983 -5.856 1.00 2.25 H new ATOM 0 HE2 PHE A 79 15.606 1.935 -6.439 1.00 2.64 H new ATOM 0 HZ PHE A 79 17.839 1.088 -7.017 1.00 2.68 H new ATOM 1081 N GLY A 80 17.446 6.016 0.025 1.00 1.10 N ATOM 1082 CA GLY A 80 17.560 7.229 0.817 1.00 1.22 C ATOM 1083 C GLY A 80 18.253 7.027 2.152 1.00 1.24 C ATOM 1084 O GLY A 80 19.432 7.347 2.312 1.00 1.98 O ATOM 0 H GLY A 80 17.142 5.186 0.535 1.00 1.10 H new ATOM 0 HA2 GLY A 80 18.108 7.976 0.243 1.00 1.22 H new ATOM 0 HA3 GLY A 80 16.563 7.632 0.993 1.00 1.22 H new ATOM 1088 N GLY A 81 17.520 6.474 3.098 1.00 1.18 N ATOM 1089 CA GLY A 81 17.978 6.387 4.466 1.00 1.21 C ATOM 1090 C GLY A 81 16.841 6.594 5.441 1.00 1.14 C ATOM 1091 O GLY A 81 17.057 6.843 6.627 1.00 1.49 O ATOM 0 H GLY A 81 16.595 6.075 2.939 1.00 1.18 H new ATOM 0 HA2 GLY A 81 18.434 5.412 4.638 1.00 1.21 H new ATOM 0 HA3 GLY A 81 18.751 7.135 4.641 1.00 1.21 H new ATOM 1095 N GLN A 82 15.625 6.478 4.933 1.00 0.86 N ATOM 1096 CA GLN A 82 14.431 6.783 5.702 1.00 0.82 C ATOM 1097 C GLN A 82 13.349 5.758 5.415 1.00 0.77 C ATOM 1098 O GLN A 82 12.188 5.949 5.781 1.00 0.91 O ATOM 1099 CB GLN A 82 13.912 8.189 5.353 1.00 0.80 C ATOM 1100 CG GLN A 82 13.418 8.338 3.912 1.00 0.75 C ATOM 1101 CD GLN A 82 14.511 8.184 2.881 1.00 1.09 C ATOM 1102 OE1 GLN A 82 15.635 8.641 3.074 1.00 1.74 O ATOM 1103 NE2 GLN A 82 14.195 7.486 1.806 1.00 1.14 N ATOM 0 H GLN A 82 15.439 6.171 3.978 1.00 0.86 H new ATOM 0 HA GLN A 82 14.687 6.751 6.761 1.00 0.82 H new ATOM 0 HB2 GLN A 82 13.098 8.442 6.032 1.00 0.80 H new ATOM 0 HB3 GLN A 82 14.709 8.912 5.528 1.00 0.80 H new ATOM 0 HG2 GLN A 82 12.644 7.594 3.723 1.00 0.75 H new ATOM 0 HG3 GLN A 82 12.954 9.317 3.795 1.00 0.75 H new ATOM 0 HE21 GLN A 82 13.247 7.127 1.691 1.00 1.14 H new ATOM 0 HE22 GLN A 82 14.899 7.305 1.090 1.00 1.14 H new ATOM 1112 N GLU A 83 13.751 4.672 4.773 1.00 0.75 N ATOM 1113 CA GLU A 83 12.821 3.662 4.295 1.00 0.74 C ATOM 1114 C GLU A 83 12.093 3.011 5.469 1.00 0.72 C ATOM 1115 O GLU A 83 12.613 2.949 6.586 1.00 0.88 O ATOM 1116 CB GLU A 83 13.538 2.582 3.461 1.00 0.87 C ATOM 1117 CG GLU A 83 14.364 3.095 2.283 1.00 1.16 C ATOM 1118 CD GLU A 83 15.535 3.949 2.690 1.00 2.33 C ATOM 1119 OE1 GLU A 83 16.547 3.412 3.181 1.00 3.07 O ATOM 1120 OE2 GLU A 83 15.443 5.171 2.520 1.00 2.83 O ATOM 0 H GLU A 83 14.729 4.467 4.569 1.00 0.75 H new ATOM 0 HA GLU A 83 12.096 4.161 3.652 1.00 0.74 H new ATOM 0 HB2 GLU A 83 14.194 2.015 4.121 1.00 0.87 H new ATOM 0 HB3 GLU A 83 12.790 1.886 3.081 1.00 0.87 H new ATOM 0 HG2 GLU A 83 14.729 2.243 1.709 1.00 1.16 H new ATOM 0 HG3 GLU A 83 13.718 3.672 1.622 1.00 1.16 H new ATOM 1127 N PRO A 84 10.876 2.522 5.221 1.00 0.63 N ATOM 1128 CA PRO A 84 10.017 1.957 6.250 1.00 0.75 C ATOM 1129 C PRO A 84 10.327 0.477 6.526 1.00 1.00 C ATOM 1130 O PRO A 84 10.416 -0.344 5.607 1.00 1.75 O ATOM 1131 CB PRO A 84 8.641 2.138 5.616 1.00 1.02 C ATOM 1132 CG PRO A 84 8.855 1.941 4.167 1.00 0.72 C ATOM 1133 CD PRO A 84 10.238 2.460 3.888 1.00 0.61 C ATOM 0 HA PRO A 84 10.130 2.429 7.226 1.00 0.75 H new ATOM 0 HB2 PRO A 84 7.927 1.415 6.011 1.00 1.02 H new ATOM 0 HB3 PRO A 84 8.239 3.130 5.824 1.00 1.02 H new ATOM 0 HG2 PRO A 84 8.770 0.888 3.898 1.00 0.72 H new ATOM 0 HG3 PRO A 84 8.109 2.481 3.584 1.00 0.72 H new ATOM 0 HD2 PRO A 84 10.784 1.798 3.215 1.00 0.61 H new ATOM 0 HD3 PRO A 84 10.208 3.441 3.415 1.00 0.61 H new ATOM 1141 N GLY A 85 10.529 0.146 7.795 1.00 1.45 N ATOM 1142 CA GLY A 85 10.666 -1.243 8.187 1.00 1.82 C ATOM 1143 C GLY A 85 12.101 -1.691 8.339 1.00 1.61 C ATOM 1144 O GLY A 85 12.518 -2.088 9.425 1.00 2.20 O ATOM 0 H GLY A 85 10.600 0.816 8.561 1.00 1.45 H new ATOM 0 HA2 GLY A 85 10.144 -1.398 9.131 1.00 1.82 H new ATOM 0 HA3 GLY A 85 10.175 -1.871 7.444 1.00 1.82 H new ATOM 1148 N ASN A 86 12.851 -1.647 7.253 1.00 1.49 N ATOM 1149 CA ASN A 86 14.237 -2.097 7.265 1.00 2.04 C ATOM 1150 C ASN A 86 15.112 -1.083 6.561 1.00 1.94 C ATOM 1151 O ASN A 86 15.172 -1.045 5.330 1.00 2.70 O ATOM 1152 CB ASN A 86 14.380 -3.463 6.586 1.00 2.78 C ATOM 1153 CG ASN A 86 13.673 -4.574 7.339 1.00 3.58 C ATOM 1154 OD1 ASN A 86 12.489 -4.837 7.113 1.00 4.07 O ATOM 1155 ND2 ASN A 86 14.391 -5.245 8.220 1.00 4.20 N ATOM 0 H ASN A 86 12.526 -1.304 6.349 1.00 1.49 H new ATOM 0 HA ASN A 86 14.554 -2.196 8.303 1.00 2.04 H new ATOM 0 HB2 ASN A 86 13.978 -3.404 5.574 1.00 2.78 H new ATOM 0 HB3 ASN A 86 15.438 -3.709 6.495 1.00 2.78 H new ATOM 0 HD21 ASN A 86 13.969 -6.012 8.743 1.00 4.20 H new ATOM 0 HD22 ASN A 86 15.368 -4.996 8.378 1.00 4.20 H new ATOM 1162 N GLU A 87 15.809 -0.280 7.343 1.00 1.52 N ATOM 1163 CA GLU A 87 16.547 0.854 6.812 1.00 1.46 C ATOM 1164 C GLU A 87 17.949 0.446 6.358 1.00 1.60 C ATOM 1165 O GLU A 87 18.884 1.241 6.438 1.00 2.15 O ATOM 1166 CB GLU A 87 16.654 1.974 7.859 1.00 1.61 C ATOM 1167 CG GLU A 87 15.357 2.287 8.600 1.00 2.19 C ATOM 1168 CD GLU A 87 15.064 1.303 9.719 1.00 2.58 C ATOM 1169 OE1 GLU A 87 16.008 0.879 10.416 1.00 3.02 O ATOM 1170 OE2 GLU A 87 13.882 0.945 9.907 1.00 2.84 O ATOM 0 H GLU A 87 15.880 -0.392 8.354 1.00 1.52 H new ATOM 0 HA GLU A 87 15.995 1.221 5.947 1.00 1.46 H new ATOM 0 HB2 GLU A 87 17.415 1.698 8.589 1.00 1.61 H new ATOM 0 HB3 GLU A 87 17.001 2.881 7.365 1.00 1.61 H new ATOM 0 HG2 GLU A 87 15.415 3.294 9.014 1.00 2.19 H new ATOM 0 HG3 GLU A 87 14.529 2.281 7.891 1.00 2.19 H new ATOM 1177 N GLU A 88 18.098 -0.789 5.874 1.00 1.57 N ATOM 1178 CA GLU A 88 19.395 -1.250 5.383 1.00 1.77 C ATOM 1179 C GLU A 88 19.281 -2.554 4.587 1.00 1.62 C ATOM 1180 O GLU A 88 20.030 -2.766 3.637 1.00 1.62 O ATOM 1181 CB GLU A 88 20.375 -1.433 6.544 1.00 2.18 C ATOM 1182 CG GLU A 88 21.809 -1.648 6.094 1.00 2.68 C ATOM 1183 CD GLU A 88 22.371 -0.454 5.351 1.00 3.33 C ATOM 1184 OE1 GLU A 88 22.230 -0.399 4.112 1.00 3.92 O ATOM 1185 OE2 GLU A 88 22.955 0.433 5.999 1.00 3.66 O ATOM 0 H GLU A 88 17.348 -1.478 5.812 1.00 1.57 H new ATOM 0 HA GLU A 88 19.772 -0.481 4.708 1.00 1.77 H new ATOM 0 HB2 GLU A 88 20.332 -0.555 7.188 1.00 2.18 H new ATOM 0 HB3 GLU A 88 20.059 -2.285 7.146 1.00 2.18 H new ATOM 0 HG2 GLU A 88 22.432 -1.856 6.964 1.00 2.68 H new ATOM 0 HG3 GLU A 88 21.856 -2.527 5.451 1.00 2.68 H new ATOM 1192 N GLU A 89 18.331 -3.410 4.957 1.00 1.62 N ATOM 1193 CA GLU A 89 18.209 -4.745 4.354 1.00 1.59 C ATOM 1194 C GLU A 89 18.066 -4.690 2.828 1.00 1.49 C ATOM 1195 O GLU A 89 18.507 -5.592 2.127 1.00 1.59 O ATOM 1196 CB GLU A 89 17.018 -5.488 4.966 1.00 1.70 C ATOM 1197 CG GLU A 89 16.930 -6.950 4.557 1.00 1.75 C ATOM 1198 CD GLU A 89 15.811 -7.684 5.265 1.00 2.11 C ATOM 1199 OE1 GLU A 89 16.031 -8.156 6.399 1.00 2.45 O ATOM 1200 OE2 GLU A 89 14.711 -7.786 4.690 1.00 2.65 O ATOM 0 H GLU A 89 17.632 -3.207 5.671 1.00 1.62 H new ATOM 0 HA GLU A 89 19.132 -5.283 4.571 1.00 1.59 H new ATOM 0 HB2 GLU A 89 17.084 -5.428 6.052 1.00 1.70 H new ATOM 0 HB3 GLU A 89 16.097 -4.983 4.674 1.00 1.70 H new ATOM 0 HG2 GLU A 89 16.777 -7.014 3.480 1.00 1.75 H new ATOM 0 HG3 GLU A 89 17.878 -7.442 4.774 1.00 1.75 H new ATOM 1207 N ILE A 90 17.472 -3.623 2.322 1.00 1.43 N ATOM 1208 CA ILE A 90 17.249 -3.467 0.883 1.00 1.39 C ATOM 1209 C ILE A 90 18.305 -2.576 0.245 1.00 1.49 C ATOM 1210 O ILE A 90 18.248 -2.272 -0.947 1.00 1.57 O ATOM 1211 CB ILE A 90 15.859 -2.878 0.619 1.00 1.45 C ATOM 1212 CG1 ILE A 90 15.558 -1.764 1.626 1.00 1.74 C ATOM 1213 CG2 ILE A 90 14.816 -3.975 0.680 1.00 1.76 C ATOM 1214 CD1 ILE A 90 14.134 -1.246 1.568 1.00 2.15 C ATOM 0 H ILE A 90 17.131 -2.844 2.885 1.00 1.43 H new ATOM 0 HA ILE A 90 17.319 -4.458 0.434 1.00 1.39 H new ATOM 0 HB ILE A 90 15.834 -2.441 -0.379 1.00 1.45 H new ATOM 0 HG12 ILE A 90 15.758 -2.134 2.632 1.00 1.74 H new ATOM 0 HG13 ILE A 90 16.243 -0.934 1.449 1.00 1.74 H new ATOM 0 HG21 ILE A 90 13.830 -3.550 0.492 1.00 1.76 H new ATOM 0 HG22 ILE A 90 15.037 -4.729 -0.075 1.00 1.76 H new ATOM 0 HG23 ILE A 90 14.830 -4.436 1.668 1.00 1.76 H new ATOM 0 HD11 ILE A 90 14.002 -0.460 2.312 1.00 2.15 H new ATOM 0 HD12 ILE A 90 13.933 -0.844 0.575 1.00 2.15 H new ATOM 0 HD13 ILE A 90 13.441 -2.062 1.776 1.00 2.15 H new ATOM 1226 N LYS A 91 19.276 -2.171 1.043 1.00 1.71 N ATOM 1227 CA LYS A 91 20.294 -1.233 0.599 1.00 1.89 C ATOM 1228 C LYS A 91 21.655 -1.910 0.570 1.00 1.98 C ATOM 1229 O LYS A 91 22.366 -1.859 -0.434 1.00 2.17 O ATOM 1230 CB LYS A 91 20.310 -0.032 1.538 1.00 2.00 C ATOM 1231 CG LYS A 91 18.947 0.620 1.685 1.00 2.10 C ATOM 1232 CD LYS A 91 18.703 1.096 3.105 1.00 2.33 C ATOM 1233 CE LYS A 91 19.584 2.274 3.465 1.00 2.39 C ATOM 1234 NZ LYS A 91 19.215 3.482 2.687 1.00 2.79 N ATOM 0 H LYS A 91 19.382 -2.479 2.010 1.00 1.71 H new ATOM 0 HA LYS A 91 20.064 -0.894 -0.411 1.00 1.89 H new ATOM 0 HB2 LYS A 91 20.664 -0.349 2.519 1.00 2.00 H new ATOM 0 HB3 LYS A 91 21.022 0.705 1.165 1.00 2.00 H new ATOM 0 HG2 LYS A 91 18.872 1.465 1.000 1.00 2.10 H new ATOM 0 HG3 LYS A 91 18.171 -0.091 1.401 1.00 2.10 H new ATOM 0 HD2 LYS A 91 17.656 1.378 3.219 1.00 2.33 H new ATOM 0 HD3 LYS A 91 18.890 0.277 3.800 1.00 2.33 H new ATOM 0 HE2 LYS A 91 19.495 2.484 4.531 1.00 2.39 H new ATOM 0 HE3 LYS A 91 20.627 2.022 3.275 1.00 2.39 H new ATOM 0 HZ1 LYS A 91 19.676 4.317 3.103 1.00 2.79 H new ATOM 0 HZ2 LYS A 91 19.527 3.369 1.701 1.00 2.79 H new ATOM 0 HZ3 LYS A 91 18.183 3.608 2.711 1.00 2.79 H new ATOM 1248 N GLU A 92 22.007 -2.555 1.677 1.00 2.07 N ATOM 1249 CA GLU A 92 23.245 -3.318 1.762 1.00 2.27 C ATOM 1250 C GLU A 92 23.123 -4.601 0.958 1.00 2.10 C ATOM 1251 O GLU A 92 24.120 -5.184 0.532 1.00 2.26 O ATOM 1252 CB GLU A 92 23.565 -3.659 3.220 1.00 2.54 C ATOM 1253 CG GLU A 92 22.584 -4.647 3.833 1.00 2.47 C ATOM 1254 CD GLU A 92 22.962 -5.072 5.233 1.00 2.96 C ATOM 1255 OE1 GLU A 92 24.121 -5.478 5.443 1.00 3.29 O ATOM 1256 OE2 GLU A 92 22.089 -5.018 6.126 1.00 3.20 O ATOM 0 H GLU A 92 21.449 -2.564 2.531 1.00 2.07 H new ATOM 0 HA GLU A 92 24.052 -2.710 1.354 1.00 2.27 H new ATOM 0 HB2 GLU A 92 24.572 -4.073 3.277 1.00 2.54 H new ATOM 0 HB3 GLU A 92 23.564 -2.742 3.810 1.00 2.54 H new ATOM 0 HG2 GLU A 92 21.591 -4.198 3.852 1.00 2.47 H new ATOM 0 HG3 GLU A 92 22.522 -5.530 3.197 1.00 2.47 H new ATOM 1263 N PHE A 93 21.891 -5.028 0.748 1.00 1.86 N ATOM 1264 CA PHE A 93 21.630 -6.296 0.103 1.00 1.75 C ATOM 1265 C PHE A 93 20.868 -6.076 -1.193 1.00 1.59 C ATOM 1266 O PHE A 93 20.064 -5.150 -1.297 1.00 1.69 O ATOM 1267 CB PHE A 93 20.826 -7.185 1.050 1.00 1.73 C ATOM 1268 CG PHE A 93 20.762 -8.616 0.620 1.00 2.09 C ATOM 1269 CD1 PHE A 93 21.910 -9.384 0.593 1.00 2.34 C ATOM 1270 CD2 PHE A 93 19.561 -9.191 0.243 1.00 2.65 C ATOM 1271 CE1 PHE A 93 21.866 -10.705 0.196 1.00 2.87 C ATOM 1272 CE2 PHE A 93 19.508 -10.513 -0.155 1.00 3.40 C ATOM 1273 CZ PHE A 93 20.663 -11.272 -0.179 1.00 3.42 C ATOM 0 H PHE A 93 21.054 -4.511 1.017 1.00 1.86 H new ATOM 0 HA PHE A 93 22.574 -6.786 -0.134 1.00 1.75 H new ATOM 