USER MOD reduce.3.24.130724 H: found=0, std=0, add=1309, rem=0, adj=49 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 60 GLN : amide:sc= -3.02! C(o=-2.1!,f=-2.3!) USER MOD Set 1.2: A 164 HIS : no HE2:sc= 0.925 K(o=-2.1,f=-11!) USER MOD Set 2.1: A 107 THR OG1 : rot 123:sc= 0.856 USER MOD Set 2.2: A 110 ASN :FLIP amide:sc= -0.491 F(o=-0.44,f=0.36) USER MOD Set 3.1: A 103 GLN : amide:sc= -1.14! K(o=-0.29!,f=-2.6) USER MOD Set 3.2: A 115 ASN : amide:sc= 0.943 K(o=-0.29,f=-2.6) USER MOD Set 3.3: A 146 GLN : amide:sc= -0.0928 K(o=-0.29,f=-2.6) USER MOD Set 4.1: A 34 GLN : amide:sc= 1.41 K(o=1,f=-5.9!) USER MOD Set 4.2: A 53 THR OG1 : rot 130:sc= -0.405 USER MOD Set 5.1: A 30 LYS NZ :NH3+ 141:sc= 1.09 (180deg=0) USER MOD Set 5.2: A 33 GLN : amide:sc= 0.635 K(o=1.7,f=-8.5!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0593 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.658 (180deg=-0.0342!) USER MOD Single : A 3 GLN : amide:sc= -0.0743 K(o=-0.074,f=-3.6!) USER MOD Single : A 4 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 5 SER OG : rot 45:sc= 0.32 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0148 (180deg=-0.154) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 43:sc= 0.452 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 159:sc= -0.101 (180deg=-0.626) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.058) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.41 F(o=-2,f=-1.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.489 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.764 F(o=-2.6!,f=-0.76) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.113) USER MOD Single : A 41 SER OG : rot 160:sc= -0.0569 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 130:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= -0.0384 (180deg=-0.233) USER MOD Single : A 59 SER OG : rot -74:sc= 1.07 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 66 MET CE :methyl -153:sc= -0.0121 (180deg=-0.378) USER MOD Single : A 67 SER OG : rot 170:sc= -0.726 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0113 F(o=-1.7!,f=-0.011) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 71:sc= -0.0698 USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.0381 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.465 K(o=-0.46,f=-5.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.0016) USER MOD Single : A 96 SER OG : rot 180:sc= -0.773 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.747 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.485 F(o=-2,f=-0.48) USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.801 F(o=-1.6,f=-0.8) USER MOD Single : A 118 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 119 GLN :FLIP amide:sc= 0.217 F(o=-1.6!,f=0.22) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 140:sc= -0.0262 USER MOD Single : A 131 SER OG : rot 100:sc= -0.748 USER MOD Single : A 138 GLN : amide:sc= 0.557 K(o=0.56,f=-0.68) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 153 HIS : +bothHN:sc= 0.0401 K(o=0.04,f=-4.8!) USER MOD Single : A 156 GLN : amide:sc= 0.00187 X(o=0.0019,f=0) USER MOD Single : A 159 MET CE :methyl 156:sc= -0.233 (180deg=-0.983) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 HIS :FLIP no HE2:sc= 0.0978 F(o=-0.72,f=0.098) USER MOD Single : A 165 HIS : +bothHN:sc= 0.0138 K(o=0.014,f=-4.7!) USER MOD Single : A 166 HIS : no HE2:sc=-0.00238 K(o=-0.0024,f=-1.4) USER MOD Single : A 167 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 168 HIS : no HD1:sc= 0.399 K(o=0.4,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.462 -43.113 -22.901 1.00 23.12 N ATOM 2 CA MET A 1 40.517 -44.102 -22.313 1.00 53.43 C ATOM 3 C MET A 1 39.767 -43.516 -21.106 1.00 10.34 C ATOM 4 O MET A 1 40.373 -43.206 -20.078 1.00 71.20 O ATOM 5 CB MET A 1 41.265 -45.376 -21.890 1.00 3.43 C ATOM 6 CG MET A 1 42.003 -46.058 -23.032 1.00 55.34 C ATOM 7 SD MET A 1 43.352 -45.051 -23.684 1.00 33.43 S ATOM 8 CE MET A 1 44.491 -45.054 -22.299 1.00 25.34 C ATOM 0 H1 MET A 1 42.252 -43.615 -23.354 1.00 23.12 H new ATOM 0 H2 MET A 1 40.965 -42.537 -23.611 1.00 23.12 H new ATOM 0 H3 MET A 1 41.830 -42.495 -22.150 1.00 23.12 H new ATOM 0 HA MET A 1 39.786 -44.352 -23.082 1.00 53.43 H new ATOM 0 HB2 MET A 1 41.979 -45.124 -21.106 1.00 3.43 H new ATOM 0 HB3 MET A 1 40.553 -46.079 -21.458 1.00 3.43 H new ATOM 0 HG2 MET A 1 42.401 -47.012 -22.685 1.00 55.34 H new ATOM 0 HG3 MET A 1 41.299 -46.279 -23.834 1.00 55.34 H new ATOM 0 HE1 MET A 1 45.483 -44.760 -22.643 1.00 25.34 H new ATOM 0 HE2 MET A 1 44.145 -44.350 -21.542 1.00 25.34 H new ATOM 0 HE3 MET A 1 44.538 -46.054 -21.869 1.00 25.34 H new ATOM 20 N VAL A 2 38.452 -43.362 -21.234 1.00 71.12 N ATOM 21 CA VAL A 2 37.614 -42.851 -20.140 1.00 21.35 C ATOM 22 C VAL A 2 37.034 -44.009 -19.310 1.00 15.23 C ATOM 23 O VAL A 2 36.751 -45.082 -19.842 1.00 74.22 O ATOM 24 CB VAL A 2 36.462 -41.967 -20.684 1.00 64.40 C ATOM 25 CG1 VAL A 2 35.688 -41.309 -19.540 1.00 2.12 C ATOM 26 CG2 VAL A 2 37.001 -40.912 -21.656 1.00 54.25 C ATOM 0 H VAL A 2 37.937 -43.583 -22.086 1.00 71.12 H new ATOM 0 HA VAL A 2 38.248 -42.239 -19.499 1.00 21.35 H new ATOM 0 HB VAL A 2 35.771 -42.611 -21.229 1.00 64.40 H new ATOM 0 HG11 VAL A 2 34.886 -40.695 -19.949 1.00 2.12 H new ATOM 0 HG12 VAL A 2 35.263 -42.080 -18.898 1.00 2.12 H new ATOM 0 HG13 VAL A 2 36.363 -40.683 -18.957 1.00 2.12 H new ATOM 0 HG21 VAL A 2 36.176 -40.303 -22.026 1.00 54.25 H new ATOM 0 HG22 VAL A 2 37.720 -40.275 -21.140 1.00 54.25 H new ATOM 0 HG23 VAL A 2 37.491 -41.407 -22.495 1.00 54.25 H new ATOM 36 N GLN A 3 36.851 -43.788 -18.011 1.00 60.22 N ATOM 37 CA GLN A 3 36.410 -44.855 -17.098 1.00 61.01 C ATOM 38 C GLN A 3 35.137 -44.468 -16.327 1.00 44.22 C ATOM 39 O GLN A 3 34.792 -43.290 -16.216 1.00 22.12 O ATOM 40 CB GLN A 3 37.526 -45.197 -16.093 1.00 70.34 C ATOM 41 CG GLN A 3 37.803 -44.102 -15.060 1.00 55.33 C ATOM 42 CD GLN A 3 38.403 -42.843 -15.668 1.00 12.44 C ATOM 43 OE1 GLN A 3 37.689 -41.948 -16.109 1.00 72.21 O ATOM 44 NE2 GLN A 3 39.716 -42.756 -15.677 1.00 11.22 N ATOM 0 H GLN A 3 36.999 -42.884 -17.562 1.00 60.22 H new ATOM 0 HA GLN A 3 36.183 -45.726 -17.714 1.00 61.01 H new ATOM 0 HB2 GLN A 3 37.258 -46.115 -15.569 1.00 70.34 H new ATOM 0 HB3 GLN A 3 38.444 -45.401 -16.644 1.00 70.34 H new ATOM 0 HG2 GLN A 3 36.873 -43.845 -14.554 1.00 55.33 H new ATOM 0 HG3 GLN A 3 38.482 -44.491 -14.301 1.00 55.33 H new ATOM 0 HE21 GLN A 3 40.280 -43.519 -15.302 1.00 11.22 H new ATOM 0 HE22 GLN A 3 40.170 -41.926 -16.059 1.00 11.22 H new ATOM 53 N GLN A 4 34.449 -45.476 -15.787 1.00 52.44 N ATOM 54 CA GLN A 4 33.278 -45.249 -14.929 1.00 55.42 C ATOM 55 C GLN A 4 33.714 -44.904 -13.492 1.00 70.44 C ATOM 56 O GLN A 4 34.593 -45.560 -12.930 1.00 35.54 O ATOM 57 CB GLN A 4 32.378 -46.496 -14.911 1.00 21.03 C ATOM 58 CG GLN A 4 31.876 -46.927 -16.289 1.00 31.45 C ATOM 59 CD GLN A 4 31.039 -45.860 -16.978 1.00 5.12 C ATOM 60 OE1 GLN A 4 29.826 -45.792 -16.805 1.00 14.24 O ATOM 61 NE2 GLN A 4 31.673 -45.024 -17.774 1.00 35.40 N ATOM 0 H GLN A 4 34.681 -46.459 -15.927 1.00 52.44 H new ATOM 0 HA GLN A 4 32.717 -44.408 -15.338 1.00 55.42 H new ATOM 0 HB2 GLN A 4 32.930 -47.322 -14.463 1.00 21.03 H new ATOM 0 HB3 GLN A 4 31.519 -46.301 -14.269 1.00 21.03 H new ATOM 0 HG2 GLN A 4 32.730 -47.174 -16.920 1.00 31.45 H new ATOM 0 HG3 GLN A 4 31.283 -47.836 -16.185 1.00 31.45 H new ATOM 0 HE21 GLN A 4 32.682 -45.104 -17.899 1.00 35.40 H new ATOM 0 HE22 GLN A 4 31.155 -44.296 -18.266 1.00 35.40 H new ATOM 70 N SER A 5 33.105 -43.875 -12.906 1.00 63.31 N ATOM 71 CA SER A 5 33.446 -43.446 -11.539 1.00 74.30 C ATOM 72 C SER A 5 32.479 -44.040 -10.503 1.00 70.25 C ATOM 73 O SER A 5 31.378 -43.529 -10.286 1.00 51.43 O ATOM 74 CB SER A 5 33.459 -41.911 -11.447 1.00 34.04 C ATOM 75 OG SER A 5 32.236 -41.347 -11.901 1.00 13.31 O ATOM 0 H SER A 5 32.374 -43.320 -13.350 1.00 63.31 H new ATOM 0 HA SER A 5 34.444 -43.821 -11.312 1.00 74.30 H new ATOM 0 HB2 SER A 5 33.638 -41.610 -10.415 1.00 34.04 H new ATOM 0 HB3 SER A 5 34.284 -41.518 -12.041 1.00 34.04 H new ATOM 0 HG SER A 5 31.484 -41.850 -11.525 1.00 13.31 H new ATOM 81 N GLU A 6 32.897 -45.131 -9.867 1.00 4.30 N ATOM 82 CA GLU A 6 32.066 -45.821 -8.875 1.00 72.10 C ATOM 83 C GLU A 6 32.339 -45.290 -7.459 1.00 12.24 C ATOM 84 O GLU A 6 33.366 -45.604 -6.851 1.00 31.40 O ATOM 85 CB GLU A 6 32.321 -47.332 -8.935 1.00 51.33 C ATOM 86 CG GLU A 6 32.025 -47.943 -10.301 1.00 54.04 C ATOM 87 CD GLU A 6 32.284 -49.438 -10.344 1.00 62.52 C ATOM 88 OE1 GLU A 6 31.404 -50.212 -9.915 1.00 52.04 O ATOM 89 OE2 GLU A 6 33.367 -49.851 -10.810 1.00 2.30 O ATOM 0 H GLU A 6 33.810 -45.561 -10.019 1.00 4.30 H new ATOM 0 HA GLU A 6 31.020 -45.627 -9.112 1.00 72.10 H new ATOM 0 HB2 GLU A 6 33.361 -47.528 -8.675 1.00 51.33 H new ATOM 0 HB3 GLU A 6 31.706 -47.827 -8.183 1.00 51.33 H new ATOM 0 HG2 GLU A 6 30.984 -47.751 -10.562 1.00 54.04 H new ATOM 0 HG3 GLU A 6 32.639 -47.450 -11.055 1.00 54.04 H new ATOM 96 N VAL A 7 31.416 -44.486 -6.940 1.00 30.21 N ATOM 97 CA VAL A 7 31.588 -43.841 -5.629 1.00 21.24 C ATOM 98 C VAL A 7 30.527 -44.290 -4.605 1.00 2.55 C ATOM 99 O VAL A 7 29.608 -45.049 -4.923 1.00 44.42 O ATOM 100 CB VAL A 7 31.549 -42.297 -5.767 1.00 13.41 C ATOM 101 CG1 VAL A 7 32.700 -41.802 -6.644 1.00 33.30 C ATOM 102 CG2 VAL A 7 30.200 -41.838 -6.325 1.00 14.33 C ATOM 0 H VAL A 7 30.536 -44.261 -7.404 1.00 30.21 H new ATOM 0 HA VAL A 7 32.564 -44.154 -5.258 1.00 21.24 H new ATOM 0 HB VAL A 7 31.670 -41.862 -4.775 1.00 13.41 H new ATOM 0 HG11 VAL A 7 32.653 -40.716 -6.727 1.00 33.30 H new ATOM 0 HG12 VAL A 7 33.650 -42.091 -6.195 1.00 33.30 H new ATOM 0 HG13 VAL A 7 32.618 -42.246 -7.636 1.00 33.30 H new ATOM 0 HG21 VAL A 7 30.194 -40.752 -6.414 1.00 14.33 H new ATOM 0 HG22 VAL A 7 30.042 -42.283 -7.307 1.00 14.33 H new ATOM 0 HG23 VAL A 7 29.402 -42.152 -5.652 1.00 