0 HB2 PHE A 93 21.267 -7.133 2.045 1.00 1.73 H new ATOM 0 HB3 PHE A 93 19.812 -6.793 1.130 1.00 1.73 H new ATOM 0 HD1 PHE A 93 22.853 -8.946 0.886 1.00 2.34 H new ATOM 0 HD2 PHE A 93 18.657 -8.601 0.260 1.00 2.65 H new ATOM 0 HE1 PHE A 93 22.771 -11.295 0.178 1.00 2.87 H new ATOM 0 HE2 PHE A 93 18.566 -10.953 -0.447 1.00 3.40 H new ATOM 0 HZ PHE A 93 20.625 -12.306 -0.490 1.00 3.42 H new ATOM 1283 N VAL A 94 21.145 -6.910 -2.185 1.00 1.62 N ATOM 1284 CA VAL A 94 20.425 -6.860 -3.445 1.00 1.68 C ATOM 1285 C VAL A 94 18.984 -7.276 -3.247 1.00 1.54 C ATOM 1286 O VAL A 94 18.696 -8.367 -2.759 1.00 1.74 O ATOM 1287 CB VAL A 94 21.071 -7.763 -4.519 1.00 2.11 C ATOM 1288 CG1 VAL A 94 20.153 -7.915 -5.725 1.00 2.63 C ATOM 1289 CG2 VAL A 94 22.419 -7.205 -4.943 1.00 2.56 C ATOM 0 H VAL A 94 21.866 -7.631 -2.139 1.00 1.62 H new ATOM 0 HA VAL A 94 20.469 -5.829 -3.795 1.00 1.68 H new ATOM 0 HB VAL A 94 21.226 -8.750 -4.084 1.00 2.11 H new ATOM 0 HG11 VAL A 94 20.630 -8.555 -6.467 1.00 2.63 H new ATOM 0 HG12 VAL A 94 19.211 -8.364 -5.411 1.00 2.63 H new ATOM 0 HG13 VAL A 94 19.960 -6.935 -6.161 1.00 2.63 H new ATOM 0 HG21 VAL A 94 22.860 -7.854 -5.700 1.00 2.56 H new ATOM 0 HG22 VAL A 94 22.285 -6.205 -5.355 1.00 2.56 H new ATOM 0 HG23 VAL A 94 23.081 -7.155 -4.078 1.00 2.56 H new ATOM 1299 N CYS A 95 18.086 -6.388 -3.609 1.00 1.47 N ATOM 1300 CA CYS A 95 16.677 -6.667 -3.514 1.00 1.46 C ATOM 1301 C CYS A 95 15.981 -6.298 -4.796 1.00 1.37 C ATOM 1302 O CYS A 95 16.166 -5.201 -5.331 1.00 1.52 O ATOM 1303 CB CYS A 95 16.065 -5.914 -2.338 1.00 1.77 C ATOM 1304 SG CYS A 95 16.801 -6.345 -0.746 1.00 2.83 S ATOM 0 H CYS A 95 18.311 -5.462 -3.973 1.00 1.47 H new ATOM 0 HA CYS A 95 16.545 -7.736 -3.346 1.00 1.46 H new ATOM 0 HB2 CYS A 95 16.179 -4.843 -2.504 1.00 1.77 H new ATOM 0 HB3 CYS A 95 14.995 -6.119 -2.302 1.00 1.77 H new ATOM 0 HG CYS A 95 18.010 -5.870 -0.684 1.00 2.83 H new ATOM 1310 N THR A 96 15.216 -7.246 -5.309 1.00 1.52 N ATOM 1311 CA THR A 96 14.337 -6.992 -6.424 1.00 1.59 C ATOM 1312 C THR A 96 13.468 -5.793 -6.101 1.00 1.08 C ATOM 1313 O THR A 96 13.135 -5.574 -4.938 1.00 1.31 O ATOM 1314 CB THR A 96 13.440 -8.213 -6.686 1.00 2.27 C ATOM 1315 OG1 THR A 96 12.798 -8.612 -5.465 1.00 2.76 O ATOM 1316 CG2 THR A 96 14.252 -9.374 -7.240 1.00 2.98 C ATOM 0 H THR A 96 15.190 -8.205 -4.963 1.00 1.52 H new ATOM 0 HA THR A 96 14.934 -6.796 -7.314 1.00 1.59 H new ATOM 0 HB THR A 96 12.687 -7.936 -7.424 1.00 2.27 H new ATOM 0 HG1 THR A 96 12.226 -9.389 -5.635 1.00 2.76 H new ATOM 0 HG21 THR A 96 13.595 -10.226 -7.417 1.00 2.98 H new ATOM 0 HG22 THR A 96 14.720 -9.076 -8.178 1.00 2.98 H new ATOM 0 HG23 THR A 96 15.023 -9.654 -6.522 1.00 2.98 H new ATOM 1324 N LYS A 97 13.088 -5.031 -7.114 1.00 1.14 N ATOM 1325 CA LYS A 97 12.286 -3.818 -6.901 1.00 1.11 C ATOM 1326 C LYS A 97 10.841 -4.172 -6.552 1.00 1.04 C ATOM 1327 O LYS A 97 9.917 -3.415 -6.840 1.00 1.76 O ATOM 1328 CB LYS A 97 12.326 -2.905 -8.132 1.00 1.47 C ATOM 1329 CG LYS A 97 11.852 -3.565 -9.418 1.00 1.47 C ATOM 1330 CD LYS A 97 11.752 -2.553 -10.548 1.00 1.89 C ATOM 1331 CE LYS A 97 11.452 -3.221 -11.881 1.00 2.34 C ATOM 1332 NZ LYS A 97 12.541 -4.144 -12.294 1.00 2.72 N ATOM 0 H LYS A 97 13.316 -5.222 -8.090 1.00 1.14 H new ATOM 0 HA LYS A 97 12.723 -3.279 -6.060 1.00 1.11 H new ATOM 0 HB2 LYS A 97 11.709 -2.028 -7.939 1.00 1.47 H new ATOM 0 HB3 LYS A 97 13.347 -2.551 -8.274 1.00 1.47 H new ATOM 0 HG2 LYS A 97 12.543 -4.360 -9.698 1.00 1.47 H new ATOM 0 HG3 LYS A 97 10.880 -4.030 -9.255 1.00 1.47 H new ATOM 0 HD2 LYS A 97 10.969 -1.830 -10.320 1.00 1.89 H new ATOM 0 HD3 LYS A 97 12.687 -1.998 -10.622 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.515 -3.774 -11.808 1.00 2.34 H new ATOM 0 HE3 LYS A 97 11.313 -2.458 -12.647 1.00 2.34 H new ATOM 0 HZ1 LYS A 97 12.451 -4.355 -13.309 1.00 2.72 H new ATOM 0 HZ2 LYS A 97 13.462 -3.697 -12.113 1.00 2.72 H new ATOM 0 HZ3 LYS A 97 12.472 -5.027 -11.750 1.00 2.72 H new ATOM 1346 N PHE A 98 10.697 -5.315 -5.890 1.00 0.89 N ATOM 1347 CA PHE A 98 9.423 -5.903 -5.528 1.00 0.92 C ATOM 1348 C PHE A 98 8.540 -6.139 -6.746 1.00 1.11 C ATOM 1349 O PHE A 98 7.959 -5.210 -7.304 1.00 2.12 O ATOM 1350 CB PHE A 98 8.677 -5.061 -4.499 1.00 1.15 C ATOM 1351 CG PHE A 98 7.452 -5.764 -4.017 1.00 0.75 C ATOM 1352 CD1 PHE A 98 7.568 -6.932 -3.283 1.00 1.02 C ATOM 1353 CD2 PHE A 98 6.192 -5.300 -4.341 1.00 0.96 C ATOM 1354 CE1 PHE A 98 6.446 -7.617 -2.876 1.00 0.94 C ATOM 1355 CE2 PHE A 98 5.069 -5.992 -3.941 1.00 0.87 C ATOM 1356 CZ PHE A 98 5.201 -7.145 -3.211 1.00 0.45 C ATOM 0 H PHE A 98 11.494 -5.872 -5.583 1.00 0.89 H new ATOM 0 HA PHE A 98 9.652 -6.869 -5.077 1.00 0.92 H new ATOM 0 HB2 PHE A 98 9.333 -4.847 -3.655 1.00 1.15 H new ATOM 0 HB3 PHE A 98 8.401 -4.103 -4.939 1.00 1.15 H new ATOM 0 HD1 PHE A 98 8.547 -7.309 -3.028 1.00 1.02 H new ATOM 0 HD2 PHE A 98 6.086 -4.389 -4.911 1.00 0.96 H new ATOM 0 HE1 PHE A 98 6.544 -8.522 -2.295 1.00 0.94 H new ATOM 0 HE2 PHE A 98 4.087 -5.627 -4.202 1.00 0.87 H new ATOM 0 HZ PHE A 98 4.320 -7.685 -2.897 1.00 0.45 H new ATOM 1366 N LYS A 99 8.441 -7.388 -7.160 1.00 0.80 N ATOM 1367 CA LYS A 99 7.528 -7.753 -8.221 1.00 0.78 C ATOM 1368 C LYS A 99 6.670 -8.923 -7.771 1.00 0.79 C ATOM 1369 O LYS A 99 7.166 -9.851 -7.145 1.00 1.43 O ATOM 1370 CB LYS A 99 8.277 -8.082 -9.507 1.00 1.02 C ATOM 1371 CG LYS A 99 7.352 -8.300 -10.688 1.00 1.34 C ATOM 1372 CD LYS A 99 8.124 -8.506 -11.982 1.00 1.63 C ATOM 1373 CE LYS A 99 9.160 -9.612 -11.843 1.00 2.05 C ATOM 1374 NZ LYS A 99 9.650 -10.083 -13.164 1.00 2.69 N ATOM 0 H LYS A 99 8.981 -8.164 -6.777 1.00 0.80 H new ATOM 0 HA LYS A 99 6.881 -6.902 -8.437 1.00 0.78 H new ATOM 0 HB2 LYS A 99 8.967 -7.271 -9.737 1.00 1.02 H new ATOM 0 HB3 LYS A 99 8.878 -8.978 -9.352 1.00 1.02 H new ATOM 0 HG2 LYS A 99 6.721 -9.169 -10.499 1.00 1.34 H new ATOM 0 HG3 LYS A 99 6.689 -7.441 -10.793 1.00 1.34 H new ATOM 0 HD2 LYS A 99 7.430 -8.755 -12.785 1.00 1.63 H new ATOM 0 HD3 LYS A 99 8.618 -7.576 -12.264 1.00 1.63 H new ATOM 0 HE2 LYS A 99 10.001 -9.249 -11.252 1.00 2.05 H new ATOM 0 HE3 LYS A 99 8.725 -10.450 -11.298 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 10.354 -10.836 -13.025 1.00 2.69 H new ATOM 0 HZ2 LYS A 99 8.852 -10.453 -13.718 1.00 2.69 H new ATOM 0 HZ3 LYS A 99 10.088 -9.290 -13.675 1.00 2.69 H new ATOM 1388 N ALA A 100 5.384 -8.866 -8.087 1.00 0.51 N ATOM 1389 CA ALA A 100 4.416 -9.783 -7.512 1.00 0.43 C ATOM 1390 C ALA A 100 3.153 -9.848 -8.340 1.00 0.40 C ATOM 1391 O ALA A 100 3.144 -9.485 -9.518 1.00 0.55 O ATOM 1392 CB ALA A 100 4.057 -9.325 -6.118 1.00 0.43 C ATOM 0 H ALA A 100 4.988 -8.191 -8.741 1.00 0.51 H new ATOM 0 HA ALA A 100 4.868 -10.775 -7.489 1.00 0.43 H new ATOM 0 HB1 ALA A 100 3.330 -10.012 -5.685 1.00 0.43 H new ATOM 0 HB2 ALA A 100 4.954 -9.307 -5.499 1.00 0.43 H new ATOM 0 HB3 ALA A 100 3.628 -8.324 -6.163 1.00 0.43 H new ATOM 1398 N GLU A 101 2.073 -10.282 -7.701 1.00 0.34 N ATOM 1399 CA GLU A 101 0.810 -10.432 -8.383 1.00 0.40 C ATOM 1400 C GLU A 101 -0.126 -9.250 -8.119 1.00 0.43 C ATOM 1401 O GLU A 101 -1.338 -9.369 -8.281 1.00 0.67 O ATOM 1402 CB GLU A 101 0.132 -11.747 -7.985 1.00 0.50 C ATOM 1403 CG GLU A 101 0.915 -12.985 -8.393 1.00 0.67 C ATOM 1404 CD GLU A 101 0.131 -14.262 -8.180 1.00 1.24 C ATOM 1405 OE1 GLU A 101 -0.725 -14.586 -9.032 1.00 1.57 O ATOM 1406 OE2 GLU A 101 0.353 -14.946 -7.158 1.00 1.99 O ATOM 0 H GLU A 101 2.055 -10.534 -6.713 1.00 0.34 H new ATOM 0 HA GLU A 101 1.021 -10.453 -9.452 1.00 0.40 H new ATOM 0 HB2 GLU A 101 -0.013 -11.759 -6.905 1.00 0.50 H new ATOM 0 HB3 GLU A 101 -0.858 -11.788 -8.440 1.00 0.50 H new ATOM 0 HG2 GLU A 101 1.194 -12.905 -9.444 1.00 0.67 H new ATOM 0 HG3 GLU A 101 1.841 -13.031 -7.820 1.00 0.67 H new ATOM 1413 N PHE A 102 0.431 -8.110 -7.718 1.00 0.38 N ATOM 1414 CA PHE A 102 -0.366 -6.917 -7.504 1.00 0.40 C ATOM 1415 C PHE A 102 -0.073 -5.896 -8.579 1.00 0.45 C ATOM 1416 O PHE A 102 0.793 -6.095 -9.432 1.00 0.80 O ATOM 1417 CB PHE A 102 -0.046 -6.219 -6.200 1.00 0.84 C ATOM 1418 CG PHE A 102 0.527 -7.081 -5.185 1.00 0.45 C ATOM 1419 CD1 PHE A 102 -0.273 -7.967 -4.533 1.00 0.52 C ATOM 1420 CD2 PHE A 102 1.856 -7.005 -4.878 1.00 0.62 C ATOM 1421 CE1 PHE A 102 0.239 -8.778 -3.580 1.00 0.59 C ATOM 1422 CE2 PHE A 102 2.377 -7.816 -3.923 1.00 0.58 C ATOM 1423 CZ PHE A 102 1.633 -8.694 -3.292 1.00 0.44 C ATOM 0 H PHE A 102 1.428 -7.993 -7.537 1.00 0.38 H new ATOM 0 HA PHE A 102 -1.401 -7.258 -7.507 1.00 0.40 H new ATOM 0 HB2 PHE A 102 0.648 -5.402 -6.400 1.00 0.84 H new ATOM 0 HB3 PHE A 102 -0.959 -5.773 -5.807 1.00 0.84 H new ATOM 0 HD1 PHE A 102 -1.323 -8.023 -4.778 1.00 0.52 H new ATOM 0 HD2 PHE A 102 2.491 -6.301 -5.395 1.00 0.62 H new ATOM 0 HE1 PHE A 102 -0.394 -9.474 -3.049 1.00 0.59 H new ATOM 0 HE2 PHE A 102 3.426 -7.737 -3.677 1.00 0.58 H new ATOM 0 HZ PHE A 102 2.075 -9.351 -2.557 1.00 0.44 H new ATOM 1433 N PRO A 103 -0.777 -4.775 -8.517 1.00 0.33 N ATOM 1434 CA PRO A 103 -0.411 -3.554 -9.197 1.00 0.39 C ATOM 1435 C PRO A 103 0.649 -2.813 -8.400 1.00 0.41 C ATOM 1436 O PRO A 103 0.364 -1.845 -7.692 1.00 0.62 O ATOM 1437 CB PRO A 103 -1.733 -2.780 -9.267 1.00 0.42 C ATOM 1438 CG PRO A 103 -2.766 -3.749 -8.783 1.00 0.58 C ATOM 1439 CD PRO A 103 -2.040 -4.612 -7.820 1.00 0.27 C ATOM 0 HA PRO A 103 0.023 -3.707 -10.185 1.00 0.39 H new ATOM 0 HB2 PRO A 103 -1.703 -1.888 -8.642 1.00 0.42 H new ATOM 0 HB3 PRO A 103 -1.945 -2.450 -10.284 1.00 0.42 H new ATOM 0 HG2 PRO A 103 -3.600 -3.235 -8.305 1.00 0.58 H new ATOM 0 HG3 PRO A 103 -3.180 -4.332 -9.606 1.00 0.58 H new ATOM 0 HD2 PRO A 103 -1.919 -4.137 -6.846 1.00 0.27 H new ATOM 0 HD3 PRO A 103 -2.546 -5.562 -7.650 1.00 0.27 H new ATOM 1447 N ILE A 104 1.872 -3.323 -8.488 1.00 0.35 N ATOM 1448 CA ILE A 104 3.009 -2.696 -7.849 1.00 0.35 C ATOM 1449 C ILE A 104 3.364 -1.471 -8.664 1.00 0.33 C ATOM 1450 O ILE A 104 3.346 -1.515 -9.896 1.00 0.44 O ATOM 1451 CB ILE A 104 4.236 -3.618 -7.785 1.00 0.41 C ATOM 1452 CG1 ILE A 104 3.943 -4.899 -7.011 1.00 0.52 C ATOM 1453 CG2 ILE A 104 5.418 -2.873 -7.158 1.00 0.45 C ATOM 1454 CD1 ILE A 104 4.862 -5.990 -7.430 1.00 1.34 C ATOM 0 H ILE A 104 2.096 -4.176 -9.001 1.00 0.35 H new ATOM 0 HA ILE A 104 2.738 -2.451 -6.822 1.00 0.35 H new ATOM 0 HB ILE A 104 4.491 -3.906 -8.805 1.00 0.41 H new ATOM 0 HG12 ILE A 104 4.052 -4.716 -5.942 1.00 0.52 H new ATOM 0 HG13 ILE A 104 2.910 -5.203 -7.179 1.00 0.52 H new ATOM 0 HG21 ILE A 104 6.284 -3.534 -7.116 1.00 0.45 H new ATOM 0 HG22 ILE A 104 5.658 -1.998 -7.762 1.00 0.45 H new ATOM 0 HG23 ILE A 104 5.154 -2.556 -6.149 1.00 0.45 H new ATOM 0 HD11 ILE A 104 4.635 -6.894 -6.865 1.00 1.34 H new ATOM 0 HD12 ILE A 104 4.733 -6.185 -8.495 1.00 1.34 H new ATOM 0 HD13 ILE A 104 5.893 -5.691 -7.238 1.00 1.34 H new ATOM 1466 N MET A 105 3.670 -0.387 -7.997 1.00 