14.33 H new ATOM 112 N ARG A 8 30.667 -43.805 -3.370 1.00 4.41 N ATOM 113 CA ARG A 8 29.754 -44.144 -2.271 1.00 73.31 C ATOM 114 C ARG A 8 29.053 -42.886 -1.731 1.00 42.43 C ATOM 115 O ARG A 8 29.615 -41.790 -1.767 1.00 53.44 O ATOM 116 CB ARG A 8 30.542 -44.827 -1.145 1.00 14.41 C ATOM 117 CG ARG A 8 31.126 -46.184 -1.539 1.00 24.33 C ATOM 118 CD ARG A 8 32.244 -46.611 -0.595 1.00 64.15 C ATOM 119 NE ARG A 8 33.416 -45.750 -0.725 1.00 44.03 N ATOM 120 CZ ARG A 8 34.437 -45.755 0.085 1.00 31.12 C ATOM 121 NH1 ARG A 8 34.475 -46.543 1.108 1.00 5.00 N ATOM 122 NH2 ARG A 8 35.426 -44.956 -0.135 1.00 54.02 N ATOM 0 H ARG A 8 31.415 -43.166 -3.101 1.00 4.41 H new ATOM 0 HA ARG A 8 28.990 -44.823 -2.649 1.00 73.31 H new ATOM 0 HB2 ARG A 8 31.353 -44.170 -0.831 1.00 14.41 H new ATOM 0 HB3 ARG A 8 29.887 -44.959 -0.284 1.00 14.41 H new ATOM 0 HG2 ARG A 8 30.337 -46.936 -1.532 1.00 24.33 H new ATOM 0 HG3 ARG A 8 31.509 -46.133 -2.558 1.00 24.33 H new ATOM 0 HD2 ARG A 8 31.883 -46.583 0.433 1.00 64.15 H new ATOM 0 HD3 ARG A 8 32.525 -47.643 -0.806 1.00 64.15 H new ATOM 0 HE ARG A 8 33.437 -45.096 -1.508 1.00 44.03 H new ATOM 0 HH11 ARG A 8 33.697 -47.176 1.293 1.00 5.00 H new ATOM 0 HH12 ARG A 8 35.283 -46.532 1.730 1.00 5.00 H new ATOM 0 HH21 ARG A 8 35.405 -44.327 -0.938 1.00 54.02 H new ATOM 0 HH22 ARG A 8 36.229 -44.953 0.494 1.00 54.02 H new ATOM 136 N GLN A 9 27.829 -43.048 -1.225 1.00 60.45 N ATOM 137 CA GLN A 9 27.045 -41.920 -0.707 1.00 35.24 C ATOM 138 C GLN A 9 26.243 -42.313 0.547 1.00 54.24 C ATOM 139 O GLN A 9 25.606 -43.367 0.584 1.00 22.01 O ATOM 140 CB GLN A 9 26.086 -41.394 -1.788 1.00 71.21 C ATOM 141 CG GLN A 9 25.249 -40.197 -1.341 1.00 14.34 C ATOM 142 CD GLN A 9 24.264 -39.731 -2.403 1.00 65.24 C ATOM 143 OE1 GLN A 9 24.503 -39.868 -3.599 1.00 1.12 O ATOM 144 NE2 GLN A 9 23.149 -39.171 -1.979 1.00 34.22 N ATOM 0 H GLN A 9 27.357 -43.950 -1.162 1.00 60.45 H new ATOM 0 HA GLN A 9 27.748 -41.135 -0.429 1.00 35.24 H new ATOM 0 HB2 GLN A 9 26.665 -41.112 -2.668 1.00 71.21 H new ATOM 0 HB3 GLN A 9 25.418 -42.200 -2.091 1.00 71.21 H new ATOM 0 HG2 GLN A 9 24.701 -40.461 -0.436 1.00 14.34 H new ATOM 0 HG3 GLN A 9 25.913 -39.372 -1.082 1.00 14.34 H new ATOM 0 HE21 GLN A 9 22.977 -39.070 -0.979 1.00 34.22 H new ATOM 0 HE22 GLN A 9 22.458 -38.838 -2.651 1.00 34.22 H new ATOM 153 N MET A 10 26.284 -41.458 1.571 1.00 65.20 N ATOM 154 CA MET A 10 25.486 -41.651 2.795 1.00 32.23 C ATOM 155 C MET A 10 24.366 -40.600 2.904 1.00 44.04 C ATOM 156 O MET A 10 24.133 -39.828 1.974 1.00 50.34 O ATOM 157 CB MET A 10 26.383 -41.582 4.040 1.00 34.42 C ATOM 158 CG MET A 10 27.447 -42.667 4.097 1.00 32.04 C ATOM 159 SD MET A 10 28.357 -42.654 5.656 1.00 63.33 S ATOM 160 CE MET A 10 29.518 -43.993 5.385 1.00 2.21 C ATOM 0 H MET A 10 26.864 -40.619 1.581 1.00 65.20 H new ATOM 0 HA MET A 10 25.028 -42.638 2.737 1.00 32.23 H new ATOM 0 HB2 MET A 10 26.870 -40.608 4.070 1.00 34.42 H new ATOM 0 HB3 MET A 10 25.758 -41.654 4.930 1.00 34.42 H new ATOM 0 HG2 MET A 10 26.977 -43.641 3.962 1.00 32.04 H new ATOM 0 HG3 MET A 10 28.145 -42.532 3.271 1.00 32.04 H new ATOM 0 HE1 MET A 10 30.152 -44.108 6.264 1.00 2.21 H new ATOM 0 HE2 MET A 10 28.971 -44.919 5.208 1.00 2.21 H new ATOM 0 HE3 MET A 10 30.138 -43.767 4.518 1.00 2.21 H new ATOM 170 N LYS A 11 23.669 -40.581 4.042 1.00 2.42 N ATOM 171 CA LYS A 11 22.598 -39.597 4.281 1.00 53.43 C ATOM 172 C LYS A 11 23.080 -38.421 5.147 1.00 2.14 C ATOM 173 O LYS A 11 24.158 -38.467 5.745 1.00 53.02 O ATOM 174 CB LYS A 11 21.399 -40.272 4.963 1.00 65.21 C ATOM 175 CG LYS A 11 20.721 -41.342 4.114 1.00 51.45 C ATOM 176 CD LYS A 11 19.563 -41.997 4.864 1.00 31.31 C ATOM 177 CE LYS A 11 18.847 -43.037 4.013 1.00 11.40 C ATOM 178 NZ LYS A 11 18.210 -42.437 2.813 1.00 45.40 N ATOM 0 H LYS A 11 23.822 -41.231 4.813 1.00 2.42 H new ATOM 0 HA LYS A 11 22.300 -39.203 3.309 1.00 53.43 H new ATOM 0 HB2 LYS A 11 21.733 -40.723 5.898 1.00 65.21 H new ATOM 0 HB3 LYS A 11 20.665 -39.509 5.221 1.00 65.21 H new ATOM 0 HG2 LYS A 11 20.352 -40.896 3.190 1.00 51.45 H new ATOM 0 HG3 LYS A 11 21.450 -42.102 3.833 1.00 51.45 H new ATOM 0 HD2 LYS A 11 19.940 -42.468 5.772 1.00 31.31 H new ATOM 0 HD3 LYS A 11 18.852 -41.231 5.174 1.00 31.31 H new ATOM 0 HE2 LYS A 11 19.559 -43.801 3.701 1.00 11.40 H new ATOM 0 HE3 LYS A 11 18.087 -43.536 4.615 1.00 11.40 H new ATOM 0 HZ1 LYS A 11 17.583 -43.137 2.366 1.00 45.40 H new ATOM 0 HZ2 LYS A 11 17.654 -41.604 3.095 1.00 45.40 H new ATOM 0 HZ3 LYS A 11 18.946 -42.149 2.137 1.00 45.40 H new ATOM 192 N HIS A 12 22.271 -37.362 5.206 1.00 72.15 N ATOM 193 CA HIS A 12 22.554 -36.216 6.079 1.00 23.40 C ATOM 194 C HIS A 12 21.274 -35.703 6.756 1.00 72.42 C ATOM 195 O HIS A 12 20.165 -35.920 6.262 1.00 22.31 O ATOM 196 CB HIS A 12 23.226 -35.079 5.290 1.00 62.12 C ATOM 197 CG HIS A 12 22.328 -34.381 4.308 1.00 21.32 C ATOM 198 ND1 HIS A 12 22.160 -34.797 3.006 1.00 55.21 N ATOM 199 CD2 HIS A 12 21.552 -33.277 4.444 1.00 2.32 C ATOM 200 CE1 HIS A 12 21.328 -33.984 2.387 1.00 44.35 C ATOM 201 NE2 HIS A 12 20.943 -33.054 3.238 1.00 70.43 N ATOM 0 H HIS A 12 21.414 -37.272 4.660 1.00 72.15 H new ATOM 0 HA HIS A 12 23.240 -36.556 6.855 1.00 23.40 H new ATOM 0 HB2 HIS A 12 23.611 -34.343 5.996 1.00 62.12 H new ATOM 0 HB3 HIS A 12 24.083 -35.485 4.753 1.00 62.12 H new ATOM 0 HD2 HIS A 12 21.436 -32.683 5.339 1.00 2.32 H new ATOM 0 HE1 HIS A 12 21.015 -34.066 1.357 1.00 44.35 H new ATOM 0 HE2 HIS A 12 20.297 -32.292 3.032 1.00 70.43 H new ATOM 210 N SER A 13 21.433 -35.008 7.879 1.00 2.31 N ATOM 211 CA SER A 13 20.289 -34.463 8.631 1.00 24.41 C ATOM 212 C SER A 13 20.500 -32.983 8.975 1.00 42.32 C ATOM 213 O SER A 13 21.608 -32.566 9.311 1.00 44.15 O ATOM 214 CB SER A 13 20.074 -35.261 9.923 1.00 41.43 C ATOM 215 OG SER A 13 21.233 -35.235 10.744 1.00 63.42 O ATOM 0 H SER A 13 22.342 -34.805 8.295 1.00 2.31 H new ATOM 0 HA SER A 13 19.407 -34.548 7.997 1.00 24.41 H new ATOM 0 HB2 SER A 13 19.228 -34.848 10.472 1.00 41.43 H new ATOM 0 HB3 SER A 13 19.822 -36.293 9.678 1.00 41.43 H new ATOM 0 HG SER A 13 21.067 -35.750 11.561 1.00 63.42 H new ATOM 221 N VAL A 14 19.434 -32.191 8.891 1.00 11.23 N ATOM 222 CA VAL A 14 19.499 -30.765 9.229 1.00 13.33 C ATOM 223 C VAL A 14 18.866 -30.486 10.606 1.00 44.22 C ATOM 224 O VAL A 14 17.843 -31.076 10.969 1.00 33.31 O ATOM 225 CB VAL A 14 18.805 -29.889 8.147 1.00 54.24 C ATOM 226 CG1 VAL A 14 17.328 -30.250 8.006 1.00 44.44 C ATOM 227 CG2 VAL A 14 18.973 -28.400 8.456 1.00 21.40 C ATOM 0 H VAL A 14 18.512 -32.510 8.592 1.00 11.23 H new ATOM 0 HA VAL A 14 20.555 -30.498 9.267 1.00 13.33 H new ATOM 0 HB VAL A 14 19.292 -30.095 7.194 1.00 54.24 H new ATOM 0 HG11 VAL A 14 16.871 -29.621 7.242 1.00 44.44 H new ATOM 0 HG12 VAL A 14 17.235 -31.297 7.717 1.00 44.44 H new ATOM 0 HG13 VAL A 14 16.822 -30.091 8.958 1.00 44.44 H new ATOM 0 HG21 VAL A 14 18.479 -27.810 7.684 1.00 21.40 H new ATOM 0 HG22 VAL A 14 18.527 -28.177 9.425 1.00 21.40 H new ATOM 0 HG23 VAL A 14 20.034 -28.151 8.479 1.00 21.40 H new ATOM 237 N SER A 15 19.496 -29.604 11.377 1.00 30.25 N ATOM 238 CA SER A 15 18.982 -29.204 12.696 1.00 24.21 C ATOM 239 C SER A 15 18.999 -27.680 12.850 1.00 44.14 C ATOM 240 O SER A 15 19.931 -27.015 12.399 1.00 65.33 O ATOM 241 CB SER A 15 19.821 -29.832 13.819 1.00 30.21 C ATOM 242 OG SER A 15 19.863 -31.248 13.710 1.00 5.51 O ATOM 0 H SER A 15 20.369 -29.147 11.114 1.00 30.25 H new ATOM 0 HA SER A 15 17.954 -29.560 12.770 1.00 24.21 H new ATOM 0 HB2 SER A 15 20.835 -29.433 13.783 1.00 30.21 H new ATOM 0 HB3 SER A 15 19.403 -29.553 14.786 1.00 30.21 H new ATOM 0 HG SER A 15 20.406 -31.616 14.438 1.00 5.51 H new ATOM 248 N THR A 16 17.971 -27.129 13.490 1.00 13.42 N ATOM 249 CA THR A 16 17.890 -25.679 13.715 1.00 31.12 C ATOM 250 C THR A 16 18.385 -25.307 15.119 1.00 75.53 C ATOM 251 O THR A 16 17.673 -25.483 16.110 1.00 2.32 O ATOM 252 CB THR A 16 16.446 -25.142 13.523 1.00 44.31 C ATOM 253 OG1 THR A 16 15.524 -25.873 14.348 1.00 63.52 O ATOM 254 CG2 THR A 16 16.012 -25.242 12.062 1.00 5.43 C ATOM 0 H THR A 16 17.183 -27.658 13.863 1.00 13.42 H new ATOM 0 HA THR A 16 18.535 -25.214 12.970 1.00 31.12 H new ATOM 0 HB THR A 16 16.441 -24.093 13.818 1.00 44.31 H new ATOM 0 HG1 THR A 16 15.915 -26.007 15.237 1.00 63.52 H new ATOM 0 HG21 THR A 16 14.997 -24.859 11.957 1.00 5.43 H new ATOM 0 HG22 THR A 16 16.688 -24.654 11.441 1.00 5.43 H new ATOM 0 HG23 THR A 16 16.041 -26.284 11.744 1.00 5.43 H new ATOM 262 N LEU A 17 19.617 -24.812 15.206 1.00 12.14 N ATOM 263 CA LEU A 17 20.193 -24.394 16.490 1.00 52.01 C ATOM 264 C LEU A 17 19.970 -22.896 16.732 1.00 71.41 C ATOM 265 O LEU A 17 20.550 -22.050 16.047 1.00 13.51 O ATOM 266 CB LEU A 17 21.699 -24.716 16.554 1.00 41.33 C ATOM 267 CG LEU A 17 22.068 -26.209 16.655 1.00 13.00 C ATOM 268 CD1 LEU A 17 21.346 -26.871 17.827 1.00 63.03 C ATOM 269 CD2 LEU A 17 21.779 -26.945 15.346 1.00 12.43 C ATOM 0 H LEU A 17 20.238 -24.689 14.406 1.00 12.14 H new ATOM 0 HA LEU A 17 19.683 -24.955 17.274 1.00 52.01 H new ATOM 0 HB2 LEU A 17 22.176 -24.304 15.665 1.00 41.33 H new ATOM 0 HB3 LEU A 17 22.125 -24.198 17.414 1.00 41.33 H new ATOM 0 HG LEU A 17 23.141 -26.273 16.839 1.00 13.00 H new ATOM 0 HD11 LEU A 17 21.623 -27.924 17.877 1.00 63.03 H new ATOM 0 HD12 LEU A 17 21.630 -26.376 18.756 1.00 63.03 H new ATOM 0 HD13 LEU A 17 20.269 -26.786 17.686 1.00 63.03 H new ATOM 0 HD21 LEU A 17 22.051 -27.995 15.452 1.00 12.43 H new ATOM 0 HD22 LEU A 17 20.718 -26.866 15.111 1.00 12.43 H new ATOM 0 HD23 LEU A 17 22.363 -26.498 14.541 1.00 12.43 H new ATOM 281 N ASN A 18 19.125 -22.577 17.706 1.00 72.42 N ATOM 282 CA ASN A 18 18.813 -21.183 18.035 1.00 44.52 C ATOM 283 C ASN A 18 20.008 -20.486 18.699 1.00 24.42 C ATOM 284 O ASN A 18 20.411 -20.827 19.812 1.00 21.52 O ATOM 285 CB ASN A 18 17.588 -21.111 18.950 1.00 31.14 C ATOM 286 CG ASN A 18 17.148 -19.685 19.234 1.00 3.04 C ATOM 287 OD1 ASN A 18 17.327 -18.789 18.417 1.00 61.13 O ATOM 288 ND2 ASN A 18 16.568 -19.460 20.395 1.00 65.30 N ATOM 0 H ASN A 18 18.641 -23.263 18.285 1.00 72.42 H new ATOM 0 HA ASN A 18 18.592 -20.663 17.103 1.00 44.52 H new ATOM 0 HB2 ASN A 18 16.764 -21.656 18.490 1.00 31.14 H new ATOM 0 HB3 ASN A 18 17.814 -21.611 19.892 1.00 31.14 H new ATOM 0 HD21 ASN A 18 16.254 -18.520 20.634 1.00 65.30 H new ATOM 0 HD22 ASN A 18 16.433 -20.226 21.055 1.00 65.30 H new ATOM 295 N GLN A 19 20.563 -19.508 18.002 1.00 4.01 N ATOM 296 CA GLN A 19 21.724 -18.759 18.485 1.00 3.42 C ATOM 297 C GLN A 19 21.609 -17.267 18.139 1.00 51.25 C ATOM 298 O GLN A 19 20.701 -16.858 17.407 1.00 35.51 O ATOM 299 CB GLN A 19 23.003 -19.352 17.876 1.00 15.25 C ATOM 300 CG GLN A 19 23.060 -19.275 16.352 1.00 30.12 C ATOM 301 CD GLN A 19 24.290 -19.960 15.779 1.00 50.14 C ATOM 302 OE1 GLN A 19 25.338 -19.345 15.594 1.00 50.01 O ATOM 303 NE2 GLN A 19 24.175 -21.242 15.497 1.00 2.05 N ATOM 0 H GLN A 19 20.227 -19.207 17.087 1.00 4.01 H new ATOM 0 HA GLN A 19 21.764 -18.843 19.571 1.00 3.42 H new ATOM 0 HB2 GLN A 19 23.866 -18.829 18.288 1.00 15.25 H new ATOM 0 HB3 GLN A 19 23.088 -20.395 18.180 1.00 15.25 H new ATOM 0 HG2 GLN A 19 22.164 -19.735 15.935 1.00 30.12 H new ATOM 0 HG3 GLN A 19 23.054 -18.229 16.044 1.00 30.12 H new ATOM 0 HE21 GLN A 19 23.291 -21.723 15.662 1.00 2.05 H new ATOM 0 HE22 GLN A 19 24.970 -21.753 15.113 1.00 2.05 H new ATOM 312 N GLU A 20 22.523 -16.458 18.670 1.00 45.43 N ATOM 313 CA GLU A 20 22.530 -15.017 18.399 1.00 52.43 C ATOM 314 C GLU A 20 23.104 -14.722 17.005 1.00 5.54 C ATOM 315 O GLU A 20 24.053 -15.366 16.559 1.00 4.34 O ATOM 316 CB GLU A 20 23.341 -14.271 19.474 1.00 34.03 C ATOM 317 CG GLU A 20 23.417 -12.754 19.272 1.00 1.22 C ATOM 318 CD GLU A 20 22.065 -12.056 19.377 1.00 12.05 C ATOM 319 OE1 GLU A 20 21.377 -11.908 18.340 1.00 21.31 O ATOM 320 OE2 GLU A 20 21.687 -11.634 20.493 1.00 74.21 O ATOM 0 H GLU A 20 23.269 -16.773 19.290 1.00 45.43 H new ATOM 0 HA GLU A 20 21.499 -14.665 18.427 1.00 52.43 H new ATOM 0 HB2 GLU A 20 22.900 -14.473 20.450 1.00 34.03 H new ATOM 0 HB3 GLU A 20 24.354 -14.674 19.492 1.00 34.03 H new ATOM 0 HG2 GLU A 20 24.094 -12.330 20.014 1.00 1.22 H new ATOM 0 HG3 GLU A 20 23.848 -12.547 18.292 1.00 1.22 H new ATOM 327 N MET A 21 22.524 -13.740 16.326 1.00 60.34 N ATOM 328 CA MET A 21 22.956 -13.358 14.978 1.00 44.54 C ATOM 329 C MET A 21 23.291 -11.862 14.926 1.00 11.42 C ATOM 330 O MET A 21 22.799 -11.081 15.744 1.00 64.23 O ATOM 331 CB MET A 21 21.845 -13.679 13.963 1.00 53.34 C ATOM 332 CG MET A 21 22.214 -13.390 12.510 1.00 41.34 C ATOM 333 SD MET A 21 20.838 -13.672 11.372 1.00 51.33 S ATOM 334 CE MET A 21 19.682 -12.412 11.910 1.00 72.41 C ATOM 0 H MET A 21 21.747 -13.187 16.686 1.00 60.34 H new ATOM 0 HA MET A 21 23.851 -13.926 14.725 1.00 44.54 H new ATOM 0 HB2 MET A 21 21.579 -14.732 14.055 1.00 53.34 H new ATOM 0 HB3 MET A 21 20.957 -13.102 14.221 1.00 53.34 H new ATOM 0 HG2 MET A 21 22.546 -12.356 12.423 1.00 41.34 H new ATOM 0 HG3 MET A 21 23.055 -14.020 12.221 1.00 41.34 H new ATOM 0 HE1 MET A 21 18.973 -12.203 11.109 1.00 72.41 H new ATOM 0 HE2 MET A 21 19.143 -12.765 12.789 1.00 72.41 H new ATOM 0 HE3 MET A 21 20.227 -11.501 12.160 1.00 72.41 H new ATOM 344 N THR A 22 24.137 -11.463 13.981 1.00 72.12 N ATOM 345 CA THR A 22 24.416 -10.041 13.762 1.00 34.11 C ATOM 346 C THR A 22 23.120 -9.291 13.426 1.00 62.40 C ATOM 347 O THR A 22 22.263 -9.815 12.712 1.00 52.21 O ATOM 348 CB THR A 22 25.443 -9.822 12.623 1.00 73.13 C ATOM 349 OG1 THR A 22 24.961 -10.399 11.398 1.00 1.02 O ATOM 350 CG2 THR A 22 26.793 -10.432 12.981 1.00 20.23 C ATOM 0 H THR A 22 24.639 -12.095 13.358 1.00 72.12 H new ATOM 0 HA THR A 22 24.843 -9.651 14.686 1.00 34.11 H new ATOM 0 HB THR A 22 25.571 -8.748 12.489 1.00 73.13 H new ATOM 0 HG1 THR A 22 25.618 -10.252 10.686 1.00 1.02 H new ATOM 0 HG21 THR A 22 27.496 -10.264 12.165 1.00 20.23 H new ATOM 0 HG22 THR A 22 27.174 -9.965 13.889 1.00 20.23 H new ATOM 0 HG23 THR A 22 26.676 -11.503 13.145 1.00 20.23 H new ATOM 358 N GLN A 23 22.967 -8.079 13.962 1.00 50.21 N ATOM 359 CA GLN A 23 21.734 -7.306 13.782 1.00 20.01 C ATOM 360 C GLN A 23 21.368 -7.158 12.300 1.00 1.33 C ATOM 361 O GLN A 23 22.055 -6.477 11.536 1.00 54.23 O ATOM 362 CB GLN A 23 21.854 -5.931 14.450 1.00 61.45 C ATOM 363 CG GLN A 23 21.978 -6.008 15.969 1.00 72.10 C ATOM 364 CD GLN A 23 21.962 -4.643 16.629 1.00 22.44 C ATOM 365 OE1 GLN A 23 20.908 -4.120 16.977 1.00 13.41 O ATOM 366 NE2 GLN A 23 23.124 -4.053 16.807 1.00 2.12 N ATOM 0 H GLN A 23 23.679 -7.611 14.523 1.00 50.21 H new ATOM 0 HA GLN A 23 20.928 -7.858 14.265 1.00 20.01 H new ATOM 0 HB2 GLN A 23 22.724 -5.413 14.047 1.00 61.45 H new ATOM 0 HB3 GLN A 23 20.980 -5.332 14.193 1.00 61.45 H new ATOM 0 HG2 GLN A 23 21.159 -6.608 16.366 1.00 72.10 H new ATOM 0 HG3 GLN A 23 22.904 -6.521 16.228 1.00 72.10 H new ATOM 0 HE21 GLN A 23 23.982 -4.515 16.506 1.00 2.12 H new ATOM 0 HE22 GLN A 23 23.167 -3.133 17.246 1.00 2.12 H new ATOM 375 N LEU A 24 20.278 -7.812 11.914 1.00 62.42 N ATOM 376 CA LEU A 24 19.841 -7.867 10.518 1.00 32.30 C ATOM 377 C LEU A 24 19.548 -6.469 9.946 1.00 32.03 C ATOM 378 O LEU A 24 19.082 -5.578 10.660 1.00 2.30 O ATOM 379 CB LEU A 24 18.590 -8.753 10.415 1.00 62.11 C ATOM 380 CG LEU A 24 18.036 -8.969 8.995 1.00 42.33 C ATOM 381 CD1 LEU A 24 19.069 -9.659 8.104 1.00 74.25 C ATOM 382 CD2 LEU A 24 16.739 -9.774 9.047 1.00 75.44 C ATOM 0 H LEU A 24 19.671 -8.320 12.557 1.00 62.42 H new ATOM 0 HA LEU A 24 20.652 -8.291 9.927 1.00 32.30 H new ATOM 0 HB2 LEU A 24 18.821 -9.727 10.846 1.00 62.11 H new ATOM 0 HB3 LEU A 24 17.804 -8.312 11.028 1.00 62.11 H new ATOM 0 HG LEU A 24 17.819 -7.993 8.560 1.00 42.33 H new ATOM 0 HD11 LEU A 24 18.653 -9.800 7.106 1.00 74.25 H new ATOM 0 HD12 LEU A 24 19.965 -9.041 8.040 1.00 74.25 H new ATOM 0 HD13 LEU A 24 19.327 -10.629 8.530 1.00 74.25 H new ATOM 0 HD21 LEU A 24 16.360 -9.918 8.035 1.00 75.44 H new ATOM 0 HD22 LEU A 24 16.931 -10.744 9.504 1.00 75.44 H new ATOM 0 HD23 LEU A 24 15.999 -9.234 9.638 1.00 75.44 H new ATOM 394 N ASN A 25 19.827 -6.291 8.650 1.00 51.44 N ATOM 395 CA ASN A 25 19.538 -5.030 7.948 1.00 41.32 C ATOM 396 C ASN A 25 18.114 -4.536 8.249 1.00 11.03 C ATOM 397 O ASN A 25 17.145 -5.262 8.029 1.00 22.20 O ATOM 398 CB ASN A 25 19.688 -5.221 6.433 1.00 44.43 C ATOM 399 CG ASN A 25 21.066 -5.709 6.039 1.00 52.51 C ATOM 400 OD1 ASN A 25 21.976 -4.920 5.825 1.00 24.13 O ATOM 401 ND2 ASN A 25 21.224 -7.013 5.919 1.00 30.45 N ATOM 0 H ASN A 25 20.254 -7.006 8.062 1.00 51.44 H new ATOM 0 HA ASN A 25 20.251 -4.286 8.303 1.00 41.32 H new ATOM 0 HB2 ASN A 25 18.941 -5.935 6.085 1.00 44.43 H new ATOM 0 HB3 ASN A 25 19.484 -4.276 5.930 1.00 44.43 H new ATOM 0 HD21 ASN A 25 22.128 -7.394 5.639 1.00 30.45 H new ATOM 0 HD22 ASN A 25 20.442 -7.641 6.106 1.00 30.45 H new ATOM 408 N GLN A 26 17.996 -3.296 8.730 1.00 51.33 N ATOM 409 CA GLN A 26 16.688 -2.709 9.070 1.00 11.22 C ATOM 410 C GLN A 26 15.716 -2.794 7.881 1.00 53.21 C ATOM 411 O GLN A 26 14.509 -2.968 8.058 1.00 74.32 O ATOM 412 CB GLN A 26 16.854 -1.247 9.528 1.00 51.24 C ATOM 413 CG GLN A 26 17.494 -1.083 10.911 1.00 21.53 C ATOM 414 CD GLN A 26 18.906 -1.647 11.001 1.00 23.13 C ATOM 415 OE1 GLN A 26 19.024 -2.905 11.377 1.00 22.42 O flip ATOM 416 NE2 GLN A 26 19.883 -0.959 10.735 1.00 51.23 N flip ATOM 0 H GLN A 26 18.788 -2.675 8.895 1.00 51.33 H new ATOM 0 HA GLN A 26 16.265 -3.285 9.893 1.00 11.22 H new ATOM 0 HB2 GLN A 26 17.462 -0.717 8.795 1.00 51.24 H new ATOM 0 HB3 GLN A 26 15.875 -0.769 9.536 1.00 51.24 H new ATOM 0 HG2 GLN A 26 17.518 -0.024 11.168 1.00 21.53 H new ATOM 0 HG3 GLN A 26 16.867 -1.577 11.653 1.00 21.53 H new ATOM 0 HE21 GLN A 26 19.760 0.012 10.447 1.00 51.23 H new ATOM 0 HE22 GLN A 26 20.820 -1.356 10.802 1.00 51.23 H new ATOM 425 N GLU A 27 16.262 -2.682 6.674 1.00 73.43 N ATOM 426 CA GLU A 27 15.495 -2.893 5.442 1.00 71.33 C ATOM 427 C GLU A 27 14.887 -4.306 5.406 1.00 13.41 C ATOM 428 O GLU A 27 13.680 -4.473 5.223 1.00 61.33 O ATOM 429 CB GLU A 27 16.409 -2.677 4.227 1.00 55.54 C ATOM 430 CG GLU A 27 15.741 -2.943 2.883 1.00 12.34 C ATOM 431 CD GLU A 27 16.682 -2.703 1.714 1.00 24.10 C ATOM 432 OE1 GLU A 27 17.485 -3.608 1.390 1.00 62.42 O ATOM 433 OE2 GLU A 27 16.633 -1.608 1.118 1.00 2.31 O ATOM 0 H GLU A 27 17.242 -2.444 6.518 1.00 73.43 H new ATOM 0 HA GLU A 27 14.676 -2.175 5.413 1.00 71.33 H new ATOM 0 HB2 GLU A 27 16.775 -1.650 4.241 1.00 55.54 H new ATOM 0 HB3 GLU A 27 17.279 -3.327 4.322 1.00 55.54 H new ATOM 0 HG2 GLU A 27 15.385 -3.973 2.854 1.00 12.34 H new ATOM 0 HG3 GLU A 27 14.867 -2.300 2.781 1.00 12.34 H new ATOM 440 N THR A 28 15.734 -5.318 5.598 1.00 3.13 N ATOM 441 CA THR A 28 15.285 -6.718 5.618 1.00 52.45 C ATOM 442 C THR A 28 14.344 -6.987 6.805 1.00 25.11 C ATOM 443 O THR A 28 13.460 -7.848 6.733 1.00 25.44 O ATOM 444 CB THR A 28 16.482 -7.699 5.691 1.00 14.10 C ATOM 445 OG1 THR A 28 17.437 -7.393 4.662 1.00 50.24 O ATOM 446 CG2 THR A 28 16.017 -9.147 5.537 1.00 72.52 C ATOM 0 H THR A 28 16.737 -5.198 5.742 1.00 3.13 H new ATOM 0 HA THR A 28 14.745 -6.885 4.686 1.00 52.45 H new ATOM 0 HB THR A 28 16.949 -7.584 6.669 1.00 14.10 H new ATOM 0 HG1 THR A 28 18.190 -8.018 4.718 1.00 50.24 H new ATOM 0 HG21 THR A 28 16.878 -9.813 5.592 1.00 72.52 H new ATOM 0 HG22 THR A 28 15.317 -9.391 6.336 1.00 72.52 H new ATOM 0 HG23 THR A 28 15.524 -9.270 4.573 1.00 72.52 H new ATOM 454 N VAL A 29 14.540 -6.249 7.901 1.00 15.41 N ATOM 455 CA VAL A 29 13.647 -6.333 9.061 1.00 15.33 C ATOM 456 C VAL A 29 12.233 -5.858 8.691 1.00 1.01 C ATOM 457 O VAL A 29 11.244 -6.520 9.008 1.00 31.13 O ATOM 458 CB VAL A 29 14.178 -5.500 10.257 1.00 34.33 C ATOM 459 CG1 VAL A 29 13.192 -5.530 11.428 1.00 62.15 C ATOM 460 CG2 VAL A 29 15.554 -6.002 10.701 1.00 62.14 C ATOM 0 H