0.29 N ATOM 1467 CA MET A 105 3.814 0.865 -8.681 1.00 0.30 C ATOM 1468 C MET A 105 5.267 1.174 -9.009 1.00 0.27 C ATOM 1469 O MET A 105 6.153 0.342 -8.818 1.00 0.35 O ATOM 1470 CB MET A 105 3.182 1.988 -7.853 1.00 0.43 C ATOM 1471 CG MET A 105 4.067 2.555 -6.759 1.00 1.50 C ATOM 1472 SD MET A 105 4.753 4.177 -7.166 1.00 2.49 S ATOM 1473 CE MET A 105 3.286 5.113 -7.568 1.00 3.03 C ATOM 0 H MET A 105 3.822 -0.349 -6.989 1.00 0.29 H new ATOM 0 HA MET A 105 3.289 0.790 -9.633 1.00 0.30 H new ATOM 0 HB2 MET A 105 2.897 2.798 -8.525 1.00 0.43 H new ATOM 0 HB3 MET A 105 2.265 1.612 -7.399 1.00 0.43 H new ATOM 0 HG2 MET A 105 3.490 2.633 -5.838 1.00 1.50 H new ATOM 0 HG3 MET A 105 4.884 1.860 -6.565 1.00 1.50 H new ATOM 0 HE1 MET A 105 3.377 5.516 -8.577 1.00 3.03 H new ATOM 0 HE2 MET A 105 2.413 4.462 -7.514 1.00 3.03 H new ATOM 0 HE3 MET A 105 3.172 5.933 -6.859 1.00 3.03 H new ATOM 1483 N ALA A 106 5.497 2.391 -9.485 1.00 0.33 N ATOM 1484 CA ALA A 106 6.826 2.853 -9.882 1.00 0.52 C ATOM 1485 C ALA A 106 7.785 2.930 -8.701 1.00 0.66 C ATOM 1486 O ALA A 106 8.985 3.120 -8.885 1.00 1.46 O ATOM 1487 CB ALA A 106 6.703 4.214 -10.531 1.00 0.70 C ATOM 0 H ALA A 106 4.765 3.091 -9.608 1.00 0.33 H new ATOM 0 HA ALA A 106 7.237 2.130 -10.586 1.00 0.52 H new ATOM 0 HB1 ALA A 106 7.691 4.565 -10.830 1.00 0.70 H new ATOM 0 HB2 ALA A 106 6.062 4.141 -11.410 1.00 0.70 H new ATOM 0 HB3 ALA A 106 6.267 4.917 -9.821 1.00 0.70 H new ATOM 1493 N LYS A 107 7.221 2.727 -7.515 1.00 0.40 N ATOM 1494 CA LYS A 107 7.856 2.979 -6.225 1.00 0.36 C ATOM 1495 C LYS A 107 8.104 4.444 -6.034 1.00 0.38 C ATOM 1496 O LYS A 107 8.567 5.160 -6.922 1.00 0.59 O ATOM 1497 CB LYS A 107 9.165 2.213 -6.001 1.00 0.49 C ATOM 1498 CG LYS A 107 10.435 2.888 -6.505 1.00 0.84 C ATOM 1499 CD LYS A 107 11.635 1.969 -6.362 1.00 0.83 C ATOM 1500 CE LYS A 107 11.404 0.659 -7.093 1.00 0.95 C ATOM 1501 NZ LYS A 107 11.231 0.869 -8.556 1.00 1.76 N ATOM 0 H LYS A 107 6.271 2.368 -7.422 1.00 0.40 H new ATOM 0 HA LYS A 107 7.147 2.608 -5.485 1.00 0.36 H new ATOM 0 HB2 LYS A 107 9.276 2.029 -4.932 1.00 0.49 H new ATOM 0 HB3 LYS A 107 9.079 1.240 -6.484 1.00 0.49 H new ATOM 0 HG2 LYS A 107 10.311 3.169 -7.551 1.00 0.84 H new ATOM 0 HG3 LYS A 107 10.608 3.808 -5.946 1.00 0.84 H new ATOM 0 HD2 LYS A 107 12.523 2.460 -6.759 1.00 0.83 H new ATOM 0 HD3 LYS A 107 11.824 1.773 -5.307 1.00 0.83 H new ATOM 0 HE2 LYS A 107 12.247 -0.009 -6.918 1.00 0.95 H new ATOM 0 HE3 LYS A 107 10.519 0.168 -6.689 1.00 0.95 H new ATOM 0 HZ1 LYS A 107 11.194 -0.052 -9.037 1.00 1.76 H new ATOM 0 HZ2 LYS A 107 10.346 1.386 -8.730 1.00 1.76 H new ATOM 0 HZ3 LYS A 107 12.032 1.420 -8.925 1.00 1.76 H new ATOM 1515 N ILE A 108 7.748 4.881 -4.870 1.00 0.31 N ATOM 1516 CA ILE A 108 8.089 6.188 -4.426 1.00 0.35 C ATOM 1517 C ILE A 108 8.563 6.072 -2.997 1.00 0.36 C ATOM 1518 O ILE A 108 8.482 5.001 -2.386 1.00 0.42 O ATOM 1519 CB ILE A 108 6.914 7.193 -4.535 1.00 0.48 C ATOM 1520 CG1 ILE A 108 5.910 7.010 -3.393 1.00 0.82 C ATOM 1521 CG2 ILE A 108 6.221 7.058 -5.894 1.00 0.68 C ATOM 1522 CD1 ILE A 108 5.204 5.685 -3.385 1.00 0.64 C ATOM 0 H ILE A 108 7.209 4.335 -4.198 1.00 0.31 H new ATOM 0 HA ILE A 108 8.872 6.586 -5.071 1.00 0.35 H new ATOM 0 HB ILE A 108 7.325 8.199 -4.451 1.00 0.48 H new ATOM 0 HG12 ILE A 108 6.433 7.134 -2.445 1.00 0.82 H new ATOM 0 HG13 ILE A 108 5.165 7.803 -3.452 1.00 0.82 H new ATOM 0 HG21 ILE A 108 5.398 7.770 -5.955 1.00 0.68 H new ATOM 0 HG22 ILE A 108 6.938 7.262 -6.690 1.00 0.68 H new ATOM 0 HG23 ILE A 108 5.833 6.045 -6.006 1.00 0.68 H new ATOM 0 HD11 ILE A 108 4.514 5.646 -2.542 1.00 0.64 H new ATOM 0 HD12 ILE A 108 4.649 5.563 -4.315 1.00 0.64 H new ATOM 0 HD13 ILE A 108 5.936 4.883 -3.292 1.00 0.64 H new ATOM 1534 N ASN A 109 9.075 7.157 -2.500 1.00 0.38 N ATOM 1535 CA ASN A 109 9.551 7.258 -1.131 1.00 0.44 C ATOM 1536 C ASN A 109 8.444 7.105 -0.109 1.00 0.47 C ATOM 1537 O ASN A 109 8.174 8.051 0.614 1.00 0.76 O ATOM 1538 CB ASN A 109 10.159 8.632 -0.922 1.00 0.53 C ATOM 1539 CG ASN A 109 11.613 8.725 -1.291 1.00 0.98 C ATOM 1540 OD1 ASN A 109 11.971 8.932 -2.450 1.00 1.73 O ATOM 1541 ND2 ASN A 109 12.455 8.625 -0.287 1.00 1.16 N ATOM 0 H ASN A 109 9.181 8.019 -3.035 1.00 0.38 H new ATOM 0 HA ASN A 109 10.272 6.453 -0.989 1.00 0.44 H new ATOM 0 HB2 ASN A 109 9.599 9.358 -1.511 1.00 0.53 H new ATOM 0 HB3 ASN A 109 10.043 8.913 0.125 1.00 0.53 H new ATOM 0 HD21 ASN A 109 13.457 8.720 -0.451 1.00 1.16 H new ATOM 0 HD22 ASN A 109 12.106 8.453 0.656 1.00 1.16 H new ATOM 1548 N VAL A 110 7.790 5.958 -0.014 1.00 0.41 N ATOM 1549 CA VAL A 110 6.858 5.800 1.081 1.00 0.42 C ATOM 1550 C VAL A 110 7.660 5.667 2.358 1.00 0.44 C ATOM 1551 O VAL A 110 8.122 4.595 2.734 1.00 0.48 O ATOM 1552 CB VAL A 110 5.917 4.599 0.888 1.00 0.43 C ATOM 1553 CG1 VAL A 110 4.823 4.944 -0.092 1.00 0.60 C ATOM 1554 CG2 VAL A 110 6.672 3.381 0.404 1.00 0.77 C ATOM 0 H VAL A 110 7.881 5.163 -0.647 1.00 0.41 H new ATOM 0 HA VAL A 110 6.210 6.675 1.126 1.00 0.42 H new ATOM 0 HB VAL A 110 5.474 4.365 1.856 1.00 0.43 H new ATOM 0 HG11 VAL A 110 4.164 4.085 -0.219 1.00 0.60 H new ATOM 0 HG12 VAL A 110 4.248 5.789 0.287 1.00 0.60 H new ATOM 0 HG13 VAL A 110 5.265 5.208 -1.053 1.00 0.60 H new ATOM 0 HG21 VAL A 110 5.979 2.550 0.278 1.00 0.77 H new ATOM 0 HG22 VAL A 110 7.149 3.604 -0.550 1.00 0.77 H new ATOM 0 HG23 VAL A 110 7.433 3.110 1.136 1.00 0.77 H new ATOM 1564 N ASN A 111 7.800 6.799 3.012 1.00 0.48 N ATOM 1565 CA ASN A 111 8.703 6.957 4.125 1.00 0.56 C ATOM 1566 C ASN A 111 8.622 8.394 4.595 1.00 0.62 C ATOM 1567 O ASN A 111 7.872 9.192 4.028 1.00 0.67 O ATOM 1568 CB ASN A 111 10.134 6.557 3.723 1.00 0.65 C ATOM 1569 CG ASN A 111 10.668 7.279 2.496 1.00 1.20 C ATOM 1570 OD1 ASN A 111 10.514 8.494 2.337 1.00 1.90 O ATOM 1571 ND2 ASN A 111 11.293 6.517 1.604 1.00 1.72 N ATOM 0 H ASN A 111 7.281 7.646 2.780 1.00 0.48 H new ATOM 0 HA ASN A 111 8.419 6.299 4.946 1.00 0.56 H new ATOM 0 HB2 ASN A 111 10.802 6.751 4.563 1.00 0.65 H new ATOM 0 HB3 ASN A 111 10.159 5.483 3.537 1.00 0.65 H new ATOM 0 HD21 ASN A 111 11.666 6.933 0.750 1.00 1.72 H new ATOM 0 HD22 ASN A 111 11.399 5.517 1.773 1.00 1.72 H new ATOM 1578 N GLY A 112 9.383 8.730 5.616 1.00 0.73 N ATOM 1579 CA GLY A 112 9.209 10.014 6.252 1.00 0.85 C ATOM 1580 C GLY A 112 9.989 11.154 5.627 1.00 0.93 C ATOM 1581 O GLY A 112 10.059 12.229 6.226 1.00 1.47 O ATOM 0 H GLY A 112 10.115 8.142 6.016 1.00 0.73 H new ATOM 0 HA2 GLY A 112 8.149 10.269 6.237 1.00 0.85 H new ATOM 0 HA3 GLY A 112 9.501 9.926 7.299 1.00 0.85 H new ATOM 1585 N GLU A 113 10.577 10.976 4.440 1.00 0.88 N ATOM 1586 CA GLU A 113 11.346 12.080 3.871 1.00 1.23 C ATOM 1587 C GLU A 113 10.604 12.783 2.734 1.00 1.10 C ATOM 1588 O GLU A 113 10.578 14.010 2.684 1.00 1.39 O ATOM 1589 CB GLU A 113 12.741 11.643 3.402 1.00 1.61 C ATOM 1590 CG GLU A 113 12.811 11.134 1.969 1.00 1.83 C ATOM 1591 CD GLU A 113 14.223 11.178 1.414 1.00 2.29 C ATOM 1592 OE1 GLU A 113 15.003 12.066 1.812 1.00 2.81 O ATOM 1593 OE2 GLU A 113 14.566 10.304 0.589 1.00 2.65 O ATOM 0 H GLU A 113 10.539 10.124 3.881 1.00 0.88 H new ATOM 0 HA GLU A 113 11.473 12.795 4.684 1.00 1.23 H new ATOM 0 HB2 GLU A 113 13.423 12.487 3.505 1.00 1.61 H new ATOM 0 HB3 GLU A 113 13.102 10.859 4.068 1.00 1.61 H new ATOM 0 HG2 GLU A 113 12.439 10.110 1.930 1.00 1.83 H new ATOM 0 HG3 GLU A 113 12.156 11.736 1.339 1.00 1.83 H new ATOM 1600 N ASN A 114 9.996 12.030 1.818 1.00 0.79 N ATOM 1601 CA ASN A 114 9.351 12.646 0.666 1.00 0.79 C ATOM 1602 C ASN A 114 7.948 12.119 0.502 1.00 0.79 C ATOM 1603 O ASN A 114 7.036 12.871 0.156 1.00 1.22 O ATOM 1604 CB ASN A 114 10.140 12.378 -0.627 1.00 0.87 C ATOM 1605 CG ASN A 114 11.230 13.404 -0.919 1.00 1.45 C ATOM 1606 OD1 ASN A 114 11.602 13.608 -2.074 1.00 2.06 O ATOM 1607 ND2 ASN A 114 11.737 14.065 0.107 1.00 2.16 N ATOM 0 H ASN A 114 9.938 11.012 1.851 1.00 0.79 H new ATOM 0 HA ASN A 114 9.323 13.721 0.846 1.00 0.79 H new ATOM 0 HB2 ASN A 114 10.595 11.390 -0.563 1.00 0.87 H new ATOM 0 HB3 ASN A 114 9.444 12.355 -1.466 1.00 0.87 H new ATOM 0 HD21 ASN A 114 12.459 14.769 -0.046 1.00 2.16 H new ATOM 0 HD22 ASN A 114 11.406 13.871 1.052 1.00 2.16 H new ATOM 1614 N ALA A 115 7.773 10.829 0.800 1.00 0.59 N ATOM 1615 CA ALA A 115 6.494 10.179 0.640 1.00 0.61 C ATOM 1616 C ALA A 115 5.983 10.419 -0.771 1.00 0.68 C ATOM 1617 O ALA A 115 6.764 10.473 -1.724 1.00 1.26 O ATOM 1618 CB ALA A 115 5.521 10.669 1.698 1.00 0.86 C ATOM 0 H ALA A 115 8.512 10.222 1.154 1.00 0.59 H new ATOM 0 HA ALA A 115 6.599 9.103 0.780 1.00 0.61 H new ATOM 0 HB1 ALA A 115 4.560 10.172 1.567 1.00 0.86 H new ATOM 0 HB2 ALA A 115 5.915 10.441 2.688 1.00 0.86 H new ATOM 0 HB3 ALA A 115 5.388 11.746 1.599 1.00 0.86 H new ATOM 1624 N HIS A 116 4.687 10.529 -0.904 1.00 0.42 N ATOM 1625 CA HIS A 116 4.069 10.825 -2.160 1.00 0.35 C ATOM 1626 C HIS A 116 2.686 11.345 -1.878 1.00 0.29 C ATOM 1627 O HIS A 116 2.037 10.814 -0.999 1.00 0.29 O ATOM 1628 CB HIS A 116 4.057 9.543 -3.002 1.00 0.35 C ATOM 1629 CG HIS A 116 3.069 9.529 -4.108 1.00 0.31 C ATOM 1630 ND1 HIS A 116 1.741 9.563 -3.850 1.00 0.33 N ATOM 1631 CD2 HIS A 116 3.193 9.524 -5.457 1.00 0.31 C ATOM 1632 CE1 HIS A 116 1.074 9.599 -4.959 1.00 0.32 C ATOM 1633 NE2 HIS A 116 1.921 9.572 -5.967 1.00 0.32 N ATOM 0 H HIS A 116 4.029 10.414 -0.133 1.00 0.42 H new ATOM 0 HA HIS A 116 4.609 11.586 -2.723 1.00 0.35 H new ATOM 0 HB2 HIS A 116 5.052 9.392 -3.422 1.00 0.35 H new ATOM 0 HB3 HIS A 116 3.857 8.697 -2.345 1.00 0.35 H new ATOM 0 HD2 HIS A 116 4.114 9.489 -6.021 1.00 0.31 H new ATOM 0 HE1 HIS A 116 -0.002 9.644 -5.044 1.00 0.32 H new ATOM 0 HE2 HIS A 116 1.674 9.585 -6.956 1.00 0.32 H new ATOM 1642 N PRO A 117 2.236 12.381 -2.610 1.00 0.31 N ATOM 1643 CA PRO A 117 0.932 13.017 -2.437 1.00 0.31 C ATOM 1644 C PRO A 117 -0.144 12.079 -1.887 1.00 0.26 C ATOM 1645 O PRO A 117 -0.809 12.399 -0.914 1.00 0.27 O ATOM 1646 CB PRO A 117 0.599 13.448 -3.863 1.00 0.37 C ATOM 1647 CG PRO A 117 1.915 13.665 -4.544 1.00 0.40 C ATOM 1648 CD PRO A 117 2.988 13.052 -3.677 1.00 0.38 C ATOM 0 HA PRO A 117 0.963 13.825 -1.706 1.00 0.31 H new ATOM 0 HB2 PRO A 117 0.015 12.684 -4.376 1.00 0.37 H new ATOM 0 HB3 PRO A 117 0.002 14.360 -3.866 1.00 0.37 H new ATOM 0 HG2 PRO A 117 1.914 13.206 -5.533 1.00 0.40 H new ATOM 0 HG3 PRO A 117 2.101 14.730 -4.687 1.00 0.40 H new ATOM 0 HD2 PRO A 117 3.601 12.347 -4.238 1.00 0.38 H new ATOM 0 HD3 PRO A 117 3.660 13.811 -3.276 1.00 0.38 H new ATOM 1656 N LEU A 118 -0.278 10.906 -2.503 1.00 0.24 N ATOM 1657 CA LEU A 118 -1.231 9.893 -2.070 1.00 0.23 C ATOM 1658 C LEU A 118 -0.946 9.418 -0.645 1.00 0.27 C ATOM 1659 O LEU A 118 -1.829 9.414 0.197 1.00 0.28 O ATOM 1660 CB LEU A 118 -1.192 8.725 -3.042 1.00 0.24 C ATOM 1661 CG LEU A 118 -1.971 7.491 -2.625 1.00 0.25 C ATOM 1662 CD1 LEU A 118 -3.436 7.833 -2.494 1.00 0.39 C ATOM 1663 CD2 LEU A 118 -1.770 6.369 -3.631 1.00 0.27 C ATOM 0 H LEU A 118 0.273 10.634 -3.317 1.00 0.24 H new ATOM 0 HA LEU A 118 -2.228 10.334 -2.065 1.00 0.23 H new ATOM 0 HB2 LEU A 118 -1.575 9.065 -4.004 1.00 0.24 H new ATOM 0 HB3 LEU A 118 -0.151 8.440 -3.196 1.00 0.24 H new ATOM 0 HG LEU A 118 -1.602 7.148 -1.659 1.00 0.25 H new ATOM 0 HD11 LEU A 118 -3.992 6.944 -2.195 1.00 0.39 H new ATOM 0 HD12 LEU A 118 -3.562 8.611 -1.741 1.00 0.39 H new ATOM 0 HD13 LEU A 118 -3.813 8.191 -3.452 1.00 0.39 H new ATOM 0 HD21 LEU A 118 -2.336 5.492 -3.316 1.00 0.27 H new ATOM 0 HD22 LEU A 118 -2.119 6.693 -4.612 1.00 0.27 H new ATOM 0 HD23 LEU A 118 -0.711 6.116 -3.688 1.00 0.27 H new ATOM 1675 N TYR A 119 0.293 9.027 -0.381 1.00 0.32 N ATOM 1676 CA TYR A 119 0.682 8.537 0.935 1.00 0.42 C ATOM 1677 C TYR A 119 0.851 9.651 1.939 1.00 0.40 C ATOM 1678 O TYR A 119 0.578 9.459 3.116 1.00 0.41 O ATOM 1679 CB TYR A 119 1.950 7.718 0.866 1.00 0.57 C ATOM 1680 CG TYR A 119 1.689 6.308 0.444 1.00 0.54 C ATOM 1681 CD1 TYR A 119 1.434 6.001 -0.883 1.00 0.92 C ATOM 1682 CD2 TYR A 119 1.698 5.286 1.369 1.00 1.09 C ATOM 1683 CE1 TYR A 119 1.187 4.705 -1.273 1.00 1.74 C ATOM 1684 CE2 TYR A 119 1.460 3.989 0.992 1.00 1.88 C ATOM 1685 CZ TYR A 119 1.212 3.700 -0.339 1.00 2.20 C ATOM 1686 OH TYR A 119 0.938 2.414 -0.723 1.00 3.04 O ATOM 0 H TYR A 119 1.050 9.040 -1.065 1.00 0.32 H new ATOM 0 HA TYR A 119 -0.136 7.901 1.274 1.00 0.42 H new ATOM 0 HB2 TYR A 119 2.643 8.183 0.165 1.00 0.57 H new ATOM 0 HB3 TYR A 119 2.435 7.719 1.842 1.00 0.57 H new ATOM 0 HD1 TYR A 119 1.429 6.790 -1.621 1.00 0.92 H new ATOM 0 HD2 TYR A 119 1.896 5.510 2.407 1.00 1.09 H new ATOM 0 HE1 TYR A 119 0.975 4.480 -2.308 1.00 1.74 H new ATOM 0 HE2 TYR A 119 1.466 3.199 1.728 1.00 1.88 H new ATOM 0 HH TYR A 119 0.496 1.940 0.012 1.00 3.04 H new ATOM 1696 N GLU A 120 1.310 10.808 1.490 1.00 0.40 N ATOM 1697 CA GLU A 120 1.324 11.975 2.349 1.00 0.42 C ATOM 1698 C GLU A 120 -0.088 12.249 2.740 1.00 0.37 C ATOM 1699 O GLU A 120 -0.368 12.639 3.870 1.00 0.43 O ATOM 1700 CB GLU A 120 1.910 13.204 1.645 1.00 0.50 C ATOM 1701 CG GLU A 120 3.338 13.030 1.173 1.00 0.76 C ATOM 1702 CD GLU A 120 3.869 14.259 0.469 1.00 1.58 C ATOM 1703 OE1 GLU A 120 4.286 15.212 1.163 1.00 1.93 O ATOM 1704 OE2 GLU A 120 3.876 14.283 -0.776 1.00 2.44 O ATOM 0 H GLU A 120 1.672 10.961 0.549 1.00 0.40 H new ATOM 0 HA GLU A 120 1.955 11.777 3.216 1.00 0.42 H new ATOM 0 HB2 GLU A 120 1.284 13.450 0.787 1.00 0.50 H new ATOM 0 HB3 GLU A 120 1.866 14.054 2.326 1.00 0.50 H new ATOM 0 HG2 GLU A 120 3.975 12.801 2.028 1.00 0.76 H new ATOM 0 HG3 GLU A 120 3.393 12.176 0.498 1.00 0.76 H new ATOM 1711 N TYR A 121 -0.991 11.987 1.814 1.00 0.29 N ATOM 1712 CA TYR A 121 -2.397 12.093 2.146 1.00 0.28 C ATOM 1713 C TYR A 121 -2.797 10.980 3.107 1.00 0.27 C ATOM 1714 O TYR A 121 -3.596 11.186 4.007 1.00 0.29 O ATOM 1715 CB TYR A 121 -3.275 12.047 0.901 1.00 0.28 C ATOM 1716 CG TYR A 121 -4.743 12.002 1.225 1.00 0.30 C ATOM 1717 CD1 TYR A 121 -5.343 13.039 1.917 1.00 0.39 C ATOM 1718 CD2 TYR A 121 -5.520 10.915 0.857 1.00 0.33 C ATOM 1719 CE1 TYR A 121 -6.679 12.996 2.234 1.00 0.46 C ATOM 1720 CE2 TYR A 121 -6.858 10.864 1.171 1.00 0.41 C ATOM 1721 CZ TYR A 121 -7.437 11.907 1.859 1.00 0.46 C ATOM 1722 OH TYR A 121 -8.775 11.863 2.177 1.00 0.56 O ATOM 0 H TYR A 121 -0.785 11.708 0.855 1.00 0.29 H new ATOM 0 HA TYR A 121 -2.550 13.059 2.627 1.00 0.28 H new ATOM 0 HB2 TYR A 121 -3.070 12.923 0.285 1.00 0.28 H new ATOM 0 HB3 TYR A 121 -3.011 11.171 0.308 1.00 0.28 H new ATOM 0 HD1 TYR A 121 -4.753 13.894 2.212 1.00 0.39 H new ATOM 0 HD2 TYR A 121 -5.068 10.097 0.316 1.00 0.33 H new ATOM 0 HE1 TYR A 121 -7.134 13.812 2.775 1.00 0.46 H new ATOM 0 HE2 TYR A 121 -7.452 10.010 0.879 1.00 0.41 H new ATOM 0 HH TYR A 121 -9.165 12.756 2.074 1.00 0.56 H new ATOM 1732 N MET A 122 -2.181 9.828 2.941 1.00 0.27 N ATOM 1733 CA MET A 122 -2.605 8.616 3.620 1.00 0.29 C ATOM 1734 C MET A 122 -2.216 8.619 5.089 1.00 0.33 C ATOM 1735 O MET A 122 -3.057 8.400 5.961 1.00 0.35 O ATOM 1736 CB MET A 122 -2.048 7.392 2.922 1.00 0.33 C ATOM 1737 CG MET A 122 -2.867 7.007 1.713 1.00 0.71 C ATOM 1738 SD MET A 122 -2.197 5.605 0.819 1.00 0.56 S ATOM 1739 CE MET A 122 -3.589 5.279 -0.248 1.00 0.55 C ATOM 0 H MET A 122 -1.372 9.703 2.332 1.00 0.27 H new ATOM 0 HA MET A 122 -3.694 8.582 3.574 1.00 0.29 H new ATOM 0 HB2 MET A 122 -1.020 7.586 2.616 1.00 0.33 H new ATOM 0 HB3 MET A 122 -2.021 6.557 3.622 1.00 0.33 H new ATOM 0 HG2 MET A 122 -3.883 6.774 2.031 1.00 0.71 H new ATOM 0 HG3 MET A 122 -2.931 7.861 1.039 1.00 0.71 H new ATOM 0 HE1 MET A 122 -3.935 4.257 -0.093 1.00 0.55 H new ATOM 0 HE2 MET A 122 -4.396 5.974 -0.016 1.00 0.55 H new ATOM 0 HE3 MET A 122 -3.288 5.406 -1.288 1.00 0.55 H new ATOM 1749 N LYS A 123 -0.938 8.869 5.372 1.00 0.37 N ATOM 1750 CA LYS A 123 -0.495 8.958 6.754 1.00 0.45 C ATOM 1751 C LYS A 123 -1.059 10.211 7.396 1.00 0.47 C ATOM 1752 O LYS A 123 -1.189 10.285 8.617 1.00 0.54 O ATOM 1753 CB LYS A 123 1.033 8.875 6.932 1.00 0.53 C ATOM 1754 CG LYS A 123 1.860 9.263 5.724 1.00 0.48 C ATOM 1755 CD LYS A 123 3.343 9.379 6.065 1.00 1.00 C ATOM 1756 CE LYS A 123 3.615 10.383 7.182 1.00 1.05 C ATOM 1757 NZ LYS A 123 3.517 11.797 6.729 1.00 1.46 N ATOM 0 H LYS A 123 -0.207 9.010 4.675 1.00 0.37 H new ATOM 0 HA LYS A 123 -0.886 8.077 7.264 1.00 0.45 H new ATOM 0 HB2 LYS A 123 1.318 9.517 7.765 1.00 0.53 H new ATOM 0 HB3 LYS A 123 1.292 7.854 7.213 1.00 0.53 H new ATOM 0 HG2 LYS A 123 1.725 8.520 4.938 1.00 0.48 H new ATOM 0 HG3 LYS A 123 1.502 10.214 5.329 1.00 0.48 H new ATOM 0 HD2 LYS A 123 3.721 8.401 6.362 1.00 1.00 H new ATOM 0 HD3 LYS A 123 3.894 9.676 5.173 1.00 1.00 H new ATOM 0 HE2 LYS A 123 2.906 10.217 7.993 1.00 1.05 H new ATOM 0 HE3 LYS A 123 4.611 10.205 7.588 1.00 1.05 H new ATOM 0 HZ1 LYS A 123 3.711 12.432 7.529 1.00 1.46 H new ATOM 0 HZ2 LYS A 123 4.212 11.969 5.974 1.00 1.46 H new ATOM 0 HZ3 LYS A 123 2.560 11.980 6.367 1.00 1.46 H new ATOM 1771 N LYS A 124 -1.377 11.204 6.569 1.00 0.43 N ATOM 1772 CA LYS A 124 -2.114 12.356 7.045 1.00 0.50 C ATOM 1773 C LYS A 124 -3.523 11.944 7.476 1.00 0.49 C ATOM 1774 O LYS A 124 -4.049 12.440 8.475 1.00 0.57 O ATOM 1775 CB LYS A 124 -2.179 13.445 5.969 1.00 0.56 C ATOM 1776 CG LYS A 124 -3.512 14.166 5.904 1.00 0.59 C ATOM 1777 CD LYS A 124 -3.500 15.301 4.901 1.00 0.97 C ATOM 1778 CE LYS A 124 -4.909 15.803 4.652 1.00 1.41 C ATOM 1779 NZ LYS A 124 -4.927 17.109 3.948 1.00 1.99 N ATOM 0 H LYS A 124 -1.136 11.229 5.578 1.00 0.43 H new ATOM 0 HA LYS A 124 -1.590 12.764 7.909 1.00 0.50 H new ATOM 0 HB2 LYS A 124 -1.391 14.175 6.156 1.00 0.56 H new ATOM 0 HB3 LYS A 124 -1.973 12.995 4.998 1.00 0.56 H new ATOM 0 HG2 LYS A 124 -4.295 13.456 5.637 1.00 0.59 H new ATOM 0 HG3 LYS A 124 -3.760 14.558 6.891 1.00 0.59 H new ATOM 0 HD2 LYS A 124 -2.877 16.115 5.272 1.00 0.97 H new ATOM 0 HD3 LYS A 124 -3.057 14.962 3.964 1.00 0.97 H new ATOM 0 HE2 LYS A 124 -5.455 15.067 4.062 1.00 1.41 H new ATOM 0 HE3 LYS A 124 -5.431 15.899 5.604 1.00 1.41 H new ATOM 0 HZ1 LYS A 124 -5.911 17.410 3.801 1.00 1.99 H new ATOM 0 HZ2 LYS A 124 -4.430 17.820 4.522 1.00 1.99 H new ATOM 0 HZ3 LYS A 124 -4.453 17.014 3.027 1.00 1.99 H new ATOM 1793 N THR A 125 -4.116 11.020 6.722 1.00 0.42 N ATOM 1794 CA THR A 125 -5.490 10.590 6.980 1.00 0.44 C ATOM 1795 C THR A 125 -5.608 9.873 8.328 1.00 0.44 C ATOM 1796 O THR A 125 -6.332 10.323 9.222 1.00 0.56 O ATOM 1797 CB THR A 125 -6.043 9.678 5.868 1.00 0.49 C ATOM 1798 OG1 THR A 125 -5.903 10.314 4.594 1.00 0.57 O ATOM 1799 CG2 THR A 125 -7.512 9.380 6.112 1.00 0.59 C ATOM 0 H THR A 125 -3.669 10.556 5.931 1.00 0.42 H new ATOM 0 HA THR A 125 -6.088 11.501 7.001 1.00 0.44 H new ATOM 0 HB THR A 125 -5.477 8.747 5.877 1.00 0.49 H new ATOM 0 HG1 THR A 125 -4.971 10.252 4.298 1.00 0.57 H new ATOM 0 HG21 THR A 125 -7.889 8.735 5.319 1.00 0.59 H new ATOM 0 HG22 THR A 125 -7.627 8.878 7.073 1.00 0.59 H new ATOM 0 HG23 THR A 125 -8.076 10.313 6.120 1.00 0.59 H new ATOM 1807 N LYS A 126 -4.897 8.759 8.476 1.00 0.44 N ATOM 1808 CA LYS A 126 -4.898 8.018 9.732 1.00 0.54 C ATOM 1809 C LYS A 126 -3.495 7.500 10.032 1.00 0.57 C ATOM 1810 O LYS A 126 -2.871 6.865 9.181 1.00 0.68 O ATOM 1811 CB LYS A 126 -5.908 6.858 9.695 1.00 0.78 C ATOM 1812 CG LYS A 126 -6.175 6.250 11.069 1.00 1.26 C ATOM 1813 CD LYS A 126 -7.152 5.078 11.020 1.00 0.92 C ATOM 1814 CE LYS A 126 -8.576 5.506 10.697 1.00 1.27 C ATOM 1815 NZ LYS A 126 -9.553 4.428 11.003 1.00 1.85 N ATOM 0 H LYS A 126 -4.315 8.351 7.744 1.00 0.44 H new ATOM 0 HA LYS A 126 -5.204 8.696 10.529 1.00 0.54 H new ATOM 0 HB2 LYS A 126 -6.848 7.216 9.274 1.00 0.78 H new ATOM 0 HB3 LYS A 126 -5.535 6.081 9.027 1.00 0.78 H new ATOM 0 HG2 LYS A 126 -5.233 5.913 11.501 1.00 1.26 H new ATOM 0 HG3 LYS A 126 -6.572 7.020 11.731 1.00 1.26 H new ATOM 0 HD2 LYS A 126 -6.815 4.362 10.271 1.00 0.92 H new ATOM 0 HD3 LYS A 126 -7.142 4.563 11.981 1.00 0.92 H new ATOM 0 HE2 LYS A 126 -8.827 6.399 11.269 1.00 1.27 H new ATOM 0 HE3 LYS A 126 -8.646 5.773 9.643 1.00 1.27 H new ATOM 0 HZ1 LYS A 126 -10.498 4.714 10.677 1.00 1.85 H new ATOM 0 HZ2 LYS A 126 -9.269 3.554 10.517 1.00 1.85 H new ATOM 0 HZ3 LYS A 126 -9.576 4.261 12.029 1.00 1.85 H new ATOM 1829 N PRO A 127 -2.980 7.786 11.250 1.00 0.77 N ATOM 1830 CA PRO A 127 -1.629 7.384 11.683 1.00 1.04 C ATOM 1831 C PRO A 127 -1.427 5.869 11.774 1.00 1.27 C ATOM 1832 O PRO A 127 -0.351 5.401 12.143 1.00 1.69 O ATOM 1833 CB PRO A 127 -1.475 8.023 13.069 1.00 1.28 C ATOM 1834 CG PRO A 127 -2.520 9.082 13.124 1.00 1.22 C ATOM 1835 CD PRO A 127 -3.661 8.574 12.289 1.00 0.95 C ATOM 0 HA PRO A 127 -0.886 7.710 10.956 1.00 1.04 H new ATOM 0 HB2 PRO A 127 -1.617 7.287 13.861 1.00 1.28 H new ATOM 0 HB3 PRO A 127 -0.479 8.445 13.201 1.00 1.28 H new ATOM 0 HG2 PRO A 127 -2.838 9.265 14.150 1.00 1.22 H new ATOM 0 HG3 PRO A 127 -2.140 10.027 12.734 1.00 1.22 H new ATOM 0 HD2 PRO A 127 -4.349 7.963 12.873 1.00 0.95 H new ATOM 0 HD3 PRO A 127 -4.243 9.390 11.861 1.00 0.95 H new ATOM 1843 N GLY A 128 -2.464 5.113 11.425 1.00 1.55 N ATOM 1844 CA GLY A 128 -2.331 3.676 11.283 1.00 1.96 C ATOM 1845 C GLY A 128 -2.413 2.931 12.592 1.00 2.13 C ATOM 1846 O GLY A 128 -1.412 2.395 13.062 1.00 2.59 O ATOM 0 H GLY A 128 -3.399 5.474 11.237 1.00 1.55 H new ATOM 0 HA2 GLY A 128 -3.113 3.311 10.617 1.00 1.96 H new ATOM 0 HA3 GLY A 128 -1.376 3.453 10.806 1.00 1.96 H new ATOM 1850 N ILE A 129 -3.612 2.891 13.171 1.00 2.17 N ATOM 1851 CA ILE A 129 -3.867 2.169 14.419 1.00 2.46 C ATOM 1852 C ILE A 129 -3.265 2.903 15.616 1.00 2.36 C ATOM 1853 O ILE A 129 -3.979 3.270 16.550 1.00 2.70 O ATOM 1854 CB ILE A 129 -3.332 0.715 14.375 1.00 2.91 C ATOM 1855 CG1 ILE A 129 -3.992 -0.060 13.229 1.00 3.06 C ATOM 1856 