VAL A 29 15.308 -5.587 8.010 1.00 15.41 H new ATOM 0 HA VAL A 29 13.611 -7.380 9.363 1.00 15.33 H new ATOM 0 HB VAL A 29 14.280 -4.467 9.925 1.00 34.33 H new ATOM 0 HG11 VAL A 29 13.589 -4.938 12.253 1.00 62.15 H new ATOM 0 HG12 VAL A 29 12.236 -5.114 11.110 1.00 62.15 H new ATOM 0 HG13 VAL A 29 13.048 -6.559 11.756 1.00 62.15 H new ATOM 0 HG21 VAL A 29 15.906 -5.403 11.541 1.00 62.14 H new ATOM 0 HG22 VAL A 29 15.480 -7.046 11.006 1.00 62.14 H new ATOM 0 HG23 VAL A 29 16.258 -5.915 9.873 1.00 62.14 H new ATOM 470 N LYS A 30 12.151 -4.717 8.006 1.00 31.25 N ATOM 471 CA LYS A 30 10.870 -4.200 7.513 1.00 30.41 C ATOM 472 C LYS A 30 10.234 -5.153 6.494 1.00 52.44 C ATOM 473 O LYS A 30 9.018 -5.343 6.487 1.00 62.02 O ATOM 474 CB LYS A 30 11.050 -2.800 6.901 1.00 24.11 C ATOM 475 CG LYS A 30 11.313 -1.713 7.939 1.00 44.34 C ATOM 476 CD LYS A 30 10.167 -1.624 8.944 1.00 34.14 C ATOM 477 CE LYS A 30 10.421 -0.577 10.020 1.00 53.02 C ATOM 478 NZ LYS A 30 9.333 -0.564 11.032 1.00 73.44 N ATOM 0 H LYS A 30 12.955 -4.132 7.779 1.00 31.25 H new ATOM 0 HA LYS A 30 10.195 -4.125 8.365 1.00 30.41 H new ATOM 0 HB2 LYS A 30 11.879 -2.825 6.194 1.00 24.11 H new ATOM 0 HB3 LYS A 30 10.155 -2.542 6.334 1.00 24.11 H new ATOM 0 HG2 LYS A 30 12.245 -1.924 8.463 1.00 44.34 H new ATOM 0 HG3 LYS A 30 11.439 -0.752 7.440 1.00 44.34 H new ATOM 0 HD2 LYS A 30 9.243 -1.384 8.418 1.00 34.14 H new ATOM 0 HD3 LYS A 30 10.023 -2.597 9.414 1.00 34.14 H new ATOM 0 HE2 LYS A 30 11.373 -0.780 10.510 1.00 53.02 H new ATOM 0 HE3 LYS A 30 10.503 0.408 9.560 1.00 53.02 H new ATOM 0 HZ1 LYS A 30 9.740 -0.419 11.978 1.00 73.44 H new ATOM 0 HZ2 LYS A 30 8.670 0.208 10.819 1.00 73.44 H new ATOM 0 HZ3 LYS A 30 8.826 -1.472 11.009 1.00 73.44 H new ATOM 492 N ILE A 31 11.057 -5.752 5.634 1.00 13.32 N ATOM 493 CA ILE A 31 10.584 -6.792 4.709 1.00 24.12 C ATOM 494 C ILE A 31 9.934 -7.955 5.482 1.00 4.14 C ATOM 495 O ILE A 31 8.822 -8.391 5.170 1.00 42.22 O ATOM 496 CB ILE A 31 11.747 -7.340 3.839 1.00 33.35 C ATOM 497 CG1 ILE A 31 12.298 -6.235 2.918 1.00 64.22 C ATOM 498 CG2 ILE A 31 11.291 -8.555 3.027 1.00 10.10 C ATOM 499 CD1 ILE A 31 13.492 -6.660 2.085 1.00 34.21 C ATOM 0 H ILE A 31 12.051 -5.539 5.555 1.00 13.32 H new ATOM 0 HA ILE A 31 9.841 -6.334 4.056 1.00 24.12 H new ATOM 0 HB ILE A 31 12.551 -7.663 4.501 1.00 33.35 H new ATOM 0 HG12 ILE A 31 11.503 -5.903 2.250 1.00 64.22 H new ATOM 0 HG13 ILE A 31 12.581 -5.377 3.527 1.00 64.22 H new ATOM 0 HG21 ILE A 31 12.122 -8.923 2.425 1.00 10.10 H new ATOM 0 HG22 ILE A 31 10.958 -9.341 3.705 1.00 10.10 H new ATOM 0 HG23 ILE A 31 10.468 -8.267 2.373 1.00 10.10 H new ATOM 0 HD11 ILE A 31 13.819 -5.825 1.465 1.00 34.21 H new ATOM 0 HD12 ILE A 31 14.306 -6.963 2.744 1.00 34.21 H new ATOM 0 HD13 ILE A 31 13.211 -7.498 1.447 1.00 34.21 H new ATOM 511 N THR A 32 10.635 -8.437 6.507 1.00 62.34 N ATOM 512 CA THR A 32 10.123 -9.511 7.367 1.00 63.12 C ATOM 513 C THR A 32 8.851 -9.066 8.105 1.00 30.13 C ATOM 514 O THR A 32 7.901 -9.839 8.259 1.00 23.53 O ATOM 515 CB THR A 32 11.184 -9.957 8.406 1.00 74.15 C ATOM 516 OG1 THR A 32 12.368 -10.430 7.736 1.00 42.30 O ATOM 517 CG2 THR A 32 10.646 -11.059 9.311 1.00 21.20 C ATOM 0 H THR A 32 11.563 -8.101 6.766 1.00 62.34 H new ATOM 0 HA THR A 32 9.887 -10.354 6.718 1.00 63.12 H new ATOM 0 HB THR A 32 11.428 -9.090 9.020 1.00 74.15 H new ATOM 0 HG1 THR A 32 12.838 -9.673 7.328 1.00 42.30 H new ATOM 0 HG21 THR A 32 11.414 -11.349 10.028 1.00 21.20 H new ATOM 0 HG22 THR A 32 9.769 -10.694 9.846 1.00 21.20 H new ATOM 0 HG23 THR A 32 10.369 -11.923 8.707 1.00 21.20 H new ATOM 525 N GLN A 33 8.841 -7.812 8.553 1.00 4.12 N ATOM 526 CA GLN A 33 7.682 -7.246 9.245 1.00 54.53 C ATOM 527 C GLN A 33 6.458 -7.197 8.316 1.00 73.04 C ATOM 528 O GLN A 33 5.357 -7.592 8.704 1.00 0.33 O ATOM 529 CB GLN A 33 8.014 -5.839 9.780 1.00 42.50 C ATOM 530 CG GLN A 33 6.870 -5.179 10.550 1.00 4.51 C ATOM 531 CD GLN A 33 7.267 -3.878 11.236 1.00 0.31 C ATOM 532 OE1 GLN A 33 8.132 -3.143 10.772 1.00 15.44 O ATOM 533 NE2 GLN A 33 6.633 -3.586 12.355 1.00 62.11 N ATOM 0 H GLN A 33 9.624 -7.166 8.449 1.00 4.12 H new ATOM 0 HA GLN A 33 7.438 -7.891 10.089 1.00 54.53 H new ATOM 0 HB2 GLN A 33 8.885 -5.906 10.431 1.00 42.50 H new ATOM 0 HB3 GLN A 33 8.291 -5.199 8.942 1.00 42.50 H new ATOM 0 HG2 GLN A 33 6.047 -4.981 9.863 1.00 4.51 H new ATOM 0 HG3 GLN A 33 6.498 -5.877 11.300 1.00 4.51 H new ATOM 0 HE21 GLN A 33 5.918 -4.218 12.716 1.00 62.11 H new ATOM 0 HE22 GLN A 33 6.858 -2.728 12.860 1.00 62.11 H new ATOM 542 N GLN A 34 6.664 -6.744 7.080 1.00 23.44 N ATOM 543 CA GLN A 34 5.579 -6.629 6.096 1.00 23.43 C ATOM 544 C GLN A 34 4.899 -7.980 5.835 1.00 53.15 C ATOM 545 O GLN A 34 3.675 -8.088 5.903 1.00 62.41 O ATOM 546 CB GLN A 34 6.102 -6.053 4.774 1.00 53.23 C ATOM 547 CG GLN A 34 5.014 -5.869 3.721 1.00 62.05 C ATOM 548 CD GLN A 34 5.520 -5.209 2.450 1.00 22.35 C ATOM 549 OE1 GLN A 34 5.521 -3.990 2.330 1.00 31.30 O ATOM 550 NE2 GLN A 34 5.945 -6.003 1.489 1.00 72.43 N ATOM 0 H GLN A 34 7.576 -6.448 6.731 1.00 23.44 H new ATOM 0 HA GLN A 34 4.838 -5.950 6.518 1.00 23.43 H new ATOM 0 HB2 GLN A 34 6.576 -5.091 4.968 1.00 53.23 H new ATOM 0 HB3 GLN A 34 6.873 -6.714 4.378 1.00 53.23 H new ATOM 0 HG2 GLN A 34 4.588 -6.841 3.474 1.00 62.05 H new ATOM 0 HG3 GLN A 34 4.209 -5.266 4.141 1.00 62.05 H new ATOM 0 HE21 GLN A 34 5.931 -7.014 1.620 1.00 72.43 H new ATOM 0 HE22 GLN A 34 6.288 -5.606 0.614 1.00 72.43 H new ATOM 559 N ASN A 35 5.696 -9.008 5.543 1.00 4.35 N ATOM 560 CA ASN A 35 5.165 -10.349 5.262 1.00 44.44 C ATOM 561 C ASN A 35 4.344 -10.899 6.445 1.00 20.23 C ATOM 562 O ASN A 35 3.259 -11.468 6.256 1.00 4.22 O ATOM 563 CB ASN A 35 6.305 -11.318 4.923 1.00 0.22 C ATOM 564 CG ASN A 35 7.084 -10.902 3.685 1.00 54.05 C ATOM 565 OD1 ASN A 35 6.558 -10.242 2.793 1.00 4.41 O ATOM 566 ND2 ASN A 35 8.338 -11.299 3.615 1.00 70.01 N ATOM 0 H ASN A 35 6.713 -8.941 5.494 1.00 4.35 H new ATOM 0 HA ASN A 35 4.499 -10.261 4.403 1.00 44.44 H new ATOM 0 HB2 ASN A 35 6.987 -11.381 5.771 1.00 0.22 H new ATOM 0 HB3 ASN A 35 5.894 -12.316 4.770 1.00 0.22 H new ATOM 0 HD21 ASN A 35 8.904 -11.059 2.801 1.00 70.01 H new ATOM 0 HD22 ASN A 35 8.743 -11.846 4.375 1.00 70.01 H new ATOM 573 N ARG A 36 4.856 -10.722 7.664 1.00 54.51 N ATOM 574 CA ARG A 36 4.167 -11.211 8.867 1.00 31.21 C ATOM 575 C ARG A 36 2.873 -10.421 9.139 1.00 51.41 C ATOM 576 O ARG A 36 1.834 -11.006 9.449 1.00 14.52 O ATOM 577 CB ARG A 36 5.102 -11.164 10.086 1.00 42.12 C ATOM 578 CG ARG A 36 6.332 -12.063 9.943 1.00 12.33 C ATOM 579 CD ARG A 36 7.171 -12.108 11.221 1.00 70.11 C ATOM 580 NE ARG A 36 6.434 -12.680 12.346 1.00 61.35 N ATOM 581 CZ ARG A 36 6.981 -13.095 13.459 1.00 42.54 C ATOM 582 NH1 ARG A 36 8.268 -13.061 13.624 1.00 1.12 N ATOM 583 NH2 ARG A 36 6.234 -13.561 14.402 1.00 53.42 N ATOM 0 H ARG A 36 5.740 -10.247 7.848 1.00 54.51 H new ATOM 0 HA ARG A 36 3.886 -12.249 8.688 1.00 31.21 H new ATOM 0 HB2 ARG A 36 5.429 -10.136 10.245 1.00 42.12 H new ATOM 0 HB3 ARG A 36 4.545 -11.462 10.974 1.00 42.12 H new ATOM 0 HG2 ARG A 36 6.013 -13.073 9.685 1.00 12.33 H new ATOM 0 HG3 ARG A 36 6.948 -11.703 9.119 1.00 12.33 H new ATOM 0 HD2 ARG A 36 8.071 -12.696 11.042 1.00 70.11 H new ATOM 0 HD3 ARG A 36 7.495 -11.099 11.477 1.00 70.11 H new ATOM 0 HE ARG A 36 5.421 -12.761 12.257 1.00 61.35 H new ATOM 0 HH11 ARG A 36 8.868 -12.707 12.879 1.00 1.12 H new ATOM 0 HH12 ARG A 36 8.679 -13.388 14.498 1.00 1.12 H new ATOM 0 HH21 ARG A 36 5.223 -13.604 14.277 1.00 53.42 H new ATOM 0 HH22 ARG A 36 6.655 -13.886 15.272 1.00 53.42 H new ATOM 597 N LEU A 37 2.928 -9.094 9.006 1.00 61.21 N ATOM 598 CA LEU A 37 1.724 -8.260 9.149 1.00 15.24 C ATOM 599 C LEU A 37 0.723 -8.554 8.019 1.00 51.12 C ATOM 600 O LEU A 37 -0.490 -8.487 8.214 1.00 72.32 O ATOM 601 CB LEU A 37 2.083 -6.766 9.158 1.00 50.12 C ATOM 602 CG LEU A 37 3.046 -6.324 10.274 1.00 44.13 C ATOM 603 CD1 LEU A 37 3.213 -4.806 10.271 1.00 41.54 C ATOM 604 CD2 LEU A 37 2.567 -6.816 11.638 1.00 63.13 C ATOM 0 H LEU A 37 3.782 -8.575 8.802 1.00 61.21 H new ATOM 0 HA LEU A 37 1.261 -8.508 10.104 1.00 15.24 H new ATOM 0 HB2 LEU A 37 2.528 -6.511 8.196 1.00 50.12 H new ATOM 0 HB3 LEU A 37 1.162 -6.189 9.247 1.00 50.12 H new ATOM 0 HG LEU A 37 4.019 -6.775 10.079 1.00 44.13 H new ATOM 0 HD11 LEU A 37 3.898 -4.514 11.067 1.00 41.54 H new ATOM 0 HD12 LEU A 37 3.616 -4.486 9.310 1.00 41.54 H new ATOM 0 HD13 LEU A 37 2.244 -4.333 10.433 1.00 41.54 H new ATOM 0 HD21 LEU A 37 3.266 -6.490 12.408 1.00 63.13 H new ATOM 0 HD22 LEU A 37 1.579 -6.405 11.847 1.00 63.13 H new ATOM 0 HD23 LEU A 37 2.514 -7.905 11.634 1.00 63.13 H new ATOM 616 N ASN A 38 1.249 -8.887 6.840 1.00 51.44 N ATOM 617 CA ASN A 38 0.425 -9.309 5.702 1.00 61.21 C ATOM 618 C ASN A 38 -0.352 -10.594 6.044 1.00 51.23 C ATOM 619 O ASN A 38 -1.454 -10.823 5.541 1.00 72.13 O ATOM 620 CB ASN A 38 1.320 -9.532 4.470 1.00 15.43 C ATOM 621 CG ASN A 38 0.560 -9.970 3.227 1.00 43.24 C ATOM 622 OD1 ASN A 38 -0.647 -9.477 3.053 1.00 23.32 O flip ATOM 623 ND2 ASN A 38 1.067 -10.740 2.416 1.00 51.11 N flip ATOM 0 H ASN A 38 2.250 -8.873 6.645 1.00 51.44 H new ATOM 0 HA ASN A 38 -0.299 -8.525 5.478 1.00 61.21 H new ATOM 0 HB2 ASN A 38 1.855 -8.608 4.250 1.00 15.43 H new ATOM 0 HB3 ASN A 38 2.070 -10.286 4.710 1.00 15.43 H new ATOM 0 HD21 ASN A 38 2.005 -11.106 2.578 1.00 51.11 H new ATOM 0 HD22 ASN A 38 0.550 -11.013 1.580 1.00 51.11 H new ATOM 630 N ALA A 39 0.236 -11.427 6.902 1.00 64.35 N ATOM 631 CA ALA A 39 -0.433 -12.637 7.393 1.00 3.42 C ATOM 632 C ALA A 39 -1.512 -12.307 8.444 1.00 31.02 C ATOM 633 O ALA A 39 -2.557 -12.961 8.498 1.00 60.42 O ATOM 634 CB ALA A 39 0.590 -13.610 7.970 1.00 75.24 C ATOM 0 H ALA A 39 1.176 -11.288 7.273 1.00 64.35 H new ATOM 0 HA ALA A 39 -0.932 -13.106 6.545 1.00 3.42 H new ATOM 0 HB1 ALA A 39 0.080 -14.503 8.331 1.00 75.24 H new ATOM 0 HB2 ALA