CG2 ILE A 129 -3.573 0.011 15.706 1.00 3.44 C ATOM 1857 CD1 ILE A 129 -3.446 -1.460 13.041 1.00 3.58 C ATOM 0 H ILE A 129 -4.435 3.358 12.789 1.00 2.17 H new ATOM 0 HA ILE A 129 -4.950 2.127 14.534 1.00 2.46 H new ATOM 0 HB ILE A 129 -2.257 0.749 14.198 1.00 2.91 H new ATOM 0 HG12 ILE A 129 -5.064 -0.121 13.415 1.00 3.06 H new ATOM 0 HG13 ILE A 129 -3.860 0.498 12.302 1.00 3.06 H new ATOM 0 HG21 ILE A 129 -3.190 -1.008 15.653 1.00 3.44 H new ATOM 0 HG22 ILE A 129 -3.059 0.551 16.501 1.00 3.44 H new ATOM 0 HG23 ILE A 129 -4.642 -0.014 15.916 1.00 3.44 H new ATOM 0 HD11 ILE A 129 -3.963 -1.944 12.212 1.00 3.58 H new ATOM 0 HD12 ILE A 129 -2.379 -1.408 12.823 1.00 3.58 H new ATOM 0 HD13 ILE A 129 -3.602 -2.037 13.952 1.00 3.58 H new ATOM 1869 N LEU A 130 -1.961 3.134 15.579 1.00 2.12 N ATOM 1870 CA LEU A 130 -1.276 3.785 16.684 1.00 2.29 C ATOM 1871 C LEU A 130 -0.960 5.232 16.329 1.00 2.20 C ATOM 1872 O LEU A 130 -0.787 5.569 15.158 1.00 2.44 O ATOM 1873 CB LEU A 130 0.009 3.027 17.034 1.00 2.58 C ATOM 1874 CG LEU A 130 0.734 3.521 18.292 1.00 2.89 C ATOM 1875 CD1 LEU A 130 -0.151 3.369 19.520 1.00 3.36 C ATOM 1876 CD2 LEU A 130 2.041 2.770 18.480 1.00 3.47 C ATOM 0 H LEU A 130 -1.357 2.881 14.797 1.00 2.12 H new ATOM 0 HA LEU A 130 -1.931 3.776 17.555 1.00 2.29 H new ATOM 0 HB2 LEU A 130 -0.234 1.972 17.164 1.00 2.58 H new ATOM 0 HB3 LEU A 130 0.694 3.095 16.189 1.00 2.58 H new ATOM 0 HG LEU A 130 0.958 4.580 18.164 1.00 2.89 H new ATOM 0 HD11 LEU A 130 0.384 3.726 20.400 1.00 3.36 H new ATOM 0 HD12 LEU A 130 -1.061 3.953 19.387 1.00 3.36 H new ATOM 0 HD13 LEU A 130 -0.410 2.319 19.654 1.00 3.36 H new ATOM 0 HD21 LEU A 130 2.543 3.132 19.377 1.00 3.47 H new ATOM 0 HD22 LEU A 130 1.837 1.704 18.584 1.00 3.47 H new ATOM 0 HD23 LEU A 130 2.682 2.934 17.614 1.00 3.47 H new ATOM 1888 N ALA A 131 -0.902 6.088 17.342 1.00 2.45 N ATOM 1889 CA ALA A 131 -0.613 7.503 17.142 1.00 2.67 C ATOM 1890 C ALA A 131 0.882 7.736 16.929 1.00 2.55 C ATOM 1891 O ALA A 131 1.533 8.431 17.712 1.00 3.21 O ATOM 1892 CB ALA A 131 -1.115 8.311 18.331 1.00 3.28 C ATOM 0 H ALA A 131 -1.052 5.825 18.316 1.00 2.45 H new ATOM 0 HA ALA A 131 -1.133 7.835 16.243 1.00 2.67 H new ATOM 0 HB1 ALA A 131 -0.895 9.367 18.173 1.00 3.28 H new ATOM 0 HB2 ALA A 131 -2.192 8.176 18.434 1.00 3.28 H new ATOM 0 HB3 ALA A 131 -0.618 7.969 19.239 1.00 3.28 H new ATOM 1898 N THR A 132 1.429 7.142 15.880 1.00 2.02 N ATOM 1899 CA THR A 132 2.832 7.323 15.562 1.00 2.10 C ATOM 1900 C THR A 132 3.001 8.387 14.476 1.00 1.56 C ATOM 1901 O THR A 132 2.913 9.582 14.760 1.00 2.12 O ATOM 1902 CB THR A 132 3.485 5.997 15.118 1.00 2.73 C ATOM 1903 OG1 THR A 132 3.054 4.936 15.981 1.00 3.34 O ATOM 1904 CG2 THR A 132 5.004 6.095 15.158 1.00 3.56 C ATOM 0 H THR A 132 0.923 6.533 15.238 1.00 2.02 H new ATOM 0 HA THR A 132 3.337 7.659 16.468 1.00 2.10 H new ATOM 0 HB THR A 132 3.178 5.791 14.092 1.00 2.73 H new ATOM 0 HG1 THR A 132 3.468 4.094 15.697 1.00 3.34 H new ATOM 0 HG21 THR A 132 5.438 5.147 14.840 1.00 3.56 H new ATOM 0 HG22 THR A 132 5.335 6.888 14.488 1.00 3.56 H new ATOM 0 HG23 THR A 132 5.327 6.320 16.174 1.00 3.56 H new ATOM 1912 N LYS A 133 3.210 7.953 13.234 1.00 1.29 N ATOM 1913 CA LYS A 133 3.402 8.866 12.108 1.00 1.47 C ATOM 1914 C LYS A 133 3.176 8.149 10.781 1.00 1.14 C ATOM 1915 O LYS A 133 2.062 8.092 10.256 1.00 1.58 O ATOM 1916 CB LYS A 133 4.821 9.456 12.085 1.00 2.24 C ATOM 1917 CG LYS A 133 5.076 10.614 13.032 1.00 3.04 C ATOM 1918 CD LYS A 133 6.428 11.250 12.748 1.00 3.81 C ATOM 1919 CE LYS A 133 6.731 12.402 13.692 1.00 4.63 C ATOM 1920 NZ LYS A 133 7.040 11.933 15.067 1.00 5.17 N ATOM 0 H LYS A 133 3.251 6.966 12.981 1.00 1.29 H new ATOM 0 HA LYS A 133 2.675 9.668 12.238 1.00 1.47 H new ATOM 0 HB2 LYS A 133 5.528 8.660 12.318 1.00 2.24 H new ATOM 0 HB3 LYS A 133 5.038 9.788 11.070 1.00 2.24 H new ATOM 0 HG2 LYS A 133 4.288 11.359 12.924 1.00 3.04 H new ATOM 0 HG3 LYS A 133 5.043 10.262 14.063 1.00 3.04 H new ATOM 0 HD2 LYS A 133 7.209 10.495 12.837 1.00 3.81 H new ATOM 0 HD3 LYS A 133 6.449 11.610 11.719 1.00 3.81 H new ATOM 0 HE2 LYS A 133 7.575 12.973 13.306 1.00 4.63 H new ATOM 0 HE3 LYS A 133 5.877 13.078 13.724 1.00 4.63 H new ATOM 0 HZ1 LYS A 133 7.240 12.752 15.676 1.00 5.17 H new ATOM 0 HZ2 LYS A 133 6.225 11.410 15.447 1.00 5.17 H new ATOM 0 HZ3 LYS A 133 7.871 11.309 15.042 1.00 5.17 H new ATOM 1934 N ALA A 134 4.249 7.556 10.275 1.00 0.92 N ATOM 1935 CA ALA A 134 4.295 7.068 8.911 1.00 0.77 C ATOM 1936 C ALA A 134 4.147 5.560 8.832 1.00 0.81 C ATOM 1937 O ALA A 134 4.254 4.849 9.828 1.00 1.59 O ATOM 1938 CB ALA A 134 5.609 7.485 8.270 1.00 1.02 C ATOM 0 H ALA A 134 5.109 7.402 10.801 1.00 0.92 H new ATOM 0 HA ALA A 134 3.453 7.507 8.376 1.00 0.77 H new ATOM 0 HB1 ALA A 134 5.646 7.119 7.244 1.00 1.02 H new ATOM 0 HB2 ALA A 134 5.685 8.572 8.270 1.00 1.02 H new ATOM 0 HB3 ALA A 134 6.440 7.063 8.836 1.00 1.02 H new ATOM 1944 N ILE A 135 3.864 5.113 7.620 1.00 0.69 N ATOM 1945 CA ILE A 135 3.892 3.709 7.220 1.00 0.74 C ATOM 1946 C ILE A 135 5.324 3.139 7.302 1.00 1.09 C ATOM 1947 O ILE A 135 5.777 2.479 6.378 1.00 2.00 O ATOM 1948 CB ILE A 135 3.426 3.604 5.767 1.00 0.86 C ATOM 1949 CG1 ILE A 135 4.150 4.613 4.843 1.00 0.88 C ATOM 1950 CG2 ILE A 135 1.929 3.790 5.715 1.00 1.54 C ATOM 1951 CD1 ILE A 135 3.524 5.995 4.782 1.00 0.89 C ATOM 0 H ILE A 135 3.599 5.737 6.858 1.00 0.69 H new ATOM 0 HA ILE A 135 3.242 3.146 7.890 1.00 0.74 H new ATOM 0 HB ILE A 135 3.684 2.613 5.393 1.00 0.86 H new ATOM 0 HG12 ILE A 135 5.182 4.713 5.179 1.00 0.88 H new ATOM 0 HG13 ILE A 135 4.181 4.201 3.835 1.00 0.88 H new ATOM 0 HG21 ILE A 135 1.589 3.717 4.682 1.00 1.54 H new ATOM 0 HG22 ILE A 135 1.445 3.017 6.312 1.00 1.54 H new ATOM 0 HG23 ILE A 135 1.670 4.771 6.113 1.00 1.54 H new ATOM 0 HD11 ILE A 135 4.103 6.627 4.109 1.00 0.89 H new ATOM 0 HD12 ILE A 135 2.501 5.915 4.414 1.00 0.89 H new ATOM 0 HD13 ILE A 135 3.518 6.436 5.779 1.00 0.89 H new ATOM 1963 N LYS A 136 6.025 3.401 8.411 1.00 0.85 N ATOM 1964 CA LYS A 136 7.473 3.152 8.524 1.00 1.14 C ATOM 1965 C LYS A 136 7.801 1.662 8.702 1.00 0.75 C ATOM 1966 O LYS A 136 8.626 1.282 9.533 1.00 0.78 O ATOM 1967 CB LYS A 136 8.040 3.949 9.705 1.00 1.71 C ATOM 1968 CG LYS A 136 9.548 4.147 9.641 1.00 2.72 C ATOM 1969 CD LYS A 136 10.259 3.408 10.763 1.00 3.21 C ATOM 1970 CE LYS A 136 11.729 3.209 10.447 1.00 4.09 C ATOM 1971 NZ LYS A 136 12.434 2.476 11.526 1.00 4.81 N ATOM 0 H LYS A 136 5.608 3.791 9.256 1.00 0.85 H new ATOM 0 HA LYS A 136 7.933 3.476 7.591 1.00 1.14 H new ATOM 0 HB2 LYS A 136 7.555 4.925 9.740 1.00 1.71 H new ATOM 0 HB3 LYS A 136 7.789 3.435 10.633 1.00 1.71 H new ATOM 0 HG2 LYS A 136 9.921 3.795 8.679 1.00 2.72 H new ATOM 0 HG3 LYS A 136 9.779 5.211 9.702 1.00 2.72 H new ATOM 0 HD2 LYS A 136 10.157 3.969 11.692 1.00 3.21 H new ATOM 0 HD3 LYS A 136 9.785 2.440 10.921 1.00 3.21 H new ATOM 0 HE2 LYS A 136 11.828 2.659 9.511 1.00 4.09 H new ATOM 0 HE3 LYS A 136 12.203 4.179 10.298 1.00 4.09 H new ATOM 0 HZ1 LYS A 136 13.131 3.104 11.975 1.00 4.81 H new ATOM 0 HZ2 LYS A 136 11.745 2.159 12.238 1.00 4.81 H new ATOM 0 HZ3 LYS A 136 12.921 1.650 11.124 1.00 4.81 H new ATOM 1985 N TRP A 137 7.153 0.826 7.923 1.00 0.69 N ATOM 1986 CA TRP A 137 7.354 -0.607 7.982 1.00 0.45 C ATOM 1987 C TRP A 137 7.442 -1.165 6.573 1.00 0.43 C ATOM 1988 O TRP A 137 7.322 -0.427 5.606 1.00 0.55 O ATOM 1989 CB TRP A 137 6.214 -1.313 8.730 1.00 0.42 C ATOM 1990 CG TRP A 137 6.227 -1.151 10.217 1.00 0.62 C ATOM 1991 CD1 TRP A 137 6.503 -2.101 11.157 1.00 0.93 C ATOM 1992 CD2 TRP A 137 5.935 0.045 10.930 1.00 1.00 C ATOM 1993 NE1 TRP A 137 6.420 -1.546 12.413 1.00 1.11 N ATOM 1994 CE2 TRP A 137 6.074 -0.229 12.293 1.00 1.16 C ATOM 1995 CE3 TRP A 137 5.582 1.324 10.536 1.00 1.47 C ATOM 1996 CZ2 TRP A 137 5.870 0.742 13.264 1.00 1.59 C ATOM 1997 CZ3 TRP A 137 5.388 2.290 11.485 1.00 1.97 C ATOM 1998 CH2 TRP A 137 5.533 2.001 12.844 1.00 1.97 C ATOM 0 H TRP A 137 6.468 1.121 7.227 1.00 0.69 H new ATOM 0 HA TRP A 137 8.281 -0.790 8.525 1.00 0.45 H new ATOM 0 HB2 TRP A 137 5.264 -0.938 8.349 1.00 0.42 H new ATOM 0 HB3 TRP A 137 6.253 -2.377 8.497 1.00 0.42 H new ATOM 0 HD1 TRP A 137 6.749 -3.131 10.947 1.00 0.93 H new ATOM 0 HE1 TRP A 137 6.589 -2.037 13.291 1.00 1.11 H new ATOM 0 HE3 TRP A 137 5.461 1.557 9.488 1.00 1.47 H new ATOM 0 HZ2 TRP A 137 5.974 0.512 14.314 1.00 1.59 H new ATOM 0 HZ3 TRP A 137 5.119 3.290 11.179 1.00 1.97 H new ATOM 0 HH2 TRP A 137 5.377 2.782 13.574 1.00 1.97 H new ATOM 2009 N ASN A 138 7.743 -2.450 6.485 1.00 0.37 N ATOM 2010 CA ASN A 138 7.516 -3.267 5.276 1.00 0.38 C ATOM 2011 C ASN A 138 6.125 -3.010 4.688 1.00 0.31 C ATOM 2012 O ASN A 138 5.563 -1.952 4.854 1.00 0.30 O ATOM 2013 CB ASN A 138 7.679 -4.755 5.592 1.00 0.41 C ATOM 2014 CG ASN A 138 9.122 -5.171 5.849 1.00 1.06 C ATOM 2015 OD1 ASN A 138 9.491 -6.325 5.631 1.00 2.04 O ATOM 2016 ND2 ASN A 138 9.956 -4.236 6.280 1.00 1.40 N ATOM 0 H ASN A 138 8.158 -2.974 7.255 1.00 0.37 H new ATOM 0 HA ASN A 138 8.263 -2.977 4.537 1.00 0.38 H new ATOM 0 HB2 ASN A 138 7.078 -5.000 6.468 1.00 0.41 H new ATOM 0 HB3 ASN A 138 7.284 -5.339 4.761 1.00 0.41 H new ATOM 0 HD21 ASN A 138 10.937 -4.463 6.441 1.00 1.40 H new ATOM 0 HD22 ASN A 138 9.617 -3.289 6.451 1.00 1.40 H new ATOM 2023 N PHE A 139 5.598 -3.996 3.982 1.00 0.34 N ATOM 2024 CA PHE A 139 4.390 -3.858 3.157 1.00 0.36 C ATOM 2025 C PHE A 139 3.396 -2.773 3.622 1.00 0.32 C ATOM 2026 O PHE A 139 2.995 -1.994 2.787 1.00 0.57 O ATOM 2027 CB PHE A 139 3.689 -5.203 3.170 1.00 0.55 C ATOM 2028 CG PHE A 139 3.915 -6.030 1.943 1.00 0.55 C ATOM 2029 CD1 PHE A 139 5.198 -6.393 1.601 1.00 0.61 C ATOM 2030 CD2 PHE A 139 2.866 -6.407 1.111 1.00 1.23 C ATOM 2031 CE1 PHE A 139 5.450 -7.122 0.466 1.00 1.22 C ATOM 2032 CE2 PHE A 139 3.116 -7.132 -0.037 1.00 1.93 C ATOM 2033 CZ PHE A 139 4.254 -7.626 -0.294 1.00 1.89 C ATOM 0 H PHE A 139 5.998 -4.934 3.960 1.00 0.34 H new ATOM 0 HA PHE A 139 4.713 -3.542 2.165 1.00 0.36 H new ATOM 0 HB2 PHE A 139 4.026 -5.766 4.040 1.00 0.55 H new ATOM 0 HB3 PHE A 139 2.618 -5.040 3.291 1.00 0.55 H new ATOM 0 HD1 PHE A 139 6.020 -6.099 2.237 1.00 0.61 H new ATOM 0 HD2 PHE A 139 1.853 -6.132 1.364 1.00 1.23 H new ATOM 0 HE1 PHE A 139 6.458 -7.324 0.135 1.00 1.22 H new ATOM 0 HE2 PHE A 139 2.312 -7.284 -0.742 1.00 1.93 H new ATOM 0 HZ PHE A 139 4.363 -8.395 -1.045 1.00 1.89 H new ATOM 2043 N THR A 140 3.017 -2.721 4.919 1.00 0.25 N ATOM 2044 CA THR A 140 2.183 -1.645 5.486 1.00 0.25 C ATOM 2045 C THR A 140 1.065 -1.179 4.560 1.00 0.22 C ATOM 2046 O THR A 140 1.265 -0.457 3.591 1.00 0.29 O ATOM 2047 CB THR A 140 3.011 -0.427 5.913 1.00 0.37 C ATOM 2048 OG1 THR A 140 4.155 -0.853 6.648 1.00 0.48 O ATOM 2049 CG2 THR A 140 2.183 0.503 6.783 1.00 0.60 C ATOM 0 H THR A 140 3.284 -3.429 5.602 1.00 0.25 H new ATOM 0 HA THR A 140 1.725 -2.101 6.364 1.00 0.25 H new ATOM 0 HB THR A 140 3.324 0.106 5.015 1.00 0.37 H new ATOM 0 HG1 THR A 140 4.790 -1.289 6.042 1.00 0.48 H new ATOM 0 HG21 THR A 140 2.788 1.361 7.076 1.00 0.60 H new ATOM 0 HG22 THR A 140 1.313 0.846 6.223 1.00 0.60 H new ATOM 0 HG23 THR A 140 1.854 -0.030 7.675 1.00 0.60 H new ATOM 2057 N SER A 141 -0.124 -1.528 4.927 1.00 0.19 N ATOM 2058 CA SER A 141 -1.260 -1.326 4.051 1.00 0.20 C ATOM 2059 C SER A 141 -2.025 -0.092 4.472 1.00 0.22 C ATOM 2060 O SER A 141 -1.791 0.423 5.553 1.00 0.39 O ATOM 2061 CB SER A 141 -2.157 -2.542 4.118 1.00 0.26 C ATOM 2062 OG SER A 141 -1.390 -3.725 4.230 1.00 0.62 O ATOM 0 H SER A 141 -0.347 -1.956 5.826 1.00 0.19 H new ATOM 0 HA SER A 141 -0.912 -1.186 3.027 1.00 0.20 H new ATOM 0 HB2 SER A 141 -2.830 -2.457 4.971 1.00 0.26 H new ATOM 0 HB3 SER A 141 -2.780 -2.590 3.225 1.00 0.26 H new ATOM 0 HG SER A 141 -1.072 -3.994 3.343 1.00 0.62 H new ATOM 2068 N PHE A 142 -2.899 0.398 3.613 1.00 0.19 N ATOM 2069 CA PHE A 142 -3.918 1.335 4.017 1.00 0.18 C ATOM 2070 C PHE A 142 -5.206 0.778 3.518 1.00 0.18 C ATOM 2071 O PHE A 142 -5.330 0.473 2.342 1.00 0.21 O ATOM 2072 CB PHE A 142 -3.736 2.714 3.387 1.00 0.22 C ATOM 2073 CG PHE A 142 -2.774 3.620 4.081 1.00 0.26 C ATOM 2074 CD1 PHE A 142 -3.167 4.335 5.199 1.00 0.35 C ATOM 2075 CD2 PHE A 142 -1.492 3.784 3.598 1.00 0.42 C ATOM 2076 CE1 PHE A 142 -2.295 5.199 5.823 1.00 0.50 C ATOM 2077 CE2 PHE A 142 -0.616 4.644 4.218 1.00 0.55 C ATOM 2078 CZ PHE A 142 -1.016 5.353 5.333 1.00 0.57 C ATOM 0 H PHE A 142 -2.919 0.157 2.622 1.00 0.19 H new ATOM 0 HA PHE A 142 -3.877 1.462 5.099 1.00 0.18 H new ATOM 0 HB2 PHE A 142 -3.404 2.582 2.357 1.00 0.22 H new ATOM 0 HB3 PHE A 142 -4.708 3.207 3.348 1.00 0.22 H new ATOM 0 HD1 PHE A 142 -4.168 4.214 5.586 1.00 0.35 H new ATOM 0 HD2 PHE A 142 -1.174 3.232 2.726 1.00 0.42 H new ATOM 0 HE1 PHE A 142 -2.612 5.754 6.693 1.00 0.50 H new ATOM 0 HE2 PHE A 142 0.386 4.765 3.832 1.00 0.55 H new ATOM 0 HZ PHE A 142 -0.328 6.027 5.821 1.00 0.57 H new ATOM 2088 N LEU A 143 -6.159 0.618 4.369 1.00 0.17 N ATOM 2089 CA LEU A 143 -7.406 0.128 3.906 1.00 0.16 C ATOM 2090 C LEU A 143 -8.174 1.265 3.315 1.00 0.15 C ATOM 2091 O LEU A 143 -8.708 2.126 4.008 1.00 0.18 O ATOM 2092 CB LEU A 143 -8.162 -0.550 5.012 1.00 0.21 C ATOM 2093 CG LEU A 143 -9.674 -0.549 4.847 1.00 0.23 C ATOM 2094 CD1 LEU A 143 -10.126 -1.699 3.963 1.00 0.41 C ATOM 2095 CD2 LEU A 143 -10.362 -0.584 6.201 1.00 0.43 C ATOM 0 H LEU A 143 -6.101 0.815 5.368 1.00 0.17 H new ATOM 0 HA LEU A 143 -7.247 -0.627 3.136 1.00 0.16 H new ATOM 0 HB2 LEU A 143 -7.820 -1.582 5.087 1.00 0.21 H new ATOM 0 HB3 LEU A 143 -7.913 -0.062 5.955 1.00 0.21 H new ATOM 0 HG LEU A 143 -9.963 0.378 4.351 1.00 0.23 H new ATOM 0 HD11 LEU A 143 -11.211 -1.675 3.861 1.00 0.41 H new ATOM 0 HD12 LEU A 143 -9.667 -1.604 2.979 1.00 0.41 H new ATOM 0 HD13 LEU A 143 -9.825 -2.645 4.414 1.00 0.41 H new ATOM 0 HD21 LEU A 143 -11.443 -0.583 6.060 1.00 0.43 H new ATOM 0 HD22 LEU A 143 -10.067 -1.487 6.736 1.00 0.43 H new ATOM 0 HD23 LEU A 143 -10.071 0.292 6.780 1.00 0.43 H new ATOM 2107 N ILE A 144 -8.185 1.252 2.019 1.00 0.14 N ATOM 2108 CA ILE A 144 -8.823 2.259 1.249 1.00 0.14 C ATOM 2109 C ILE A 144 -10.228 1.793 0.964 1.00 0.15 C ATOM 2110 O ILE A 144 -10.428 0.629 0.649 1.00 0.19 O ATOM 2111 CB ILE A 144 -8.068 2.471 -0.068 1.00 0.15 C ATOM 2112 CG1 ILE A 144 -6.589 2.763 0.173 1.00 0.17 C ATOM 2113 CG2 ILE A 144 -8.718 3.579 -0.855 1.00 0.17 C ATOM 2114 CD1 ILE A 144 -6.337 3.844 1.178 1.00 0.19 C ATOM 0 H ILE A 144 -7.740 0.524 1.460 1.00 0.14 H new ATOM 0 HA ILE A 144 -8.834 3.204 1.792 1.00 0.14 H new ATOM 0 HB ILE A 144 -8.120 1.549 -0.647 1.00 0.15 H new ATOM 0 HG12 ILE A 144 -6.099 1.849 0.507 1.00 0.17 H new ATOM 0 HG13 ILE A 144 -6.126 3.045 -0.773 1.00 0.17 H new ATOM 0 HG21 ILE A 144 -8.178 3.726 -1.790 1.00 0.17 H new ATOM 0 HG22 ILE A 144 -9.753 3.313 -1.071 1.00 0.17 H new ATOM 0 HG23 ILE A 144 -8.694 4.501 -0.274 1.00 0.17 H new ATOM 0 HD11 ILE A 144 -5.263 3.991 1.292 1.00 0.19 H new ATOM 0 HD12 ILE A 144 -6.796 4.772 0.837 1.00 0.19 H new ATOM 0 HD13 ILE A 144 -6.768 3.557 2.137 1.00 0.19 H new ATOM 2126 N ASP A 145 -11.193 2.674 1.085 1.00 0.14 N ATOM 2127 CA ASP A 145 -12.589 2.235 1.020 1.00 0.15 C ATOM 2128 C ASP A 145 -13.125 2.284 -0.407 1.00 0.14 C ATOM 2129 O ASP A 145 -12.376 2.537 -1.349 1.00 0.15 O ATOM 2130 CB ASP A 145 -13.483 3.038 1.981 1.00 0.19 C ATOM 2131 CG ASP A 145 -14.324 4.101 1.295 1.00 0.58 C ATOM 2132 OD1 ASP A 145 -13.757 5.090 0.808 1.00 0.98 O ATOM 2133 OD2 ASP A 145 -15.560 3.920 1.212 1.00 0.75 O ATOM 0 H ASP A 145 -11.056 3.675 1.226 1.00 0.14 H new ATOM 0 HA ASP A 145 -12.614 1.195 1.345 1.00 0.15 H new ATOM 0 HB2 ASP A 145 -14.144 2.350 2.508 1.00 0.19 H new ATOM 0 HB3 ASP A 145 -12.855 3.515 2.733 1.00 0.19 H new ATOM 2138 N ARG A 146 -14.419 2.019 -0.553 1.00 0.17 N ATOM 2139 CA ARG A 146 -15.069 1.977 -1.854 1.00 0.17 C ATOM 2140 C ARG A 146 -14.864 3.280 -2.611 1.00 0.18 C ATOM 2141 O ARG A 146 -14.609 3.273 -3.812 1.00 0.22 O ATOM 2142 CB ARG A 146 -16.562 1.724 -1.677 1.00 0.19 C ATOM 2143 CG ARG A 146 -16.863 0.667 -0.636 1.00 0.24 C ATOM 2144 CD ARG A 146 -18.349 0.436 -0.486 1.00 0.29 C ATOM 2145 NE ARG A 146 -18.636 -0.400 0.680 1.00 1.00 N ATOM 2146 CZ ARG A 146 -19.060 0.066 1.862 1.00 1.46 C ATOM 2147 NH1 ARG A 146 -19.232 1.372 2.047 1.00 1.63 N ATOM 2148 NH2 ARG A 146 -19.283 -0.776 2.869 1.00 2.22 N ATOM 0 H ARG A 146 -15.045 1.827 0.229 1.00 0.17 H new ATOM 0 HA ARG A 146 -14.622 1.167 -2.431 1.00 0.17 H new ATOM 0 HB2 ARG A 146 -17.052 2.656 -1.393 1.00 0.19 H new ATOM 0 HB3 ARG A 146 -16.989 1.418 -2.632 1.00 0.19 H new ATOM 0 HG2 ARG A 146 -16.376 -0.267 -0.915 1.00 0.24 H new ATOM 0 HG3 ARG A 146 -16.444 0.971 0.323 1.00 0.24 H new ATOM 0 HD2 ARG A 146 -18.861 1.393 -0.386 1.00 0.29 H new ATOM 0 HD3 ARG A 146 -18.739 -0.042 -1.385 1.00 0.29 H new ATOM 0 HE ARG A 146 -18.504 -1.407 0.586 1.00 1.00 H new ATOM 0 HH11 ARG A 146 -19.041 2.024 1.287 1.00 1.63 H new ATOM 0 HH12 ARG A 146 -19.555 1.721 2.949 1.00 1.63 H new ATOM 0 HH21 ARG A 146 -19.131 -1.776 2.741 1.00 2.22 H new ATOM 0 HH22 ARG A 146 -19.606 -0.421 3.769 1.00 2.22 H new ATOM 2162 N ASP A 147 -14.942 4.399 -1.908 1.00 0.18 N ATOM 2163 CA ASP A 147 -14.814 5.687 -2.561 1.00 0.21 C ATOM 2164 C ASP A 147 -13.384 6.181 -2.410 1.00 0.18 C ATOM 2165 O ASP A 147 -13.085 7.358 -2.597 1.00 0.24 O ATOM 2166 CB ASP A 147 -15.806 6.699 -1.981 1.00 0.28 C ATOM 2167 CG ASP A 147 -16.485 7.522 -3.061 1.00 1.09 C ATOM 2168 OD1 ASP A 147 -15.887 8.526 -3.514 1.00 1.19 O ATOM 2169 OD2 ASP A 147 -17.614 7.181 -3.467 1.00 2.00 O ATOM 0 H ASP A 147 -15.091 4.440 -0.900 1.00 0.18 H new ATOM 0 HA ASP A 147 -15.047 5.576 -3.620 1.00 0.21 H new ATOM 0 HB2 ASP A 147 -16.562 6.171 -1.400 1.00 0.28 H new ATOM 0 HB3 ASP A 147 -15.283 7.365 -1.294 1.00 0.28 H new ATOM 2174 N GLY A 148 -12.501 5.242 -2.087 1.00 0.16 N ATOM 2175 CA GLY A 148 -11.089 5.531 -1.967 1.00 0.16 C ATOM 2176 C GLY A 148 -10.702 6.312 -0.728 1.00 0.15 C ATOM 2177 O GLY A 148 -9.763 7.096 -0.767 1.00 0.17 O ATOM 0 H GLY A 148 -12.748 4.269 -1.904 1.00 0.16 H new ATOM 0 HA2 GLY A 148 -10.538 4.590 -1.973 1.00 0.16 H new ATOM 0 HA3 GLY A 148 -10.771 6.092 -2.846 1.00 0.16 H new ATOM 2181 N VAL A 149 -11.393 6.115 0.372 1.00 0.17 N ATOM 2182 CA VAL A 149 -10.987 6.761 1.607 1.00 0.18 C ATOM 2183 C VAL A 149 -10.087 5.837 2.431 1.00 0.17 C ATOM 2184 O VAL A 149 -10.449 4.705 2.723 1.00 0.24 O ATOM 2185 CB VAL A 149 -12.197 7.209 2.454 1.00 0.28 C ATOM 2186 CG1 VAL A 149 -11.742 7.898 3.733 1.00 0.97 C ATOM 2187 CG2 VAL A 149 -13.099 8.130 1.647 1.00 1.12 C ATOM 0 H VAL A 149 -12.223 5.526 0.442 1.00 0.17 H new ATOM 0 HA VAL A 149 -10.427 7.654 1.329 1.00 0.18 H new ATOM 0 HB VAL A 149 -12.764 6.320 2.731 1.00 0.28 H new ATOM 0 HG11 VAL A 149 -12.614 8.204 4.311 1.00 0.97 H new ATOM 0 HG12 VAL A 149 -11.139 7.208 4.323 1.00 0.97 H new ATOM 0 HG13 VAL A 149 -11.147 8.776 3.481 1.00 0.97 H new ATOM 0 HG21 VAL A 149 -13.947 8.436 2.259 1.00 1.12 H new ATOM 0 HG22 VAL A 149 -12.537 9.011 1.339 1.00 1.12 H new ATOM 0 HG23 VAL A 149 -13.460 7.603 0.764 1.00 1.12 H new ATOM 2197 N PRO A 150 -8.903 6.322 2.820 1.00 0.21 N ATOM 2198 CA PRO A 150 -7.951 5.549 3.609 1.00 0.20 C ATOM 2199 C PRO A 150 -8.376 5.528 5.061 1.00 0.23 C ATOM 2200 O PRO A 150 -8.241 6.514 5.779 1.00 0.34 O ATOM 2201 CB PRO A 150 -6.636 6.313 3.469 1.00 0.26 C ATOM 2202 CG PRO A 150 -6.980 7.665 2.932 1.00 0.29 C ATOM 2203 CD PRO A 150 -8.442 7.690 2.583 1.00 0.41 C ATOM 0 HA PRO A 150 -7.877 4.514 3.276 1.00 0.20 H new ATOM 0 HB2 PRO A 150 -6.132 6.396 4.432 1.00 0.26 H new ATOM 0 HB3 PRO A 150 -5.955 5.791 2.797 1.00 0.26 H new ATOM 0 HG2 PRO A 150 -6.755 8.433 3.672 1.00 0.29 H new ATOM 0 HG3 PRO A 150 -6.378 7.885 2.051 1.00 0.29 H new ATOM 0 HD2 PRO A 150 -8.985 8.404 3.202 1.00 0.41 H new ATOM 0 HD3 PRO A 150 -8.597 7.986 1.545 1.00 0.41 H new ATOM 2211 N VAL A 151 -8.896 4.415 5.492 1.00 0.22 N ATOM 2212 CA VAL A 151 -9.371 4.296 6.837 1.00 0.29 C ATOM 2213 C VAL A 151 -8.252 3.728 7.634 1.00 0.32 C ATOM 2214 O VAL A 151 -7.543 4.429 8.329 1.00 0.61 O ATOM 2215 CB VAL A 151 -10.596 3.364 6.934 1.00 0.42 C ATOM 2216 CG1 VAL A 151 -11.297 3.540 8.264 1.00 1.45 C ATOM 2217 CG2 VAL A 151 -11.559 3.605 5.783 1.00 1.13 C ATOM 0 H VAL A 151 -9.001 3.573 4.926 1.00 0.22 H new ATOM 0 HA VAL A 151 -9.685 5.273 7.205 1.00 0.29 H new ATOM 0 HB VAL A 151 -10.242 2.335 6.866 1.00 0.42 H new ATOM 0 HG11 VAL A 151 -12.158 2.874 8.312 1.00 1.45 H new ATOM 0 HG12 VAL A 151 -10.607 3.301 9.073 1.00 1.45 H new ATOM 0 HG13 VAL A 151 -11.631 4.573 8.365 1.00 1.45 H new ATOM 0 HG21 VAL A 151 -12.413 2.934 5.877 1.00 1.13 H new ATOM 0 HG22 VAL A 151 -11.905 4.638 5.808 1.00 1.13 H new ATOM 0 HG23 VAL A 151 -11.051 3.415 4.838 1.00 1.13 H new ATOM 2227 N GLU A 152 -8.013 2.481 7.404 1.00 0.19 N ATOM 2228 CA GLU A 152 -6.999 1.777 8.134 1.00 0.20 C ATOM 2229 C GLU A 152 -5.670 1.891 7.459 1.00 0.20 C ATOM 2230 O GLU A 152 -5.547 2.338 6.329 1.00 0.19 O ATOM 2231 CB GLU A 152 -7.312 0.291 8.247 1.00 0.21 C ATOM 2232 CG GLU A 152 -7.919 -0.119 9.565 1.00 0.57 C ATOM 2233 CD GLU A 152 -9.153 0.673 9.951 1.00 0.63 C ATOM 2234 OE1 GLU A 152 -9.013 1.842 10.375 1.00 1.17 O ATOM 2235 OE2 GLU A 152 -10.267 0.120 9.865 1.00 1.17 O ATOM 0 H GLU A 152 -8.508 1.919 6.711 1.00 0.19 H new ATOM 0 HA GLU A 152 -6.973 2.233 9.124 1.00 0.20 H new ATOM 0 HB2 GLU A 152 -7.995 0.014 7.444 1.00 0.21 H new ATOM 0 HB3 GLU A 152 -6.393 -0.274 8.093 1.00 0.21 H new ATOM 0 HG2 GLU A 152 -8.179 -1.177 9.520 1.00 0.57 H new ATOM 0 HG3 GLU A 152 -7.169 -0.008 10.348 1.00 0.57 H new ATOM 2242 N ARG A 153 -4.686 1.552 8.222 1.00 0.23 N ATOM 