A 39 1.305 -13.888 7.195 1.00 75.24 H new ATOM 0 HB3 ALA A 39 1.118 -13.135 8.797 1.00 75.24 H new ATOM 640 N LYS A 40 -1.250 -11.300 9.283 1.00 54.40 N ATOM 641 CA LYS A 40 -2.219 -10.857 10.301 1.00 5.44 C ATOM 642 C LYS A 40 -3.391 -10.075 9.690 1.00 40.05 C ATOM 643 O LYS A 40 -4.516 -10.135 10.191 1.00 22.03 O ATOM 644 CB LYS A 40 -1.542 -9.974 11.364 1.00 50.02 C ATOM 645 CG LYS A 40 -0.718 -10.736 12.396 1.00 33.44 C ATOM 646 CD LYS A 40 -0.343 -9.829 13.568 1.00 23.14 C ATOM 647 CE LYS A 40 0.292 -10.606 14.711 1.00 20.30 C ATOM 648 NZ LYS A 40 0.454 -9.760 15.922 1.00 20.22 N ATOM 0 H LYS A 40 -0.376 -10.774 9.281 1.00 54.40 H new ATOM 0 HA LYS A 40 -2.607 -11.765 10.763 1.00 5.44 H new ATOM 0 HB2 LYS A 40 -0.895 -9.256 10.861 1.00 50.02 H new ATOM 0 HB3 LYS A 40 -2.310 -9.401 11.884 1.00 50.02 H new ATOM 0 HG2 LYS A 40 -1.285 -11.593 12.760 1.00 33.44 H new ATOM 0 HG3 LYS A 40 0.186 -11.127 11.929 1.00 33.44 H new ATOM 0 HD2 LYS A 40 0.349 -9.060 13.224 1.00 23.14 H new ATOM 0 HD3 LYS A 40 -1.235 -9.317 13.929 1.00 23.14 H new ATOM 0 HE2 LYS A 40 -0.325 -11.472 14.951 1.00 20.30 H new ATOM 0 HE3 LYS A 40 1.265 -10.985 14.398 1.00 20.30 H new ATOM 0 HZ1 LYS A 40 0.578 -10.368 16.756 1.00 20.22 H new ATOM 0 HZ2 LYS A 40 1.289 -9.150 15.810 1.00 20.22 H new ATOM 0 HZ3 LYS A 40 -0.392 -9.168 16.048 1.00 20.22 H new ATOM 662 N SER A 41 -3.119 -9.340 8.619 1.00 50.42 N ATOM 663 CA SER A 41 -4.107 -8.429 8.020 1.00 25.30 C ATOM 664 C SER A 41 -5.420 -9.133 7.648 1.00 54.05 C ATOM 665 O SER A 41 -5.489 -9.879 6.670 1.00 50.22 O ATOM 666 CB SER A 41 -3.525 -7.754 6.775 1.00 73.50 C ATOM 667 OG SER A 41 -4.438 -6.811 6.240 1.00 31.51 O ATOM 0 H SER A 41 -2.219 -9.352 8.139 1.00 50.42 H new ATOM 0 HA SER A 41 -4.337 -7.682 8.780 1.00 25.30 H new ATOM 0 HB2 SER A 41 -2.589 -7.257 7.030 1.00 73.50 H new ATOM 0 HB3 SER A 41 -3.291 -8.508 6.023 1.00 73.50 H new ATOM 0 HG SER A 41 -3.956 -6.177 5.668 1.00 31.51 H new ATOM 673 N SER A 42 -6.462 -8.891 8.442 1.00 43.23 N ATOM 674 CA SER A 42 -7.807 -9.407 8.147 1.00 43.13 C ATOM 675 C SER A 42 -8.511 -8.547 7.089 1.00 21.54 C ATOM 676 O SER A 42 -9.428 -9.006 6.406 1.00 63.12 O ATOM 677 CB SER A 42 -8.651 -9.452 9.428 1.00 51.34 C ATOM 678 OG SER A 42 -8.676 -8.183 10.067 1.00 11.44 O ATOM 0 H SER A 42 -6.405 -8.340 9.298 1.00 43.23 H new ATOM 0 HA SER A 42 -7.699 -10.417 7.751 1.00 43.13 H new ATOM 0 HB2 SER A 42 -9.668 -9.762 9.187 1.00 51.34 H new ATOM 0 HB3 SER A 42 -8.244 -10.198 10.110 1.00 51.34 H new ATOM 0 HG SER A 42 -9.221 -8.237 10.880 1.00 11.44 H new ATOM 684 N SER A 43 -8.070 -7.298 6.961 1.00 11.42 N ATOM 685 CA SER A 43 -8.621 -6.369 5.965 1.00 35.00 C ATOM 686 C SER A 43 -7.516 -5.799 5.071 1.00 34.11 C ATOM 687 O SER A 43 -6.793 -4.878 5.465 1.00 73.34 O ATOM 688 CB SER A 43 -9.375 -5.218 6.646 1.00 23.21 C ATOM 689 OG SER A 43 -9.789 -4.243 5.699 1.00 43.43 O ATOM 0 H SER A 43 -7.328 -6.900 7.536 1.00 11.42 H new ATOM 0 HA SER A 43 -9.318 -6.933 5.346 1.00 35.00 H new ATOM 0 HB2 SER A 43 -10.245 -5.611 7.172 1.00 23.21 H new ATOM 0 HB3 SER A 43 -8.734 -4.752 7.395 1.00 23.21 H new ATOM 0 HG SER A 43 -10.268 -3.522 6.159 1.00 43.43 H new ATOM 695 N GLY A 44 -7.373 -6.377 3.881 1.00 62.34 N ATOM 696 CA GLY A 44 -6.399 -5.891 2.909 1.00 75.44 C ATOM 697 C GLY A 44 -4.968 -6.351 3.183 1.00 74.42 C ATOM 698 O GLY A 44 -4.745 -7.480 3.620 1.00 30.40 O ATOM 0 H GLY A 44 -7.918 -7.180 3.568 1.00 62.34 H new ATOM 0 HA2 GLY A 44 -6.694 -6.227 1.915 1.00 75.44 H new ATOM 0 HA3 GLY A 44 -6.424 -4.801 2.898 1.00 75.44 H new ATOM 702 N VAL A 45 -3.993 -5.476 2.916 1.00 1.12 N ATOM 703 CA VAL A 45 -2.569 -5.796 3.125 1.00 75.30 C ATOM 704 C VAL A 45 -1.790 -4.598 3.696 1.00 10.14 C ATOM 705 O VAL A 45 -2.068 -3.445 3.365 1.00 2.35 O ATOM 706 CB VAL A 45 -1.884 -6.252 1.804 1.00 25.00 C ATOM 707 CG1 VAL A 45 -2.484 -7.564 1.299 1.00 51.04 C ATOM 708 CG2 VAL A 45 -1.983 -5.161 0.734 1.00 71.02 C ATOM 0 H VAL A 45 -4.160 -4.537 2.554 1.00 1.12 H new ATOM 0 HA VAL A 45 -2.546 -6.613 3.846 1.00 75.30 H new ATOM 0 HB VAL A 45 -0.829 -6.425 2.016 1.00 25.00 H new ATOM 0 HG11 VAL A 45 -1.987 -7.859 0.375 1.00 51.04 H new ATOM 0 HG12 VAL A 45 -2.344 -8.341 2.051 1.00 51.04 H new ATOM 0 HG13 VAL A 45 -3.549 -7.428 1.111 1.00 51.04 H new ATOM 0 HG21 VAL A 45 -1.497 -5.503 -0.180 1.00 71.02 H new ATOM 0 HG22 VAL A 45 -3.032 -4.946 0.529 1.00 71.02 H new ATOM 0 HG23 VAL A 45 -1.490 -4.256 1.090 1.00 71.02 H new ATOM 718 N TYR A 46 -0.810 -4.880 4.558 1.00 62.12 N ATOM 719 CA TYR A 46 0.077 -3.840 5.102 1.00 54.43 C ATOM 720 C TYR A 46 1.315 -3.645 4.212 1.00 44.12 C ATOM 721 O TYR A 46 2.263 -4.424 4.286 1.00 72.00 O ATOM 722 CB TYR A 46 0.541 -4.208 6.523 1.00 50.52 C ATOM 723 CG TYR A 46 -0.524 -4.078 7.598 1.00 1.02 C ATOM 724 CD1 TYR A 46 -1.419 -5.110 7.856 1.00 10.44 C ATOM 725 CD2 TYR A 46 -0.618 -2.924 8.370 1.00 23.31 C ATOM 726 CE1 TYR A 46 -2.378 -4.992 8.845 1.00 11.11 C ATOM 727 CE2 TYR A 46 -1.571 -2.802 9.361 1.00 45.00 C ATOM 728 CZ TYR A 46 -2.446 -3.838 9.595 1.00 31.55 C ATOM 729 OH TYR A 46 -3.397 -3.721 10.582 1.00 70.54 O ATOM 0 H TYR A 46 -0.608 -5.821 4.897 1.00 62.12 H new ATOM 0 HA TYR A 46 -0.494 -2.912 5.131 1.00 54.43 H new ATOM 0 HB2 TYR A 46 0.905 -5.235 6.516 1.00 50.52 H new ATOM 0 HB3 TYR A 46 1.385 -3.572 6.790 1.00 50.52 H new ATOM 0 HD1 TYR A 46 -1.364 -6.018 7.275 1.00 10.44 H new ATOM 0 HD2 TYR A 46 0.067 -2.109 8.190 1.00 23.31 H new ATOM 0 HE1 TYR A 46 -3.070 -5.800 9.029 1.00 11.11 H new ATOM 0 HE2 TYR A 46 -1.630 -1.898 9.950 1.00 45.00 H new ATOM 0 HH TYR A 46 -2.970 -3.428 11.414 1.00 70.54 H new ATOM 739 N LEU A 47 1.296 -2.624 3.358 1.00 41.01 N ATOM 740 CA LEU A 47 2.476 -2.264 2.562 1.00 14.01 C ATOM 741 C LEU A 47 3.367 -1.279 3.331 1.00 70.20 C ATOM 742 O LEU A 47 2.999 -0.122 3.537 1.00 34.32 O ATOM 743 CB LEU A 47 2.062 -1.648 1.215 1.00 42.04 C ATOM 744 CG LEU A 47 1.362 -2.601 0.235 1.00 1.52 C ATOM 745 CD1 LEU A 47 0.939 -1.861 -1.031 1.00 13.32 C ATOM 746 CD2 LEU A 47 2.272 -3.778 -0.110 1.00 21.03 C ATOM 0 H LEU A 47 0.482 -2.031 3.197 1.00 41.01 H new ATOM 0 HA LEU A 47 3.040 -3.177 2.370 1.00 14.01 H new ATOM 0 HB2 LEU A 47 1.399 -0.805 1.410 1.00 42.04 H new ATOM 0 HB3 LEU A 47 2.952 -1.247 0.730 1.00 42.04 H new ATOM 0 HG LEU A 47 0.465 -2.989 0.718 1.00 1.52 H new ATOM 0 HD11 LEU A 47 0.445 -2.556 -1.711 1.00 13.32 H new ATOM 0 HD12 LEU A 47 0.250 -1.058 -0.770 1.00 13.32 H new ATOM 0 HD13 LEU A 47 1.819 -1.441 -1.518 1.00 13.32 H new ATOM 0 HD21 LEU A 47 1.759 -4.443 -0.805 1.00 21.03 H new ATOM 0 HD22 LEU A 47 3.188 -3.407 -0.571 1.00 21.03 H new ATOM 0 HD23 LEU A 47 2.519 -4.325 0.800 1.00 21.03 H new ATOM 758 N LEU A 48 4.535 -1.739 3.763 1.00 62.23 N ATOM 759 CA LEU A 48 5.462 -0.891 4.514 1.00 14.14 C ATOM 760 C LEU A 48 6.378 -0.103 3.565 1.00 30.04 C ATOM 761 O LEU A 48 7.189 -0.688 2.849 1.00 61.11 O ATOM 762 CB LEU A 48 6.311 -1.742 5.471 1.00 75.51 C ATOM 763 CG LEU A 48 5.517 -2.551 6.511 1.00 22.52 C ATOM 764 CD1 LEU A 48 6.464 -3.327 7.422 1.00 72.42 C ATOM 765 CD2 LEU A 48 4.605 -1.640 7.331 1.00 34.13 C ATOM 0 H LEU A 48 4.865 -2.692 3.608 1.00 62.23 H new ATOM 0 HA LEU A 48 4.873 -0.182 5.095 1.00 14.14 H new ATOM 0 HB2 LEU A 48 6.913 -2.432 4.880 1.00 75.51 H new ATOM 0 HB3 LEU A 48 7.004 -1.085 5.997 1.00 75.51 H new ATOM 0 HG LEU A 48 4.889 -3.265 5.978 1.00 22.52 H new ATOM 0 HD11 LEU A 48 5.885 -3.893 8.151 1.00 72.42 H new ATOM 0 HD12 LEU A 48 7.064 -4.013 6.824 1.00 72.42 H new ATOM 0 HD13 LEU A 48 7.121 -2.630 7.943 1.00 72.42 H new ATOM 0 HD21 LEU A 48 4.055 -2.236 8.059 1.00 34.13 H new ATOM 0 HD22 LEU A 48 5.207 -0.896 7.852 1.00 34.13 H new ATOM 0 HD23 LEU A 48 3.901 -1.137 6.668 1.00 34.13 H new ATOM 777 N PRO A 49 6.275 1.243 3.558 1.00 25.54 N ATOM 778 CA PRO A 49 7.103 2.099 2.682 1.00 71.02 C ATOM 779 C PRO A 49 8.610 2.024 3.004 1.00 21.14 C ATOM 780 O PRO A 49 9.439 2.590 2.289 1.00 72.34 O ATOM 781 CB PRO A 49 6.556 3.513 2.939 1.00 52.31 C ATOM 782 CG PRO A 49 5.876 3.433 4.266 1.00 12.41 C ATOM 783 CD PRO A 49 5.341 2.033 4.383 1.00 44.14 C ATOM 0 HA PRO A 49 7.037 1.785 1.640 1.00 71.02 H new ATOM 0 HB2 PRO A 49 7.359 4.250 2.952 1.00 52.31 H new ATOM 0 HB3 PRO A 49 5.859 3.814 2.157 1.00 52.31 H new ATOM 0 HG2 PRO A 49 6.574 3.651 5.074 1.00 12.41 H new ATOM 0 HG3 PRO A 49 5.070 4.164 4.335 1.00 12.41 H new ATOM 0 HD2 PRO A 49 5.331 1.691 5.418 1.00 44.14 H new ATOM 0 HD3 PRO A 49 4.318 1.961 4.013 1.00 44.14 H new ATOM 791 N GLY A 50 8.953 1.336 4.093 1.00 45.40 N ATOM 792 CA GLY A 50 10.353 1.105 4.439 1.00 52.34 C ATOM 793 C GLY A 50 10.834 -0.289 4.045 1.00 11.42 C ATOM 794 O GLY A 50 12.006 -0.631 4.227 1.00 65.34 O ATOM 0 H GLY A 50 8.283 0.931 4.747 1.00 45.40 H new ATOM 0 HA2 GLY A 50 10.973 1.852 3.944 1.00 52.34 H new ATOM 0 HA3 GLY A 50 10.485 1.241 5.512 1.00 52.34 H new ATOM 798 N ALA A 51 9.926 -1.096 3.501 1.00 12.22 N ATOM 799 CA ALA A 51 10.242 -2.462 3.078 1.00 14.52 C ATOM 800 C ALA A 51 10.331 -2.560 1.549 1.00 22.21 C ATOM 801 O ALA A 51 9.340 -2.359 0.848 1.00 72.14 O ATOM 802 CB ALA A 51 9.189 -3.431 3.606 1.00 71.42 C ATOM 0 H ALA A 51 8.956 -0.826 3.341 1.00 12.22 H new ATOM 0 HA ALA A 51 11.214 -2.730 3.492 1.00 14.52 H new ATOM 0 HB1 ALA A 51 9.433 -4.444 3.286 1.00 71.42 H new ATOM 0 HB2 ALA A 51 9.170 -3.389 4.695 1.00 71.42 H new ATOM 0 HB3 ALA A 51 8.210 -3.153 3.215 1.00 71.42 H new ATOM 808 N LYS A 52 11.515 -2.873 1.032 1.00 4.44 N ATOM 809 CA LYS A 52 11.712 -2.992 -0.418 1.00 13.24 C ATOM 810 C LYS A 52 11.190 -4.353 -0.929 1.00 0.11 C ATOM 811 O LYS A 52 11.946 -5.171 -1.464 1.00 11.24 O ATOM 812 CB LYS A 52 13.203 -2.800 -0.761 1.00 14.24 C ATOM 813 CG LYS A 52 13.458 -2.031 -2.060 1.00 2.24 C ATOM 814 CD LYS A 52 13.015 -2.800 -3.304 1.00 11.21 C ATOM 815 CE LYS A 52 13.224 -1.985 -4.577 1.00 50.42 C ATOM 816 NZ LYS A 52 14.630 -1.525 -4.723 1.00 64.40 N ATOM 0 H LYS A 52 12.352 -3.049 1.588 1.00 4.44 H new ATOM 0 HA LYS A 52 11.140 -2.211 -0.920 1.00 13.24 H new ATOM 0 HB2 LYS A 52 13.687 -2.272 0.061 1.00 14.24 H new ATOM 0 HB3 LYS A 52 13.676 -3.779 -0.834 1.00 14.24 H new ATOM 0 HG2 LYS A 52 12.931 -1.078 -2.021 1.00 2.24 H new ATOM 0 HG3 LYS A 52 14.521 -1.804 -2.139 1.00 2.24 H new ATOM 0 HD2 LYS A 52 13.575 -3.733 -3.373 1.00 11.21 H new ATOM 0 HD3 LYS A 52 11.962 -3.066 -3.211 1.00 11.21 H new ATOM 0 HE2 LYS A 52 12.949 -2.588 -5.442 1.00 50.42 H new ATOM 0 HE3 LYS A 52 12.560 -1.121 -4.567 1.00 50.42 H new ATOM 0 HZ1 LYS A 52 14.772 -1.140 -5.679 1.00 64.40 H new ATOM 0 HZ2 LYS A 52 14.828 -0.785 -4.019 1.00 64.40 H new ATOM 0 HZ3 LYS A 52 15.275 -2.327 -4.573 1.00 64.40 H new ATOM 830 N THR A 53 9.889 -4.578 -0.753 1.00 73.20 N ATOM 831 CA THR A 53 9.229 -5.832 -1.154 1.00 73.14 C ATOM 832 C THR A 53 7.731 -5.627 -1.408 1.00 44.44 C ATOM 833 O THR A 53 7.104 -4.751 -0.815 1.00 11.43 O ATOM 834 CB THR A 53 9.391 -6.948 -0.084 1.00 12.42 C ATOM 835 OG1 THR A 53 9.387 -6.383 1.235 1.00 23.44 O ATOM 836 CG2 THR A 53 10.662 -7.754 -0.314 1.00 33.34 C ATOM 0 H THR A 53 9.257 -3.899 -0.329 1.00 73.20 H new ATOM 0 HA THR A 53 9.721 -6.142 -2.076 1.00 73.14 H new ATOM 0 HB THR A 53 8.543 -7.626 -0.177 1.00 12.42 H new ATOM 0 HG1 THR A 53 8.748 -6.869 1.797 1.00 23.44 H new ATOM 0 HG21 THR A 53 10.746 -8.526 0.451 1.00 33.34 H new ATOM 0 HG22 THR A 53 10.624 -8.221 -1.298 1.00 33.34 H new ATOM 0 HG23 THR A 53 11.527 -7.093 -0.259 1.00 33.34 H new ATOM 844 N PRO A 54 7.136 -6.445 -2.295 1.00 61.33 N ATOM 845 CA PRO A 54 5.698 -6.387 -2.604 1.00 52.32 C ATOM 846 C PRO A 54 4.818 -7.213 -1.640 1.00 62.35 C ATOM 847 O PRO A 54 5.313 -7.828 -0.692 1.00 35.14 O ATOM 848 CB PRO A 54 5.658 -6.989 -4.009 1.00 52.34 C ATOM 849 CG PRO A 54 6.739 -8.020 -3.997 1.00 72.02 C ATOM 850 CD PRO A 54 7.824 -7.481 -3.098 1.00 22.33 C ATOM 0 HA PRO A 54 5.300 -5.376 -2.515 1.00 52.32 H new ATOM 0 HB2 PRO A 54 4.686 -7.433 -4.224 1.00 52.34 H new ATOM 0 HB3 PRO A 54 5.838 -6.232 -4.772 1.00 52.34 H new ATOM 0 HG2 PRO A 54 6.364 -8.973 -3.626 1.00 72.02 H new ATOM 0 HG3 PRO A 54 7.119 -8.197 -5.003 1.00 72.02 H new ATOM 0 HD2 PRO A 54 8.245 -8.263 -2.466 1.00 22.33 H new ATOM 0 HD3 PRO A 54 8.648 -7.059 -3.674 1.00 22.33 H new ATOM 858 N ALA A 55 3.508 -7.212 -1.901 1.00 14.22 N ATOM 859 CA ALA A 55 2.548 -8.018 -1.134 1.00 21.11 C ATOM 860 C ALA A 55 1.316 -8.364 -1.986 1.00 63.14 C ATOM 861 O ALA A 55 0.819 -7.529 -2.747 1.00 13.13 O ATOM 862 CB ALA A 55 2.128 -7.285 0.136 1.00 33.03 C ATOM 0 H ALA A 55 3.083 -6.657 -2.644 1.00 14.22 H new ATOM 0 HA ALA A 55 3.039 -8.950 -0.852 1.00 21.11 H new ATOM 0 HB1 ALA A 55 1.417 -7.897 0.691 1.00 33.03 H new ATOM 0 HB2 ALA A 55 3.005 -7.097 0.755 1.00 33.03 H new ATOM 0 HB3 ALA A 55 1.661 -6.336 -0.129 1.00 33.03 H new ATOM 868 N ARG A 56 0.838 -9.600 -1.869 1.00 11.13 N ATOM 869 CA ARG A 56 -0.298 -10.073 -2.671 1.00 71.51 C ATOM 870 C ARG A 56 -1.654 -9.800 -1.990 1.00 12.34 C ATOM 871 O ARG A 56 -1.853 -10.111 -0.812 1.00 75.24 O ATOM 872 CB ARG A 56 -0.144 -11.572 -2.959 1.00 42.21 C ATOM 873 CG ARG A 56 -1.242 -12.153 -3.848 1.00 1.44 C ATOM 874 CD ARG A 56 -0.979 -13.619 -4.174 1.00 61.43 C ATOM 875 NE ARG A 56 0.287 -13.803 -4.886 1.00 52.13 N ATOM 876 CZ ARG A 56 1.131 -14.771 -4.652 1.00 10.21 C ATOM 877 NH1 ARG A 56 0.904 -15.630 -3.709 1.00 74.14 N ATOM 878 NH2 ARG A 56 2.212 -14.865 -5.352 1.00 32.24 N ATOM 0 H ARG A 56 1.217 -10.296 -1.227 1.00 11.13 H new ATOM 0 HA ARG A 56 -0.291 -9.514 -3.607 1.00 71.51 H new ATOM 0 HB2 ARG A 56 0.822 -11.742 -3.435 1.00 42.21 H new ATOM 0 HB3 ARG A 56 -0.133 -12.113 -2.013 1.00 42.21 H new ATOM 0 HG2 ARG A 56 -2.206 -12.058 -3.347 1.00 1.44 H new ATOM 0 HG3 ARG A 56 -1.305 -11.579 -4.773 1.00 1.44 H new ATOM 0 HD2 ARG A 56 -0.964 -14.199 -3.251 1.00 61.43 H new ATOM 0 HD3 ARG A 56 -1.796 -14.008 -4.781 1.00 61.43 H new ATOM 0 HE ARG A 56 0.526 -13.129 -5.614 1.00 52.13 H new ATOM 0 HH11 ARG A 56 0.060 -15.553 -3.142 1.00 74.14 H new ATOM 0 HH12 ARG A 56 1.570 -16.383 -3.534 1.00 74.14 H new ATOM 0 HH21 ARG A 56 2.405 -14.184 -6.086 1.00 32.24 H new ATOM 0 HH22 ARG A 56 2.873 -15.621 -5.171 1.00 32.24 H new ATOM 892 N LEU A 57 -2.586 -9.238 -2.759 1.00 21.13 N ATOM 893 CA LEU A 57 -3.939 -8.923 -2.279 1.00 31.43 C ATOM 894 C LEU A 57 -4.997 -9.343 -3.316 1.00 55.34 C ATOM 895 O LEU A 57 -4.831 -9.106 -4.511 1.00 72.13 O ATOM 896 CB LEU A 57 -4.052 -7.413 -1.996 1.00 33.23 C ATOM 897 CG LEU A 57 -5.465 -6.890 -1.672 1.00 35.05 C ATOM 898 CD1 LEU A 57 -6.050 -7.599 -0.452 1.00 34.43 C ATOM 899 CD2 LEU A 57 -5.442 -5.376 -1.458 1.00 74.43 C ATOM 0 H LEU A 57 -2.428 -8.986 -3.735 1.00 21.13 H new ATOM 0 HA LEU A 57 -4.119 -9.479 -1.359 1.00 31.43 H new ATOM 0 HB2 LEU A 57 -3.396 -7.170 -1.160 1.00 33.23 H new ATOM 0 HB3 LEU A 57 -3.676 -6.872 -2.864 1.00 33.23 H new ATOM 0 HG LEU A 57 -6.108 -7.108 -2.525 1.00 35.05 H new ATOM 0 HD11 LEU A 57 -7.047 -7.209 -0.248 1.00 34.43 H new ATOM 0 HD12 LEU A 57 -6.112 -8.669 -0.648 1.00 34.43 H new ATOM 0 HD13 LEU A 57 -5.409 -7.425 0.412 1.00 34.43 H new ATOM 0 HD21 LEU A 57 -6.449 -5.025 -1.230 1.00 74.43 H new ATOM 0 HD22 LEU A 57 -4.778 -5.136 -0.628 1.00 74.43 H new ATOM 0 HD23 LEU A 57 -5.083 -4.886 -2.363 1.00 74.43 H new ATOM 911 N GLU A 58 -6.082 -9.973 -2.866 1.00 53.02 N ATOM 912 CA GLU A 58 -7.167 -10.364 -3.777 1.00 12.21 C ATOM 913 C GLU A 58 -8.258 -9.284 -3.840 1.00 4.44 C ATOM 914 O GLU A 58 -8.764 -8.831 -2.810 1.00 34.53 O ATOM 915 CB GLU A 58 -7.794 -11.699 -3.349 1.00 20.50 C ATOM 916 CG GLU A 58 -8.826 -12.233 -4.346 1.00 41.43 C ATOM 917 CD GLU A 58 -9.554 -13.478 -3.854 1.00 3.11 C ATOM 918 OE1 GLU A 58 -8.903 -14.352 -3.240 1.00 54.23 O ATOM 919 OE2 GLU A 58 -10.780 -13.591 -4.088 1.00 63.33 O ATOM 0 H GLU A 58 -6.236 -10.223 -1.889 1.00 53.02 H new ATOM 0 HA GLU A 58 -6.728 -10.479 -4.768 1.00 12.21 H new ATOM 0 HB2 GLU A 58 -7.004 -12.439 -3.224 1.00 20.50 H new ATOM 0 HB3 GLU A 58 -8.270 -11.573 -2.377 1.00 20.50 H new ATOM 0 HG2 GLU A 58 -9.557 -11.452 -4.554 1.00 41.43 H new ATOM 0 HG3 GLU A 58 -8.327 -12.461 -5.288 1.00 41.43 H new ATOM 926 N SER A 59 -8.614 -8.874 -5.055 1.00 14.33 N ATOM 927 CA SER A 59 -9.694 -7.904 -5.267 1.00 22.12 C ATOM 928 C SER A 59 -11.002 -8.621 -5.604 1.00 52.15 C ATOM 929 O SER A 59 -11.046 -9.850 -5.687 1.00 64.11 O ATOM 930 CB SER A 59 -9.345 -6.948 -6.413 1.00 11.02 C ATOM 931 OG SER A 59 -9.409 -7.604 -7.666 1.00 52.54 O ATOM 0 H SER A 59 -8.170 -9.198 -5.914 1.00 14.33 H new ATOM 0 HA SER A 59 -9.816 -7.337 -4.344 1.00 22.12 H new ATOM 0 HB2 SER A 59 -10.033 -6.103 -6.407 1.00 11.02 H new ATOM 0 HB3 SER A 59 -8.344 -6.545 -6.261 1.00 11.02 H new ATOM 0 HG SER A 59 -8.632 -8.192 -7.768 1.00 52.54 H new ATOM 937 N GLN A 60 -12.070 -7.859 -5.818 1.00 32.23 N ATOM 938 CA GLN A 60 -13.358 -8.450 -6.185 1.00 21.30 C ATOM 939 C GLN A 60 -13.446 -8.735 -7.695 1.00 32.21 C ATOM 940 O GLN A 60 -14.435 -9.290 -8.176 1.00 45.33 O ATOM 941 CB GLN A 60 -14.508 -7.555 -5.711 1.00 2.41 C ATOM 942 CG GLN A 60 -14.481 -7.312 -4.201 1.00 53.21 C ATOM 943 CD GLN A 60 -15.757 -6.693 -3.669 1.00 62.33 C ATOM 944 OE1 GLN A 60 -16.684 -7.394 -3.286 1.00 55.23 O ATOM 945 NE2 GLN A 60 -15.811 -5.380 -3.628 1.00 54.45 N ATOM 0 H GLN A 60 -12.073 -6.842 -5.745 1.00 32.23 H new ATOM 0 HA GLN A 60 -13.445 -9.412 -5.680 1.00 21.30 H new ATOM 0 HB2 GLN A 60 -14.456 -6.598 -6.230 1.00 2.41 H new ATOM 0 HB3 GLN A 60 -15.458 -8.015 -5.984 1.00 2.41 H new ATOM 0 HG2 GLN A 60 -14.305 -8.259 -3.691 1.00 53.21 H new ATOM 0 HG3 GLN A 60 -13.642 -6.660 -3.960 1.00 53.21 H new ATOM 0 HE21 GLN A 60 -15.019 -4.827 -3.956 1.00 54.45 H new ATOM 0 HE22 GLN A 60 -16.645 -4.915 -3.268 1.00 54.45 H new ATOM 954 N ILE A 61 -12.393 -8.383 -8.438 1.00 32.55 N ATOM 955 CA ILE A 61 -12.285 -8.773 -9.852 1.00 64.34 C ATOM 956 C ILE A 61 -11.284 -9.929 -10.030 1.00 43.50 C ATOM 957 O ILE A 61 -11.460 -10.786 -10.898 1.00 13.34 O ATOM 958 CB ILE A 61 -11.875 -7.586 -10.769 1.00 43.11 C ATOM 959 CG1 ILE A 61 -10.508 -7.010 -10.362 1.00 74.24 C ATOM 960 CG2 ILE A 61 -12.949 -6.499 -10.750 1.00 62.40 C ATOM 961 CD1 ILE A 61 -10.013 -5.902 -11.270 1.00 2.01 C ATOM 0 H ILE A 61 -11.607 -7.833 -8.090 1.00 32.55 H new ATOM 0 HA ILE A 61 -13.279 -9.101 -10.155 1.00 64.34 H new ATOM 0 HB ILE A 61 -11.784 -7.965 -11.787 1.00 43.11 H new ATOM 0 HG12 ILE A 61 -10.574 -6.629 -9.343 1.00 74.24 H new ATOM 0 HG13 ILE A 61 -9.773 -7.815 -10.354 1.00 74.24 H new ATOM 0 HG21 ILE A 61 -12.645 -5.676 -11.397 1.00 62.40 H new ATOM 0 HG22 ILE A 61 -13.892 -6.913 -11.107 1.00 62.40 H new ATOM 0 HG23 ILE A 61 -13.077 -6.132 -9.732 1.00 62.40 H new ATOM 0 HD11 ILE A 61 -9.044 -5.548 -10.918 1.00 2.01 H new ATOM 0 HD12 ILE A 61 -9.913 -6.282 -12.287 1.00 2.01 H new ATOM 0 HD13 ILE A 61 -10.726 -5.077 -11.260 1.00 2.01 H new ATOM 973 N GLY A 62 -10.250 -9.956 -9.185 1.00 32.33 N ATOM 974 CA GLY A 62 -9.243 -11.016 -9.242 1.00 51.43 C ATOM 975 C GLY A 62 -8.063 -10.769 -8.300 1.00 14.22 C ATOM 976 O GLY A 62 -7.954 -9.703 -7.694 1.00 2.31 O ATOM 0 H GLY A 62 -10.089 -9.259 -8.457 1.00 32.33 H new ATOM 0 HA2 GLY A 62 -9.710 -11.968 -8.989 1.00 51.43 H new ATOM 0 HA3 GLY A 62 -8.873 -11.104 -10.264 1.00 51.43 H new ATOM 980 N THR A 63 -7.174 -11.749 -8.179 1.00 74.45 N ATOM 981 CA THR A 63 -5.998 -11.629 -7.302 1.00 30.41 C ATOM 982 C THR A 63 -4.894 -10.785 -7.957 1.00 4.32 C ATOM 983 O THR A 63 -4.615 -10.925 -9.149 1.00 45.13 O ATOM 984 CB THR A 63 -5.416 -13.016 -6.928 1.00 23.45 C ATOM 985 OG1 THR A 63 -6.401 -13.794 -6.234 1.00 13.41 O ATOM 986 CG2 THR A 63 -4.174 -12.885 -6.049 1.00 0.12 C ATOM 0 H THR A 63 -7.239 -12.638 -8.674 1.00 74.45 H new ATOM 0 HA THR A 63 -6.341 -11.133 -6.394 1.00 30.41 H new ATOM 0 HB THR A 63 -5.134 -13.513 -7.856 1.00 23.45 H new ATOM 0 HG1 