2243 CA ARG A 153 -3.430 1.105 7.709 1.00 0.24 C ATOM 2244 C ARG A 153 -3.025 -0.104 8.516 1.00 0.25 C ATOM 2245 O ARG A 153 -3.398 -0.224 9.684 1.00 0.39 O ATOM 2246 CB ARG A 153 -2.364 2.197 7.744 1.00 0.36 C ATOM 2247 CG ARG A 153 -1.072 1.783 8.425 1.00 0.40 C ATOM 2248 CD ARG A 153 -0.016 2.858 8.316 1.00 0.47 C ATOM 2249 NE ARG A 153 -0.523 4.224 8.507 1.00 0.65 N ATOM 2250 CZ ARG A 153 0.205 5.200 9.043 1.00 1.51 C ATOM 2251 NH1 ARG A 153 1.345 4.913 9.653 1.00 2.16 N ATOM 2252 NH2 ARG A 153 -0.227 6.454 9.028 1.00 1.85 N ATOM 0 H ARG A 153 -4.731 1.578 9.241 1.00 0.23 H new ATOM 0 HA ARG A 153 -3.531 0.844 6.655 1.00 0.24 H new ATOM 0 HB2 ARG A 153 -2.141 2.504 6.722 1.00 0.36 H new ATOM 0 HB3 ARG A 153 -2.769 3.069 8.258 1.00 0.36 H new ATOM 0 HG2 ARG A 153 -1.267 1.569 9.476 1.00 0.40 H new ATOM 0 HG3 ARG A 153 -0.702 0.862 7.975 1.00 0.40 H new ATOM 0 HD2 ARG A 153 0.761 2.664 9.056 1.00 0.47 H new ATOM 0 HD3 ARG A 153 0.454 2.791 7.335 1.00 0.47 H new ATOM 0 HE ARG A 153 -1.478 4.434 8.215 1.00 0.65 H new ATOM 0 HH11 ARG A 153 1.663 3.946 9.711 1.00 2.16 H new ATOM 0 HH12 ARG A 153 1.905 5.659 10.065 1.00 2.16 H new ATOM 0 HH21 ARG A 153 -1.126 6.679 8.602 1.00 1.85 H new ATOM 0 HH22 ARG A 153 0.340 7.194 9.442 1.00 1.85 H new ATOM 2266 N PHE A 154 -2.281 -0.995 7.910 1.00 0.24 N ATOM 2267 CA PHE A 154 -1.990 -2.254 8.535 1.00 0.22 C ATOM 2268 C PHE A 154 -0.490 -2.435 8.570 1.00 0.24 C ATOM 2269 O PHE A 154 0.198 -1.993 7.654 1.00 0.32 O ATOM 2270 CB PHE A 154 -2.626 -3.405 7.759 1.00 0.22 C ATOM 2271 CG PHE A 154 -4.124 -3.430 7.828 1.00 0.20 C ATOM 2272 CD1 PHE A 154 -4.768 -4.110 8.846 1.00 0.21 C ATOM 2273 CD2 PHE A 154 -4.887 -2.761 6.883 1.00 0.22 C ATOM 2274 CE1 PHE A 154 -6.143 -4.123 8.921 1.00 0.22 C ATOM 2275 CE2 PHE A 154 -6.266 -2.774 6.955 1.00 0.24 C ATOM 2276 CZ PHE A 154 -6.894 -3.495 7.935 1.00 0.22 C ATOM 0 H PHE A 154 -1.868 -0.869 6.986 1.00 0.24 H new ATOM 0 HA PHE A 154 -2.400 -2.258 9.545 1.00 0.22 H new ATOM 0 HB2 PHE A 154 -2.321 -3.338 6.715 1.00 0.22 H new ATOM 0 HB3 PHE A 154 -2.239 -4.348 8.144 1.00 0.22 H new ATOM 0 HD1 PHE A 154 -4.187 -4.636 9.589 1.00 0.21 H new ATOM 0 HD2 PHE A 154 -4.398 -2.225 6.083 1.00 0.22 H new ATOM 0 HE1 PHE A 154 -6.636 -4.620 9.744 1.00 0.22 H new ATOM 0 HE2 PHE A 154 -6.849 -2.215 6.238 1.00 0.24 H new ATOM 0 HZ PHE A 154 -7.971 -3.575 7.942 1.00 0.22 H new ATOM 2286 N SER A 155 0.024 -3.059 9.607 1.00 0.22 N ATOM 2287 CA SER A 155 1.439 -3.363 9.655 1.00 0.25 C ATOM 2288 C SER A 155 1.723 -4.491 8.665 1.00 0.22 C ATOM 2289 O SER A 155 0.813 -5.239 8.327 1.00 0.26 O ATOM 2290 CB SER A 155 1.847 -3.760 11.082 1.00 0.35 C ATOM 2291 OG SER A 155 3.255 -3.881 11.210 1.00 1.11 O ATOM 0 H SER A 155 -0.509 -3.364 10.421 1.00 0.22 H new ATOM 0 HA SER A 155 2.025 -2.486 9.379 1.00 0.25 H new ATOM 0 HB2 SER A 155 1.480 -3.014 11.786 1.00 0.35 H new ATOM 0 HB3 SER A 155 1.375 -4.706 11.346 1.00 0.35 H new ATOM 0 HG SER A 155 3.479 -4.133 12.130 1.00 1.11 H new ATOM 2297 N PRO A 156 2.949 -4.610 8.140 1.00 0.25 N ATOM 2298 CA PRO A 156 3.321 -5.730 7.274 1.00 0.29 C ATOM 2299 C PRO A 156 2.970 -7.060 7.918 1.00 0.39 C ATOM 2300 O PRO A 156 2.474 -7.974 7.263 1.00 0.78 O ATOM 2301 CB PRO A 156 4.841 -5.594 7.129 1.00 0.34 C ATOM 2302 CG PRO A 156 5.249 -4.576 8.141 1.00 0.36 C ATOM 2303 CD PRO A 156 4.059 -3.683 8.327 1.00 0.33 C ATOM 0 HA PRO A 156 2.796 -5.707 6.319 1.00 0.29 H new ATOM 0 HB2 PRO A 156 5.339 -6.547 7.308 1.00 0.34 H new ATOM 0 HB3 PRO A 156 5.112 -5.277 6.122 1.00 0.34 H new ATOM 0 HG2 PRO A 156 5.532 -5.051 9.081 1.00 0.36 H new ATOM 0 HG3 PRO A 156 6.114 -4.008 7.798 1.00 0.36 H new ATOM 0 HD2 PRO A 156 4.044 -3.224 9.316 1.00 0.33 H new ATOM 0 HD3 PRO A 156 4.040 -2.872 7.599 1.00 0.33 H new ATOM 2311 N GLY A 157 3.237 -7.134 9.216 1.00 0.36 N ATOM 2312 CA GLY A 157 2.894 -8.295 10.008 1.00 0.46 C ATOM 2313 C GLY A 157 1.408 -8.623 10.002 1.00 0.41 C ATOM 2314 O GLY A 157 1.025 -9.753 10.316 1.00 0.50 O ATOM 0 H GLY A 157 3.696 -6.390 9.742 1.00 0.36 H new ATOM 0 HA2 GLY A 157 3.448 -9.156 9.634 1.00 0.46 H new ATOM 0 HA3 GLY A 157 3.217 -8.131 11.036 1.00 0.46 H new ATOM 2318 N ALA A 158 0.562 -7.655 9.644 1.00 0.34 N ATOM 2319 CA ALA A 158 -0.866 -7.908 9.563 1.00 0.31 C ATOM 2320 C ALA A 158 -1.142 -8.805 8.371 1.00 0.34 C ATOM 2321 O ALA A 158 -0.585 -8.611 7.289 1.00 0.50 O ATOM 2322 CB ALA A 158 -1.648 -6.608 9.458 1.00 0.37 C ATOM 0 H ALA A 158 0.842 -6.703 9.410 1.00 0.34 H new ATOM 0 HA ALA A 158 -1.193 -8.408 10.475 1.00 0.31 H new ATOM 0 HB1 ALA A 158 -2.714 -6.828 9.399 1.00 0.37 H new ATOM 0 HB2 ALA A 158 -1.453 -5.994 10.337 1.00 0.37 H new ATOM 0 HB3 ALA A 158 -1.339 -6.069 8.563 1.00 0.37 H new ATOM 2328 N SER A 159 -1.992 -9.790 8.560 1.00 0.26 N ATOM 2329 CA SER A 159 -2.170 -10.807 7.572 1.00 0.30 C ATOM 2330 C SER A 159 -3.514 -10.660 6.888 1.00 0.23 C ATOM 2331 O SER A 159 -4.265 -9.720 7.166 1.00 0.22 O ATOM 2332 CB SER A 159 -2.024 -12.178 8.227 1.00 0.41 C ATOM 2333 OG SER A 159 -0.790 -12.261 8.923 1.00 1.42 O ATOM 0 H SER A 159 -2.568 -9.900 9.395 1.00 0.26 H new ATOM 0 HA SER A 159 -1.404 -10.704 6.803 1.00 0.30 H new ATOM 0 HB2 SER A 159 -2.851 -12.349 8.916 1.00 0.41 H new ATOM 0 HB3 SER A 159 -2.075 -12.959 7.468 1.00 0.41 H new ATOM 0 HG SER A 159 -0.709 -13.144 9.340 1.00 1.42 H new ATOM 2339 N VAL A 160 -3.780 -11.581 5.980 1.00 0.22 N ATOM 2340 CA VAL A 160 -5.001 -11.602 5.190 1.00 0.20 C ATOM 2341 C VAL A 160 -6.232 -11.337 6.061 1.00 0.21 C ATOM 2342 O VAL A 160 -7.028 -10.452 5.765 1.00 0.20 O ATOM 2343 CB VAL A 160 -5.136 -12.981 4.529 1.00 0.24 C ATOM 2344 CG1 VAL A 160 -6.350 -13.046 3.623 1.00 0.28 C ATOM 2345 CG2 VAL A 160 -3.879 -13.337 3.752 1.00 0.26 C ATOM 0 H VAL A 160 -3.144 -12.349 5.766 1.00 0.22 H new ATOM 0 HA VAL A 160 -4.943 -10.816 4.437 1.00 0.20 H new ATOM 0 HB VAL A 160 -5.270 -13.712 5.327 1.00 0.24 H new ATOM 0 HG11 VAL A 160 -6.415 -14.036 3.172 1.00 0.28 H new ATOM 0 HG12 VAL A 160 -7.250 -12.854 4.207 1.00 0.28 H new ATOM 0 HG13 VAL A 160 -6.259 -12.295 2.838 1.00 0.28 H new ATOM 0 HG21 VAL A 160 -4.000 -14.318 3.293 1.00 0.26 H new ATOM 0 HG22 VAL A 160 -3.708 -12.592 2.975 1.00 0.26 H new ATOM 0 HG23 VAL A 160 -3.026 -13.356 4.430 1.00 0.26 H new ATOM 2355 N LYS A 161 -6.339 -12.077 7.162 1.00 0.26 N ATOM 2356 CA LYS A 161 -7.492 -11.994 8.054 1.00 0.31 C ATOM 2357 C LYS A 161 -7.585 -10.623 8.707 1.00 0.26 C ATOM 2358 O LYS A 161 -8.671 -10.056 8.846 1.00 0.27 O ATOM 2359 CB LYS A 161 -7.381 -13.073 9.139 1.00 0.45 C ATOM 2360 CG LYS A 161 -8.270 -12.826 10.347 1.00 1.12 C ATOM 2361 CD LYS A 161 -7.921 -13.750 11.502 1.00 1.80 C ATOM 2362 CE LYS A 161 -8.504 -13.237 12.811 1.00 2.67 C ATOM 2363 NZ LYS A 161 -7.977 -11.888 13.157 1.00 3.46 N ATOM 0 H LYS A 161 -5.632 -12.749 7.460 1.00 0.26 H new ATOM 0 HA LYS A 161 -8.394 -12.153 7.462 1.00 0.31 H new ATOM 0 HB2 LYS A 161 -7.636 -14.039 8.704 1.00 0.45 H new ATOM 0 HB3 LYS A 161 -6.344 -13.136 9.470 1.00 0.45 H new ATOM 0 HG2 LYS A 161 -8.168 -11.789 10.667 1.00 1.12 H new ATOM 0 HG3 LYS A 161 -9.313 -12.972 10.067 1.00 1.12 H new ATOM 0 HD2 LYS A 161 -8.302 -14.751 11.299 1.00 1.80 H new ATOM 0 HD3 LYS A 161 -6.838 -13.833 11.591 1.00 1.80 H new ATOM 0 HE2 LYS A 161 -9.590 -13.194 12.734 1.00 2.67 H new ATOM 0 HE3 LYS A 161 -8.269 -13.936 13.613 1.00 2.67 H new ATOM 0 HZ1 LYS A 161 -8.111 -11.713 14.173 1.00 3.46 H new ATOM 0 HZ2 LYS A 161 -6.964 -11.842 12.928 1.00 3.46 H new ATOM 0 HZ3 LYS A 161 -8.488 -11.165 12.611 1.00 3.46 H new ATOM 2377 N ASP A 162 -6.433 -10.090 9.080 1.00 0.26 N ATOM 2378 CA ASP A 162 -6.371 -8.860 9.848 1.00 0.27 C ATOM 2379 C ASP A 162 -6.827 -7.702 8.990 1.00 0.22 C ATOM 2380 O ASP A 162 -7.531 -6.804 9.443 1.00 0.26 O ATOM 2381 CB ASP A 162 -4.944 -8.616 10.335 1.00 0.33 C ATOM 2382 CG ASP A 162 -4.417 -9.747 11.189 1.00 0.78 C ATOM 2383 OD1 ASP A 162 -4.877 -9.897 12.339 1.00 0.86 O ATOM 2384 OD2 ASP A 162 -3.531 -10.487 10.719 1.00 1.40 O ATOM 0 H ASP A 162 -5.523 -10.494 8.861 1.00 0.26 H new ATOM 0 HA ASP A 162 -7.027 -8.947 10.714 1.00 0.27 H new ATOM 0 HB2 ASP A 162 -4.289 -8.481 9.474 1.00 0.33 H new ATOM 0 HB3 ASP A 162 -4.914 -7.689 10.908 1.00 0.33 H new ATOM 2389 N ILE A 163 -6.420 -7.744 7.738 1.00 0.18 N ATOM 2390 CA ILE A 163 -6.820 -6.745 6.774 1.00 0.15 C ATOM 2391 C ILE A 163 -8.267 -6.961 6.339 1.00 0.14 C ATOM 2392 O ILE A 163 -9.044 -6.010 6.266 1.00 0.15 O ATOM 2393 CB ILE A 163 -5.885 -6.766 5.546 1.00 0.14 C ATOM 2394 CG1 ILE A 163 -4.520 -6.149 5.896 1.00 0.15 C ATOM 2395 CG2 ILE A 163 -6.524 -6.033 4.373 1.00 0.15 C ATOM 2396 CD1 ILE A 163 -3.502 -6.265 4.785 1.00 0.21 C ATOM 0 H ILE A 163 -5.806 -8.468 7.364 1.00 0.18 H new ATOM 0 HA ILE A 163 -6.744 -5.768 7.251 1.00 0.15 H new ATOM 0 HB ILE A 163 -5.725 -7.804 5.253 1.00 0.14 H new ATOM 0 HG12 ILE A 163 -4.659 -5.096 6.142 1.00 0.15 H new ATOM 0 HG13 ILE A 163 -4.128 -6.636 6.789 1.00 0.15 H new ATOM 0 HG21 ILE A 163 -5.850 -6.059 3.517 1.00 0.15 H new ATOM 0 HG22 ILE A 163 -7.464 -6.518 4.109 1.00 0.15 H new ATOM 0 HG23 ILE A 163 -6.716 -4.997 4.652 1.00 0.15 H new ATOM 0 HD11 ILE A 163 -2.564 -5.809 5.102 1.00 0.21 H new ATOM 0 HD12 ILE A 163 -3.334 -7.317 4.554 1.00 0.21 H new ATOM 0 HD13 ILE A 163 -3.873 -5.753 3.897 1.00 0.21 H new ATOM 2408 N GLU A 164 -8.630 -8.217 6.079 1.00 0.13 N ATOM 2409 CA GLU A 164 -9.970 -8.548 5.606 1.00 0.13 C ATOM 2410 C GLU A 164 -11.045 -8.049 6.552 1.00 0.15 C ATOM 2411 O GLU A 164 -12.080 -7.578 6.118 1.00 0.15 O ATOM 2412 CB GLU A 164 -10.162 -10.052 5.435 1.00 0.14 C ATOM 2413 CG GLU A 164 -9.593 -10.617 4.154 1.00 0.20 C ATOM 2414 CD GLU A 164 -10.028 -12.047 3.925 1.00 0.30 C ATOM 2415 OE1 GLU A 164 -11.171 -12.270 3.485 1.00 0.60 O ATOM 2416 OE2 GLU A 164 -9.223 -12.960 4.180 1.00 0.67 O ATOM 0 H GLU A 164 -8.012 -9.021 6.189 1.00 0.13 H new ATOM 0 HA GLU A 164 -10.067 -8.052 4.640 1.00 0.13 H new ATOM 0 HB2 GLU A 164 -9.699 -10.563 6.279 1.00 0.14 H new ATOM 0 HB3 GLU A 164 -11.228 -10.276 5.473 1.00 0.14 H new ATOM 0 HG2 GLU A 164 -9.912 -10.002 3.313 1.00 0.20 H new ATOM 0 HG3 GLU A 164 -8.505 -10.570 4.189 1.00 0.20 H new ATOM 2423 N GLU A 165 -10.811 -8.162 7.843 1.00 0.18 N ATOM 2424 CA GLU A 165 -11.822 -7.779 8.817 1.00 0.21 C ATOM 2425 C GLU A 165 -12.171 -6.296 8.699 1.00 0.21 C ATOM 2426 O GLU A 165 -13.262 -5.875 9.081 1.00 0.27 O ATOM 2427 CB GLU A 165 -11.367 -8.110 10.244 1.00 0.27 C ATOM 2428 CG GLU A 165 -10.262 -7.213 10.781 1.00 0.47 C ATOM 2429 CD GLU A 165 -9.963 -7.480 12.241 1.00 0.66 C ATOM 2430 OE1 GLU A 165 -9.226 -8.444 12.542 1.00 0.83 O ATOM 2431 OE2 GLU A 165 -10.480 -6.737 13.101 1.00 0.87 O ATOM 0 H GLU A 165 -9.940 -8.512 8.243 1.00 0.18 H new ATOM 0 HA GLU A 165 -12.720 -8.358 8.601 1.00 0.21 H new ATOM 0 HB2 GLU A 165 -12.227 -8.043 10.910 1.00 0.27 H new ATOM 0 HB3 GLU A 165 -11.023 -9.144 10.271 1.00 0.27 H new ATOM 0 HG2 GLU A 165 -9.356 -7.365 10.193 1.00 0.47 H new ATOM 0 HG3 GLU A 165 -10.552 -6.170 10.657 1.00 0.47 H new ATOM 2438 N LYS A 166 -11.251 -5.507 8.159 1.00 0.19 N ATOM 2439 CA LYS A 166 -11.518 -4.099 7.914 1.00 0.20 C ATOM 2440 C LYS A 166 -11.891 -3.892 6.449 1.00 0.19 C ATOM 2441 O LYS A 166 -12.455 -2.867 6.065 1.00 0.25 O ATOM 2442 CB LYS A 166 -10.305 -3.241 8.292 1.00 0.25 C ATOM 2443 CG LYS A 166 -9.725 -3.569 9.659 1.00 0.38 C ATOM 2444 CD LYS A 166 -10.718 -3.305 10.772 1.00 0.58 C ATOM 2445 CE LYS A 166 -10.086 -3.531 12.133 1.00 1.09 C ATOM 2446 NZ LYS A 166 -11.014 -3.184 13.238 1.00 1.71 N ATOM 0 H LYS A 166 -10.319 -5.817 7.884 1.00 0.19 H new ATOM 0 HA LYS A 166 -12.355 -3.786 8.538 1.00 0.20 H new ATOM 0 HB2 LYS A 166 -9.529 -3.372 7.537 1.00 0.25 H new ATOM 0 HB3 LYS A 166 -10.594 -2.190 8.273 1.00 0.25 H new ATOM 0 HG2 LYS A 166 -9.422 -4.616 9.683 1.00 0.38 H new ATOM 0 HG3 LYS A 166 -8.827 -2.974 9.825 1.00 0.38 H new ATOM 0 HD2 LYS A 166 -11.083 -2.280 10.703 1.00 0.58 H new ATOM 0 HD3 LYS A 166 -11.582 -3.959 10.656 1.00 0.58 H new ATOM 0 HE2 LYS A 166 -9.786 -4.575 12.225 1.00 1.09 H new ATOM 0 HE3 LYS A 166 -9.180 -2.930 12.217 1.00 1.09 H new ATOM 0 HZ1 LYS A 166 -10.545 -3.352 14.151 1.00 1.71 H new ATOM 0 HZ2 LYS A 166 -11.281 -2.181 13.165 1.00 1.71 H new ATOM 0 HZ3 LYS A 166 -11.867 -3.775 13.173 1.00 1.71 H new ATOM 2460 N LEU A 167 -11.609 -4.905 5.652 1.00 0.15 N ATOM 2461 CA LEU A 167 -11.781 -4.851 4.211 1.00 0.15 C ATOM 2462 C LEU A 167 -13.148 -5.372 3.768 1.00 0.15 C ATOM 2463 O LEU A 167 -13.867 -4.710 3.019 1.00 0.16 O ATOM 2464 CB LEU A 167 -10.695 -5.702 3.559 1.00 0.13 C ATOM 2465 CG LEU A 167 -10.978 -6.089 2.117 1.00 0.14 C ATOM 2466 CD1 LEU A 167 -10.770 -4.899 1.201 1.00 0.16 C ATOM 2467 CD2 LEU A 167 -10.121 -7.266 1.693 1.00 0.16 C ATOM 0 H LEU A 167 -11.250 -5.798 5.989 1.00 0.15 H new ATOM 0 HA LEU A 167 -11.709 -3.808 3.904 1.00 0.15 H new ATOM 0 HB2 LEU A 167 -9.752 -5.157 3.597 1.00 0.13 H new ATOM 0 HB3 LEU A 167 -10.562 -6.611 4.146 1.00 0.13 H new ATOM 0 HG LEU A 167 -12.020 -6.398 2.041 1.00 0.14 H new ATOM 0 HD11 LEU A 167 -10.976 -5.192 0.172 1.00 0.16 H new ATOM 0 HD12 LEU A 167 -11.445 -4.094 1.492 1.00 0.16 H new ATOM 0 HD13 LEU A 167 -9.739 -4.555 1.280 1.00 0.16 H new ATOM 0 HD21 LEU A 167 -10.343 -7.523 0.657 1.00 0.16 H new ATOM 0 HD22 LEU A 167 -9.068 -7.000 1.783 1.00 0.16 H new ATOM 0 HD23 LEU A 167 -10.336 -8.122 2.333 1.00 0.16 H new ATOM 2479 N ILE A 168 -13.481 -6.568 4.231 1.00 0.16 N ATOM 2480 CA ILE A 168 -14.657 -7.299 3.775 1.00 0.19 C ATOM 2481 C ILE A 168 -15.948 -6.474 3.872 1.00 0.22 C ATOM 2482 O ILE A 168 -16.706 -6.426 2.907 1.00 0.25 O ATOM 2483 CB ILE A 168 -14.823 -8.633 4.533 1.00 0.20 C ATOM 2484 CG1 ILE A 168 -13.576 -9.507 4.350 1.00 0.19 C ATOM 2485 CG2 ILE A 168 -16.061 -9.371 4.047 1.00 0.26 C ATOM 2486 CD1 ILE A 168 -13.591 -10.768 5.189 1.00 0.24 C ATOM 0 H ILE A 168 -12.939 -7.063 4.939 1.00 0.16 H new ATOM 0 HA ILE A 168 -14.484 -7.511 2.720 1.00 0.19 H new ATOM 0 HB ILE A 168 -14.945 -8.415 5.594 1.00 0.20 H new ATOM 0 HG12 ILE A 168 -13.486 -9.781 3.299 1.00 0.19 H new ATOM 0 HG13 ILE A 168 -12.692 -8.922 4.604 1.00 0.19 H new ATOM 0 HG21 ILE A 168 -16.163 -10.309 4.592 1.00 0.26 H new ATOM 0 HG22 ILE A 168 -16.943 -8.754 4.219 1.00 0.26 H new ATOM 0 HG23 ILE A 168 -15.966 -9.579 2.981 1.00 0.26 H new ATOM 0 HD11 ILE A 168 -12.679 -11.336 5.008 1.00 0.24 H new ATOM 0 HD12 ILE A 168 -13.650 -10.502 6.244 1.00 0.24 H new ATOM 0 HD13 ILE A 168 -14.456 -11.374 4.919 1.00 0.24 H new ATOM 2498 N PRO A 169 -16.233 -5.815 5.023 1.00 0.24 N ATOM 2499 CA PRO A 169 -17.411 -4.942 5.150 1.00 0.29 C ATOM 2500 C PRO A 169 -17.480 -3.894 4.038 1.00 0.29 C ATOM 2501 O PRO A 169 -18.563 -3.521 3.573 1.00 0.41 O ATOM 2502 CB PRO A 169 -17.210 -4.265 6.507 1.00 0.34 C ATOM 2503 CG PRO A 169 -16.377 -5.223 7.286 1.00 0.40 C ATOM 2504 CD PRO A 169 -15.469 -5.887 6.289 1.00 0.24 C ATOM 0 HA PRO A 169 -18.342 -5.503 5.073 1.00 0.29 H new ATOM 0 HB2 PRO A 169 -16.711 -3.302 6.399 1.00 0.34 H new ATOM 0 HB3 PRO A 169 -18.163 -4.076 7.001 1.00 0.34 H new ATOM 0 HG2 PRO A 169 -15.802 -4.705 8.054 1.00 0.40 H new ATOM 0 HG3 PRO A 169 -17.000 -5.957 7.796 1.00 0.40 H new ATOM 0 HD2 PRO A 169 -14.513 -5.370 6.211 1.00 0.24 H new ATOM 0 HD3 PRO A 169 -15.252 -6.918 6.568 1.00 0.24 H new ATOM 2512 N LEU A 170 -16.315 -3.430 3.602 1.00 0.22 N ATOM 2513 CA LEU A 170 -16.238 -2.458 2.530 1.00 0.22 C ATOM 2514 C LEU A 170 -16.463 -3.128 1.174 1.00 0.20 C ATOM 2515 O LEU A 170 -17.235 -2.629 0.366 1.00 0.23 O ATOM 2516 CB LEU A 170 -14.899 -1.720 2.553 1.00 0.24 C ATOM 2517 CG LEU A 170 -14.646 -0.833 3.768 1.00 0.33 C ATOM 2518 CD1 LEU A 170 -13.262 -0.216 3.674 1.00 0.71 C ATOM 2519 CD2 LEU A 170 -15.707 0.253 3.864 1.00 0.69 C ATOM 0 H LEU A 170 -15.411 -3.715 3.979 1.00 0.22 H new ATOM 0 HA LEU A 170 -17.029 -1.724 2.685 1.00 0.22 H new ATOM 0 HB2 LEU A 170 -14.099 -2.458 2.493 1.00 0.24 H new ATOM 0 HB3 LEU A 170 -14.831 -1.103 1.657 1.00 0.24 H new ATOM 0 HG LEU A 170 -14.701 -1.444 4.669 1.00 0.33 H new ATOM 0 HD11 LEU A 170 -13.086 0.417 4.544 1.00 0.71 H new ATOM 0 HD12 LEU A 170 -12.512 -1.007 3.643 1.00 0.71 H new ATOM 0 HD13 LEU A 170 -13.193 0.386 2.768 1.00 0.71 H new ATOM 0 HD21 LEU A 170 -15.511 0.877 4.736 1.00 0.69 H new ATOM 0 HD22 LEU A 170 -15.680 0.868 2.965 1.00 0.69 H new ATOM 0 HD23 LEU A 170 -16.691 -0.207 3.960 1.00 0.69 H new ATOM 2531 N LEU A 171 -15.799 -4.257 0.930 1.00 0.18 N ATOM 2532 CA LEU A 171 -15.985 -4.999 -0.327 1.00 0.20 C ATOM 2533 C LEU A 171 -17.425 -5.386 -0.497 1.00 0.27 C ATOM 2534 O LEU A 171 -18.068 -5.063 -1.498 1.00 0.34 O ATOM 2535 CB LEU A 171 -15.158 -6.278 -0.339 1.00 0.26 C ATOM 2536 CG LEU A 171 -13.668 -6.065 -0.330 1.00 0.17 C ATOM 2537 CD1 LEU A 171 -12.945 -7.394 -0.309 1.00 0.26 C ATOM 2538 CD2 LEU A 171 -13.251 -5.253 -1.540 1.00 0.31 C ATOM 0 H LEU A 171 -15.132 -4.679 1.576 1.00 0.18 H new ATOM 0 HA LEU A 171 -15.664 -4.344 -1.137 1.00 0.20 H new ATOM 0 HB2 LEU A 171 -15.430 -6.879 0.529 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -15.423 -6.857 -1.223 1.00 0.26 H new ATOM 0 HG LEU A 171 -13.398 -5.513 0.571 1.00 0.17 H new ATOM 0 HD11 LEU A 171 -11.869 -7.223 -0.303 1.00 0.26 H new ATOM 0 HD12 LEU A 171 -13.229 -7.949 0.585 1.00 0.26 H new ATOM 0 HD13 LEU A 171 -13.216 -7.969 -1.194 1.00 0.26 H new ATOM 0 HD21 LEU A 171 -12.171 -5.104 -1.524 1.00 0.31 H new ATOM 0 HD22 LEU A 171 -13.531 -5.785 -2.449 1.00 0.31 H new ATOM 0 HD23 LEU A 171 -13.751 -4.285 -1.518 1.00 0.31 H new ATOM 2550 N GLY A 172 -17.904 -6.095 0.504 1.00 0.29 N ATOM 2551 CA GLY A 172 -19.266 -6.552 0.538 1.00 0.39 C ATOM 2552 C GLY A 172 -20.267 -5.446 0.240 1.00 0.66 C ATOM 2553 O GLY A 172 -21.316 -5.694 -0.358 1.00 1.12 O ATOM 0 H GLY A 172 -17.352 -6.368 1.317 1.00 0.29 H new ATOM 0 HA2 GLY A 172 -19.393 -7.356 -0.187 1.00 0.39 H new ATOM 0 HA3 GLY A 172 -19.479 -6.973 1.521 1.00 0.39 H new ATOM 2557 N SER A 173 -19.934 -4.230 0.668 1.00 0.85 N ATOM 2558 CA SER A 173 -20.709 -3.036 0.340 1.00 1.33 C ATOM 2559 C SER A 173 -22.161 -3.146 0.798 1.00 1.84 C ATOM 2560 O SER A 173 -23.084 -2.877 0.030 1.00 2.43 O ATOM 2561 CB SER A 173 -20.649 -2.760 -1.166 1.00 2.03 C ATOM 2562 OG SER A 173 -19.308 -2.638 -1.610 1.00 2.64 O ATOM 0 H SER A 173 -19.119 -4.045 1.252 1.00 0.85 H new ATOM 0 HA SER A 173 -20.260 -2.202 0.879 1.00 1.33 H new ATOM 0 HB2 SER A 173 -21.142 -3.568 -1.707 1.00 2.03 H new ATOM 0 HB3 SER A 173 -21.195 -1.844 -1.393 1.00 2.03 H new ATOM 0 HG SER A 173 -18.917 -3.530 -1.718 1.00 2.64 H new ATOM 2568 N ALA A 174 -22.359 -3.555 2.041 1.00 2.40 N ATOM 2569 CA ALA A 174 -23.686 -3.535 2.631 1.00 3.35 C ATOM 2570 C ALA A 174 -24.054 -2.103 2.998 1.00 3.69 C ATOM 2571 O ALA A 174 -25.203 -1.686 2.863 1.00 4.35 O ATOM 2572 CB ALA A 174 -23.745 -4.447 3.846 1.00 4.30 C ATOM 0 H ALA A 174 -21.623 -3.902 2.656 1.00 2.40 H new ATOM 0 HA ALA A 174 -24.410 -3.908 1.906 1.00 3.35 H new ATOM 0 HB1 ALA A 174 -24.747 -4.418 4.274 1.00 4.30 H new ATOM 0 HB2 ALA A 174 -23.507 -5.468 3.547 1.00 4.30 H new ATOM 0 HB3 ALA A 174 -23.023 -4.110 4.590 1.00 4.30 H new ATOM 2578 N ARG A 175 -23.033 -1.364 3.446 1.00 3.66 N ATOM 2579 CA ARG A 175 -23.128 0.068 3.755 1.00 4.44 C ATOM 2580 C ARG A 175 -24.003 0.340 4.975 1.00 4.81 C ATOM 2581 O ARG A 175 -23.512 0.814 5.998 1.00 5.15 O ATOM 2582 CB ARG A 175 -23.618 0.877 2.547 1.00 5.16 C ATOM 2583 CG ARG A 175 -22.684 0.790 1.352 1.00 5.82 C ATOM 2584 CD ARG A 175 -22.917 1.925 0.369 1.00 6.62 C ATOM 2585 NE ARG A 175 -24.264 1.916 -0.195 1.00 7.03 N ATOM 2586 CZ ARG A 175 -24.824 2.965 -0.799 1.00 7.84 C ATOM 2587 NH1 ARG A 175 -24.126 4.082 -0.978 1.00 8.30 N ATOM 2588 NH2 ARG A 175 -26.073 2.888 -1.246 1.00 8.45 N ATOM 0 H ARG A 175 -22.103 -1.750 3.607 1.00 3.66 H new ATOM 0 HA ARG A 175 -22.117 0.397 3.997 1.00 4.44 H new ATOM 0 HB2 ARG A 175 -24.606 0.520 2.255 1.00 5.16 H new ATOM 0 HB3 ARG A 175 -23.729 1.922 2.838 1.00 5.16 H new ATOM 0 HG2 ARG A 175 -21.650 0.814 1.696 1.00 5.82 H new ATOM 0 HG3 ARG A 175 -22.829 -0.164 0.846 1.00 5.82 H new ATOM 0 HD2 ARG A 175 -22.745 2.877 0.872 1.00 6.62 H new ATOM 0 HD3 ARG A 175 -22.189 1.855 -0.439 1.00 6.62 H new ATOM 0 HE ARG A 175 -24.809 1.057 -0.123 1.00 7.03 H new ATOM 0 HH11 ARG A 175 -23.161 4.138 -0.653 1.00 8.30 H new ATOM 0 HH12 ARG A 175 -24.556 4.883 -1.440 1.00 8.30 H new ATOM 0 HH21 ARG A 175 -26.605 2.026 -1.127 1.00 8.45 H new ATOM 0 HH22 ARG A 175 -26.500 3.691 -1.708 1.00 8.45 H new ATOM 2602 N LEU A 176 -25.286 0.046 4.866 1.00 5.22 N ATOM 2603 CA LEU A 176 -26.216 0.265 5.959 1.00 6.05 C ATOM 2604 C LEU A 176 -26.774 -1.065 6.444 1.00 6.72 C ATOM 2605 O LEU A 176 -27.885 -1.443 6.015 1.00 7.14 O ATOM 2606 CB LEU A 176 -27.354 1.187 5.513 1.00 6.60 C ATOM 2607 CG LEU A 176 -26.925 2.585 5.062 1.00 7.19 C ATOM 2608 CD1 LEU A 176 -28.123 3.368 4.550 1.00 7.69 C ATOM 2609 CD2 LEU A 176 -26.248 3.332 6.203 1.00 7.60 C ATOM 2610 OXT LEU A 176 -26.086 -1.745 7.231 1.00 7.13 O ATOM 0 H LEU A 176 -25.710 -0.348 4.026 1.00 5.22 H new ATOM 0 HA LEU A 176 -25.684 0.744 6.781 1.00 6.05 H new ATOM 0 HB2 LEU A 176 -27.888 0.707 4.693 1.00 6.60 H new ATOM 0 HB3 LEU A 176 -28.060 1.290 6.337 1.00 6.60 H new ATOM 0 HG LEU A 176 -26.207 2.479 4.248 1.00 7.19 H new ATOM 0 HD11 LEU A 176 -27.801 4.360 4.233 1.00 7.69 H new ATOM 0 HD12 LEU A 176 -28.566 2.843 3.704 1.00 7.69 H new ATOM 0 HD13 LEU A 176 -28.862 3.463 5.345 1.00 7.69 H new ATOM 0 HD21 LEU A 176 -25.950 4.324 5.863 1.00 7.60 H new ATOM 0 HD22 LEU A 176 -26.942 3.428 7.038 1.00 7.60 H new ATOM 0 HD23 LEU A 176 -25.366 2.780 6.527 1.00 7.60 H new TER 2622 LEU A 176