THR A 63 -6.024 -14.669 -6.004 1.00 13.41 H new ATOM 0 HG21 THR A 63 -3.793 -13.877 -5.807 1.00 0.12 H new ATOM 0 HG22 THR A 63 -3.408 -12.323 -6.583 1.00 0.12 H new ATOM 0 HG23 THR A 63 -4.433 -12.361 -5.129 1.00 0.12 H new ATOM 994 N LEU A 64 -4.264 -9.918 -7.168 1.00 52.30 N ATOM 995 CA LEU A 64 -3.203 -9.034 -7.665 1.00 40.23 C ATOM 996 C LEU A 64 -2.070 -8.865 -6.634 1.00 63.01 C ATOM 997 O LEU A 64 -2.176 -9.310 -5.493 1.00 55.40 O ATOM 998 CB LEU A 64 -3.806 -7.671 -8.072 1.00 45.14 C ATOM 999 CG LEU A 64 -4.734 -6.997 -7.038 1.00 25.23 C ATOM 1000 CD1 LEU A 64 -3.942 -6.394 -5.877 1.00 53.40 C ATOM 1001 CD2 LEU A 64 -5.606 -5.937 -7.708 1.00 3.23 C ATOM 0 H LEU A 64 -4.469 -9.806 -6.175 1.00 52.30 H new ATOM 0 HA LEU A 64 -2.756 -9.495 -8.546 1.00 40.23 H new ATOM 0 HB2 LEU A 64 -2.987 -6.987 -8.293 1.00 45.14 H new ATOM 0 HB3 LEU A 64 -4.366 -7.807 -8.997 1.00 45.14 H new ATOM 0 HG LEU A 64 -5.383 -7.769 -6.625 1.00 25.23 H new ATOM 0 HD11 LEU A 64 -4.629 -5.929 -5.170 1.00 53.40 H new ATOM 0 HD12 LEU A 64 -3.380 -7.180 -5.373 1.00 53.40 H new ATOM 0 HD13 LEU A 64 -3.251 -5.642 -6.259 1.00 53.40 H new ATOM 0 HD21 LEU A 64 -6.253 -5.474 -6.963 1.00 3.23 H new ATOM 0 HD22 LEU A 64 -4.970 -5.176 -8.160 1.00 3.23 H new ATOM 0 HD23 LEU A 64 -6.218 -6.404 -8.480 1.00 3.23 H new ATOM 1013 N ARG A 65 -0.985 -8.223 -7.052 1.00 43.10 N ATOM 1014 CA ARG A 65 0.179 -7.994 -6.185 1.00 51.13 C ATOM 1015 C ARG A 65 0.605 -6.518 -6.217 1.00 72.22 C ATOM 1016 O ARG A 65 0.953 -5.991 -7.273 1.00 63.54 O ATOM 1017 CB ARG A 65 1.344 -8.887 -6.641 1.00 30.32 C ATOM 1018 CG ARG A 65 2.625 -8.739 -5.816 1.00 64.22 C ATOM 1019 CD ARG A 65 3.815 -8.300 -6.671 1.00 64.44 C ATOM 1020 NE ARG A 65 3.691 -6.915 -7.137 1.00 74.45 N ATOM 1021 CZ ARG A 65 4.672 -6.220 -7.652 1.00 34.01 C ATOM 1022 NH1 ARG A 65 5.843 -6.750 -7.808 1.00 52.30 N ATOM 1023 NH2 ARG A 65 4.475 -4.991 -8.016 1.00 41.01 N ATOM 0 H ARG A 65 -0.881 -7.846 -7.994 1.00 43.10 H new ATOM 0 HA ARG A 65 -0.095 -8.247 -5.161 1.00 51.13 H new ATOM 0 HB2 ARG A 65 1.022 -9.928 -6.604 1.00 30.32 H new ATOM 0 HB3 ARG A 65 1.571 -8.661 -7.683 1.00 30.32 H new ATOM 0 HG2 ARG A 65 2.462 -8.010 -5.022 1.00 64.22 H new ATOM 0 HG3 ARG A 65 2.857 -9.689 -5.334 1.00 64.22 H new ATOM 0 HD2 ARG A 65 4.733 -8.404 -6.092 1.00 64.44 H new ATOM 0 HD3 ARG A 65 3.904 -8.963 -7.532 1.00 64.44 H new ATOM 0 HE ARG A 65 2.780 -6.464 -7.054 1.00 74.45 H new ATOM 0 HH11 ARG A 65 6.006 -7.717 -7.528 1.00 52.30 H new ATOM 0 HH12 ARG A 65 6.602 -6.200 -8.211 1.00 52.30 H new ATOM 0 HH21 ARG A 65 3.555 -4.566 -7.901 1.00 41.01 H new ATOM 0 HH22 ARG A 65 5.240 -4.449 -8.418 1.00 41.01 H new ATOM 1037 N MET A 66 0.602 -5.859 -5.064 1.00 35.50 N ATOM 1038 CA MET A 66 0.952 -4.433 -4.987 1.00 2.22 C ATOM 1039 C MET A 66 2.353 -4.212 -4.387 1.00 10.32 C ATOM 1040 O MET A 66 2.844 -5.028 -3.608 1.00 22.14 O ATOM 1041 CB MET A 66 -0.100 -3.678 -4.168 1.00 14.32 C ATOM 1042 CG MET A 66 -1.473 -3.647 -4.826 1.00 32.42 C ATOM 1043 SD MET A 66 -2.665 -2.669 -3.895 1.00 33.14 S ATOM 1044 CE MET A 66 -4.090 -2.749 -4.979 1.00 25.24 C ATOM 0 H MET A 66 0.363 -6.282 -4.167 1.00 35.50 H new ATOM 0 HA MET A 66 0.969 -4.044 -6.005 1.00 2.22 H new ATOM 0 HB2 MET A 66 -0.187 -4.143 -3.186 1.00 14.32 H new ATOM 0 HB3 MET A 66 0.241 -2.655 -4.008 1.00 14.32 H new ATOM 0 HG2 MET A 66 -1.380 -3.239 -5.832 1.00 32.42 H new ATOM 0 HG3 MET A 66 -1.846 -4.666 -4.929 1.00 32.42 H new ATOM 0 HE1 MET A 66 -4.711 -1.866 -4.830 1.00 25.24 H new ATOM 0 HE2 MET A 66 -3.757 -2.787 -6.016 1.00 25.24 H new ATOM 0 HE3 MET A 66 -4.670 -3.643 -4.752 1.00 25.24 H new ATOM 1054 N SER A 67 2.990 -3.107 -4.774 1.00 51.15 N ATOM 1055 CA SER A 67 4.333 -2.759 -4.278 1.00 75.50 C ATOM 1056 C SER A 67 4.530 -1.239 -4.218 1.00 31.21 C ATOM 1057 O SER A 67 4.042 -0.508 -5.084 1.00 64.44 O ATOM 1058 CB SER A 67 5.415 -3.366 -5.181 1.00 61.24 C ATOM 1059 OG SER A 67 5.316 -2.870 -6.507 1.00 65.14 O ATOM 0 H SER A 67 2.601 -2.432 -5.432 1.00 51.15 H new ATOM 0 HA SER A 67 4.422 -3.167 -3.271 1.00 75.50 H new ATOM 0 HB2 SER A 67 6.401 -3.136 -4.777 1.00 61.24 H new ATOM 0 HB3 SER A 67 5.319 -4.452 -5.188 1.00 61.24 H new ATOM 0 HG SER A 67 6.106 -3.144 -7.018 1.00 65.14 H new ATOM 1065 N LEU A 68 5.246 -0.768 -3.196 1.00 52.15 N ATOM 1066 CA LEU A 68 5.549 0.662 -3.052 1.00 2.34 C ATOM 1067 C LEU A 68 6.942 0.996 -3.609 1.00 53.42 C ATOM 1068 O LEU A 68 7.958 0.759 -2.956 1.00 3.51 O ATOM 1069 CB LEU A 68 5.466 1.083 -1.576 1.00 11.14 C ATOM 1070 CG LEU A 68 4.087 0.916 -0.919 1.00 65.04 C ATOM 1071 CD1 LEU A 68 4.128 1.349 0.541 1.00 71.30 C ATOM 1072 CD2 LEU A 68 3.022 1.701 -1.681 1.00 64.21 C ATOM 0 H LEU A 68 5.628 -1.354 -2.454 1.00 52.15 H new ATOM 0 HA LEU A 68 4.807 1.216 -3.626 1.00 2.34 H new ATOM 0 HB2 LEU A 68 6.193 0.501 -1.009 1.00 11.14 H new ATOM 0 HB3 LEU A 68 5.763 2.129 -1.497 1.00 11.14 H new ATOM 0 HG LEU A 68 3.823 -0.141 -0.956 1.00 65.04 H new ATOM 0 HD11 LEU A 68 3.141 1.222 0.986 1.00 71.30 H new ATOM 0 HD12 LEU A 68 4.851 0.738 1.082 1.00 71.30 H new ATOM 0 HD13 LEU A 68 4.421 2.397 0.602 1.00 71.30 H new ATOM 0 HD21 LEU A 68 2.055 1.567 -1.197 1.00 64.21 H new ATOM 0 HD22 LEU A 68 3.283 2.759 -1.684 1.00 64.21 H new ATOM 0 HD23 LEU A 68 2.967 1.338 -2.707 1.00 64.21 H new ATOM 1084 N VAL A 69 6.984 1.537 -4.821 1.00 44.01 N ATOM 1085 CA VAL A 69 8.250 1.936 -5.450 1.00 5.54 C ATOM 1086 C VAL A 69 8.255 3.439 -5.774 1.00 74.04 C ATOM 1087 O VAL A 69 7.202 4.039 -5.984 1.00 62.14 O ATOM 1088 CB VAL A 69 8.527 1.117 -6.740 1.00 34.52 C ATOM 1089 CG1 VAL A 69 8.716 -0.367 -6.413 1.00 34.23 C ATOM 1090 CG2 VAL A 69 7.404 1.306 -7.759 1.00 43.52 C ATOM 0 H VAL A 69 6.158 1.712 -5.393 1.00 44.01 H new ATOM 0 HA VAL A 69 9.045 1.727 -4.734 1.00 5.54 H new ATOM 0 HB VAL A 69 9.451 1.489 -7.182 1.00 34.52 H new ATOM 0 HG11 VAL A 69 8.909 -0.920 -7.332 1.00 34.23 H new ATOM 0 HG12 VAL A 69 9.561 -0.485 -5.734 1.00 34.23 H new ATOM 0 HG13 VAL A 69 7.813 -0.753 -5.940 1.00 34.23 H new ATOM 0 HG21 VAL A 69 7.622 0.722 -8.653 1.00 43.52 H new ATOM 0 HG22 VAL A 69 6.461 0.971 -7.328 1.00 43.52 H new ATOM 0 HG23 VAL A 69 7.327 2.360 -8.024 1.00 43.52 H new ATOM 1100 N ASN A 70 9.446 4.038 -5.808 1.00 1.51 N ATOM 1101 CA ASN A 70 9.601 5.485 -6.027 1.00 15.55 C ATOM 1102 C ASN A 70 8.826 6.293 -4.971 1.00 5.41 C ATOM 1103 O ASN A 70 7.741 6.811 -5.239 1.00 11.32 O ATOM 1104 CB ASN A 70 9.139 5.892 -7.435 1.00 0.25 C ATOM 1105 CG ASN A 70 9.754 5.030 -8.521 1.00 61.34 C ATOM 1106 OD1 ASN A 70 9.050 3.990 -8.915 1.00 74.21 O flip ATOM 1107 ND2 ASN A 70 10.849 5.296 -9.003 1.00 23.22 N flip ATOM 0 H ASN A 70 10.328 3.541 -5.686 1.00 1.51 H new ATOM 0 HA ASN A 70 10.663 5.711 -5.932 1.00 15.55 H new ATOM 0 HB2 ASN A 70 8.053 5.822 -7.492 1.00 0.25 H new ATOM 0 HB3 ASN A 70 9.401 6.935 -7.612 1.00 0.25 H new ATOM 0 HD21 ASN A 70 11.367 6.110 -8.673 1.00 23.22 H new ATOM 0 HD22 ASN A 70 11.242 4.703 -9.734 1.00 23.22 H new ATOM 1114 N ILE A 71 9.375 6.371 -3.763 1.00 53.21 N ATOM 1115 CA ILE A 71 8.716 7.069 -2.651 1.00 54.33 C ATOM 1116 C ILE A 71 9.446 8.375 -2.297 1.00 10.13 C ATOM 1117 O ILE A 71 10.511 8.352 -1.679 1.00 72.13 O ATOM 1118 CB ILE A 71 8.647 6.164 -1.392 1.00 42.23 C ATOM 1119 CG1 ILE A 71 8.036 4.796 -1.746 1.00 35.44 C ATOM 1120 CG2 ILE A 71 7.841 6.845 -0.283 1.00 72.21 C ATOM 1121 CD1 ILE A 71 7.994 3.822 -0.588 1.00 21.30 C ATOM 0 H ILE A 71 10.277 5.960 -3.523 1.00 53.21 H new ATOM 0 HA ILE A 71 7.704 7.309 -2.978 1.00 54.33 H new ATOM 0 HB ILE A 71 9.661 6.003 -1.027 1.00 42.23 H new ATOM 0 HG12 ILE A 71 7.022 4.947 -2.117 1.00 35.44 H new ATOM 0 HG13 ILE A 71 8.610 4.353 -2.560 1.00 35.44 H new ATOM 0 HG21 ILE A 71 7.804 6.195 0.591 1.00 72.21 H new ATOM 0 HG22 ILE A 71 8.317 7.788 -0.014 1.00 72.21 H new ATOM 0 HG23 ILE A 71 6.828 7.037 -0.635 1.00 72.21 H new ATOM 0 HD11 ILE A 71 7.550 2.883 -0.918 1.00 21.30 H new ATOM 0 HD12 ILE A 71 9.007 3.638 -0.230 1.00 21.30 H new ATOM 0 HD13 ILE A 71 7.394 4.242 0.219 1.00 21.30 H new ATOM 1133 N THR A 72 8.876 9.509 -2.699 1.00 73.11 N ATOM 1134 CA THR A 72 9.463 10.828 -2.398 1.00 71.43 C ATOM 1135 C THR A 72 8.426 11.787 -1.792 1.00 64.14 C ATOM 1136 O THR A 72 7.226 11.667 -2.049 1.00 2.20 O ATOM 1137 CB THR A 72 10.097 11.478 -3.657 1.00 12.40 C ATOM 1138 OG1 THR A 72 9.211 11.376 -4.779 1.00 31.14 O ATOM 1139 CG2 THR A 72 11.437 10.833 -3.994 1.00 2.52 C ATOM 0 H THR A 72 8.009 9.549 -3.234 1.00 73.11 H new ATOM 0 HA THR A 72 10.249 10.653 -1.663 1.00 71.43 H new ATOM 0 HB THR A 72 10.268 12.531 -3.435 1.00 12.40 H new ATOM 0 HG1 THR A 72 9.626 11.792 -5.563 1.00 31.14 H new ATOM 0 HG21 THR A 72 11.857 11.309 -4.880 1.00 2.52 H new ATOM 0 HG22 THR A 72 12.122 10.958 -3.156 1.00 2.52 H new ATOM 0 HG23 THR A 72 11.291 9.770 -4.188 1.00 2.52 H new ATOM 1147 N PRO A 73 8.881 12.760 -0.973 1.00 64.43 N ATOM 1148 CA PRO A 73 7.984 13.692 -0.262 1.00 62.31 C ATOM 1149 C PRO A 73 7.135 14.574 -1.198 1.00 1.13 C ATOM 1150 O PRO A 73 7.400 14.684 -2.396 1.00 53.44 O ATOM 1151 CB PRO A 73 8.947 14.553 0.572 1.00 14.41 C ATOM 1152 CG PRO A 73 10.271 14.421 -0.107 1.00 42.03 C ATOM 1153 CD PRO A 73 10.302 13.034 -0.682 1.00 13.10 C ATOM 0 HA PRO A 73 7.245 13.150 0.329 1.00 62.31 H new ATOM 0 HB2 PRO A 73 8.621 15.593 0.602 1.00 14.41 H new ATOM 0 HB3 PRO A 73 8.996 14.204 1.603 1.00 14.41 H new ATOM 0 HG2 PRO A 73 10.385 15.171 -0.890 1.00 42.03 H new ATOM 0 HG3 PRO A 73 11.088 14.570 0.599 1.00 42.03 H new ATOM 0 HD2 PRO A 73 10.915 12.985 -1.582 1.00 13.10 H new ATOM 0 HD3 PRO A 73 10.715 12.314 0.024 1.00 13.10 H new ATOM 1161 N ASP A 74 6.113 15.206 -0.630 1.00 40.11 N ATOM 1162 CA ASP A 74 5.183 16.050 -1.387 1.00 73.23 C ATOM 1163 C ASP A 74 4.827 17.318 -0.589 1.00 52.10 C ATOM 1164 O ASP A 74 5.174 17.435 0.587 1.00 3.03 O ATOM 1165 CB ASP A 74 3.918 15.240 -1.716 1.00 45.34 C ATOM 1166 CG ASP A 74 2.879 16.033 -2.487 1.00 33.22 C ATOM 1167 OD1 ASP A 74 3.112 16.328 -3.681 1.00 4.20 O ATOM 1168 OD2 ASP A 74 1.836 16.383 -1.899 1.00 3.12 O ATOM 0 H ASP A 74 5.903 15.150 0.367 1.00 40.11 H new ATOM 0 HA ASP A 74 5.658 16.366 -2.316 1.00 73.23 H new ATOM 0 HB2 ASP A 74 4.199 14.362 -2.297 1.00 45.34 H new ATOM 0 HB3 ASP A 74 3.474 14.880 -0.788 1.00 45.34 H new ATOM 1173 N ALA A 75 4.148 18.269 -1.236 1.00 2.11 N ATOM 1174 CA ALA A 75 3.715 19.505 -0.576 1.00 33.04 C ATOM 1175 C ALA A 75 2.801 19.222 0.628 1.00 62.02 C ATOM 1176 O ALA A 75 2.962 19.822 1.696 1.00 33.45 O ATOM 1177 CB ALA A 75 3.007 20.415 -1.573 1.00 40.10 C ATOM 0 H ALA A 75 3.885 18.207 -2.220 1.00 2.11 H new ATOM 0 HA ALA A 75 4.607 20.007 -0.201 1.00 33.04 H new ATOM 0 HB1 ALA A 75 2.691 21.329 -1.070 1.00 40.10 H new ATOM 0 HB2 ALA A 75 3.689 20.665 -2.385 1.00 40.10 H new ATOM 0 HB3 ALA A 75 2.134 19.902 -1.977 1.00 40.10 H new ATOM 1183 N ASP A 76 1.842 18.312 0.453 1.00 61.03 N ATOM 1184 CA ASP A 76 0.915 17.947 1.532 1.00 2.22 C ATOM 1185 C ASP A 76 1.432 16.761 2.366 1.00 74.33 C ATOM 1186 O ASP A 76 1.162 16.672 3.569 1.00 11.40 O ATOM 1187 CB ASP A 76 -0.466 17.619 0.958 1.00 4.04 C ATOM 1188 CG ASP A 76 -1.140 18.837 0.352 1.00 71.52 C ATOM 1189 OD1 ASP A 76 -1.445 19.784 1.110 1.00 62.34 O ATOM 1190 OD2 ASP A 76 -1.377 18.854 -0.871 1.00 32.04 O ATOM 0 H ASP A 76 1.685 17.813 -0.423 1.00 61.03 H new ATOM 0 HA ASP A 76 0.839 18.808 2.196 1.00 2.22 H new ATOM 0 HB2 ASP A 76 -0.367 16.845 0.197 1.00 4.04 H new ATOM 0 HB3 ASP A 76 -1.098 17.211 1.747 1.00 4.04 H new ATOM 1195 N GLY A 77 2.167 15.850 1.732 1.00 31.23 N ATOM 1196 CA GLY A 77 2.679 14.681 2.444 1.00 64.24 C ATOM 1197 C GLY A 77 3.757 13.914 1.680 1.00 54.04 C ATOM 1198 O GLY A 77 4.917 14.325 1.653 1.00 5.14 O ATOM 0 H GLY A 77 2.418 15.896 0.744 1.00 31.23 H new ATOM 0 HA2 GLY A 77 3.086 15.001 3.403 1.00 64.24 H new ATOM 0 HA3 GLY A 77 1.850 14.007 2.658 1.00 64.24 H new ATOM 1202 N THR A 78 3.378 12.793 1.061 1.00 60.22 N ATOM 1203 CA THR A 78 4.333 11.936 0.340 1.00 75.24 C ATOM 1204 C THR A 78 3.702 11.298 -0.908 1.00 71.13 C ATOM 1205 O THR A 78 2.575 10.800 -0.867 1.00 32.23 O ATOM 1206 CB THR A 78 4.869 10.806 1.253 1.00 61.32 C ATOM 1207 OG1 THR A 78 5.488 11.367 2.420 1.00 52.12 O ATOM 1208 CG2 THR A 78 5.879 9.925 0.518 1.00 45.14 C ATOM 0 H THR A 78 2.416 12.454 1.043 1.00 60.22 H new ATOM 0 HA THR A 78 5.154 12.584 0.032 1.00 75.24 H new ATOM 0 HB THR A 78 4.021 10.187 1.546 1.00 61.32 H new ATOM 0 HG1 THR A 78 4.799 11.741 3.008 1.00 52.12 H new ATOM 0 HG21 THR A 78 6.235 9.142 1.188 1.00 45.14 H new ATOM 0 HG22 THR A 78 5.401 9.470 -0.350 1.00 45.14 H new ATOM 0 HG23 THR A 78 6.722 10.533 0.191 1.00 45.14 H new ATOM 1216 N THR A 79 4.440 11.311 -2.015 1.00 30.55 N ATOM 1217 CA THR A 79 3.989 10.690 -3.270 1.00 73.20 C ATOM 1218 C THR A 79 4.812 9.437 -3.595 1.00 41.21 C ATOM 1219 O THR A 79 6.042 9.458 -3.530 1.00 40.45 O ATOM 1220 CB THR A 79 4.100 11.670 -4.464 1.00 0.32 C ATOM 1221 OG1 THR A 79 5.443 12.172 -4.573 1.00 14.21 O ATOM 1222 CG2 THR A 79 3.122 12.834 -4.315 1.00 34.52 C ATOM 0 H THR A 79 5.360 11.747 -2.074 1.00 30.55 H new ATOM 0 HA THR A 79 2.944 10.418 -3.122 1.00 73.20 H new ATOM 0 HB THR A 79 3.846 11.122 -5.372 1.00 0.32 H new ATOM 0 HG1 THR A 79 6.073 11.495 -4.249 1.00 14.21 H new ATOM 0 HG21 THR A 79 3.223 13.505 -5.168 1.00 34.52 H new ATOM 0 HG22 THR A 79 2.103 12.450 -4.274 1.00 34.52 H new ATOM 0 HG23 THR A 79 3.342 13.379 -3.397 1.00 34.52 H new ATOM 1230 N LEU A 80 4.129 8.350 -3.950 1.00 61.52 N ATOM 1231 CA LEU A 80 4.801 7.088 -4.290 1.00 32.40 C ATOM 1232 C LEU A 80 4.102 6.355 -5.450 1.00 73.20 C ATOM 1233 O LEU A 80 2.936 6.611 -5.751 1.00 71.45 O ATOM 1234 CB LEU A 80 4.904 6.184 -3.043 1.00 1.01 C ATOM 1235 CG LEU A 80 3.613 5.999 -2.216 1.00 33.34 C ATOM 1236 CD1 LEU A 80 2.616 5.086 -2.926 1.00 12.10 C ATOM 1237 CD2 LEU A 80 3.944 5.460 -0.824 1.00 43.23 C ATOM 0 H LEU A 80 3.111 8.313 -4.011 1.00 61.52 H new ATOM 0 HA LEU A 80 5.808 7.330 -4.631 1.00 32.40 H new ATOM 0 HB2 LEU A 80 5.248 5.200 -3.363 1.00 1.01 H new ATOM 0 HB3 LEU A 80 5.673 6.593 -2.388 1.00 1.01 H new ATOM 0 HG LEU A 80 3.143 6.977 -2.110 1.00 33.34 H new ATOM 0 HD11 LEU A 80 1.720 4.980 -2.314 1.00 12.10 H new ATOM 0 HD12 LEU A 80 2.348 5.520 -3.889 1.00 12.10 H new ATOM 0 HD13 LEU A 80 3.067 4.106 -3.082 1.00 12.10 H new ATOM 0 HD21 LEU A 80 3.023 5.335 -0.254 1.00 43.23 H new ATOM 0 HD22 LEU A 80 4.447 4.497 -0.917 1.00 43.23 H new ATOM 0 HD23 LEU A 80 4.598 6.163 -0.308 1.00 43.23 H new ATOM 1249 N THR A 81 4.824 5.449 -6.101 1.00 52.11 N ATOM 1250 CA THR A 81 4.269 4.663 -7.216 1.00 64.24 C ATOM 1251 C THR A 81 3.806 3.277 -6.750 1.00 41.24 C ATOM 1252 O THR A 81 4.615 2.438 -6.350 1.00 65.12 O ATOM 1253 CB THR A 81 5.298 4.493 -8.363 1.00 52.41 C ATOM 1254 OG1 THR A 81 5.556 5.757 -8.992 1.00 14.52 O ATOM 1255 CG2 THR A 81 4.816 3.492 -9.414 1.00 31.34 C ATOM 0 H THR A 81 5.797 5.235 -5.881 1.00 52.11 H new ATOM 0 HA THR A 81 3.410 5.221 -7.589 1.00 64.24 H new ATOM 0 HB THR A 81 6.216 4.107 -7.920 1.00 52.41 H new ATOM 0 HG1 THR A 81 6.208 5.636 -9.713 1.00 14.52 H new ATOM 0 HG21 THR A 81 5.565 3.401 -10.201 1.00 31.34 H new ATOM 0 HG22 THR A 81 4.661 2.520 -8.946 1.00 31.34 H new ATOM 0 HG23 THR A 81 3.878 3.841 -9.845 1.00 31.34 H new ATOM 1263 N LEU A 82 2.500 3.046 -6.803 1.00 53.23 N ATOM 1264 CA LEU A 82 1.919 1.753 -6.437 1.00 63.34 C ATOM 1265 C LEU A 82 1.779 0.861 -7.687 1.00 2.12 C ATOM 1266 O LEU A 82 0.958 1.135 -8.566 1.00 35.31 O ATOM 1267 CB LEU A 82 0.551 1.988 -5.752 1.00 23.14 C ATOM 1268 CG LEU A 82 -0.077 0.786 -5.006 1.00 71.41 C ATOM 1269 CD1 LEU A 82 -0.667 -0.236 -5.971 1.00 13.32 C ATOM 1270 CD2 LEU A 82 0.943 0.121 -4.085 1.00 73.45 C ATOM 0 H LEU A 82 1.815 3.742 -7.098 1.00 53.23 H new ATOM 0 HA LEU A 82 2.574 1.235 -5.736 1.00 63.34 H new ATOM 0 HB2 LEU A 82 0.664 2.806 -5.041 1.00 23.14 H new ATOM 0 HB3 LEU A 82 -0.156 2.322 -6.512 1.00 23.14 H new ATOM 0 HG LEU A 82 -0.893 1.177 -4.398 1.00 71.41 H new ATOM 0 HD11 LEU A 82 -1.097 -1.063 -5.407 1.00 13.32 H new ATOM 0 HD12 LEU A 82 -1.444 0.237 -6.571 1.00 13.32 H new ATOM 0 HD13 LEU A 82 0.118 -0.613 -6.626 1.00 13.32 H new ATOM 0 HD21 LEU A 82 0.476 -0.720 -3.573 1.00 73.45 H new ATOM 0 HD22 LEU A 82 1.787 -0.236 -4.675 1.00 73.45 H new ATOM 0 HD23 LEU A 82 1.295 0.844 -3.349 1.00 73.45 H new ATOM 1282 N ARG A 83 2.597 -0.191 -7.776 1.00 42.12 N ATOM 1283 CA ARG A 83 2.577 -1.093 -8.941 1.00 32.32 C ATOM 1284 C ARG A 83 1.771 -2.376 -8.677 1.00 74.24 C ATOM 1285 O ARG A 83 2.081 -3.151 -7.767 1.00 42.33 O ATOM 1286 CB ARG A 83 4.007 -1.451 -9.379 1.00 45.15 C ATOM 1287 CG ARG A 83 4.709 -0.326 -10.129 1.00 70.14 C ATOM 1288 CD ARG A 83 6.031 -0.775 -10.739 1.00 53.34 C ATOM 1289 NE ARG A 83 6.551 0.207 -11.686 1.00 32.33 N ATOM 1290 CZ ARG A 83 7.647 0.053 -12.378 1.00 33.41 C ATOM 1291 NH1 ARG A 83 8.405 -0.982 -12.199 1.00 45.12 N ATOM 1292 NH2 ARG A 83 7.998 0.956 -13.229 1.00 1.34 N ATOM 0 H ARG A 83 3.280 -0.442 -7.061 1.00 42.12 H new ATOM 0 HA ARG A 83 2.079 -0.553 -9.746 1.00 32.32 H new ATOM 0 HB2 ARG A 83 4.594 -1.713 -8.499 1.00 45.15 H new ATOM 0 HB3 ARG A 83 3.974 -2.336 -10.014 1.00 45.15 H new ATOM 0 HG2 ARG A 83 4.055 0.045 -10.918 1.00 70.14 H new ATOM 0 HG3 ARG A 83 4.890 0.505 -9.447 1.00 70.14 H new ATOM 0 HD2 ARG A 83 6.761 -0.937 -9.946 1.00 53.34 H new ATOM 0 HD3 ARG A 83 5.892 -1.730 -11.245 1.00 53.34 H new ATOM 0 HE ARG A 83 6.023 1.070 -11.815 1.00 32.33 H new ATOM 0 HH11 ARG A 83 8.148 -1.689 -11.510 1.00 45.12 H new ATOM 0 HH12 ARG A 83 9.259 -1.090 -12.747 1.00 45.12 H new ATOM 0 HH21 ARG A 83 7.420 1.786 -13.359 1.00 1.34 H new ATOM 0 HH22 ARG A 83 8.854 0.840 -13.772 1.00 1.34 H new ATOM 1306 N ILE A 84 0.750 -2.600 -9.508 1.00 12.12 N ATOM 1307 CA ILE A 84 -0.133 -3.761 -9.391 1.00 31.02 C ATOM 1308 C ILE A 84 0.173 -4.810 -10.474 1.00 42.41 C ATOM 1309 O ILE A 84 0.033 -4.534 -11.665 1.00 74.24 O ATOM 1310 CB ILE A 84 -1.627 -3.359 -9.534 1.00 1.53 C ATOM 1311 CG1 ILE A 84 -1.986 -2.162 -8.626 1.00 24.14 C ATOM 1312 CG2 ILE A 84 -2.528 -4.552 -9.229 1.00 32.55 C ATOM 1313 CD1 ILE A 84 -1.627 -0.810 -9.214 1.00 22.23 C ATOM 0 H ILE A 84 0.513 -1.980 -10.282 1.00 12.12 H new ATOM 0 HA ILE A 84 0.047 -4.180 -8.401 1.00 31.02 H new ATOM 0 HB ILE A 84 -1.790 -3.047 -10.566 1.00 1.53 H new ATOM 0 HG12 ILE A 84 -3.056 -2.184 -8.420 1.00 24.14 H new ATOM 0 HG13 ILE A 84 -1.475 -2.278 -7.670 1.00 24.14 H new ATOM 0 HG21 ILE A 84 -3.572 -4.256 -9.333 1.00 32.55 H new ATOM 0 HG22 ILE A 84 -2.309 -5.361 -9.926 1.00 32.55 H new ATOM 0 HG23 ILE A 84 -2.348 -4.893 -8.210 1.00 32.55 H new ATOM 0 HD11 ILE A 84 -1.911 -0.023 -8.516 1.00 22.23 H new ATOM 0 HD12 ILE A 84 -0.553 -0.765 -9.394 1.00 22.23 H new ATOM 0 HD13 ILE A 84 -2.159 -0.670 -10.155 1.00 22.23 H new ATOM 1325 N GLN A 85 0.590 -6.003 -10.058 1.00 44.04 N ATOM 1326 CA GLN A 85 0.762 -7.135 -10.981 1.00 22.44 C ATOM 1327 C GLN A 85 -0.280 -8.226 -10.691 1.00 24.44 C ATOM 1328 O GLN A 85 -0.304 -8.799 -9.600 1.00 11.31 O ATOM 1329 CB GLN A 85 2.180 -7.719 -10.882 1.00 74.15 C ATOM 1330 CG GLN A 85 3.275 -6.765 -11.347 1.00 32.45 C ATOM 1331 CD GLN A 85 4.643 -7.427 -11.397 1.00 12.13 C ATOM 1332 OE1 GLN A 85 5.388 -7.420 -10.427 1.00 23.13 O ATOM 1333 NE2 GLN A 85 4.980 -8.014 -12.528 1.00 1.03 N ATOM 0 H GLN A 85 0.817 -6.217 -9.087 1.00 44.04 H new ATOM 0 HA GLN A 85 0.615 -6.766 -11.996 1.00 22.44 H new ATOM 0 HB2 GLN A 85 2.374 -8.003 -9.848 1.00 74.15 H new ATOM 0 HB3 GLN A 85 2.229 -8.631 -11.477 1.00 74.15 H new ATOM 0 HG2 GLN A 85 3.023 -6.383 -12.337 1.00 32.45 H new ATOM 0 HG3 GLN A 85 3.314 -5.908 -10.675 1.00 32.45 H new ATOM 0 HE21 GLN A 85 4.337 -8.003 -13.320 1.00 1.03 H new ATOM 0 HE22 GLN A 85 5.884 -8.479 -12.612 1.00 1.03 H new ATOM 1342 N GLY A 86 -1.141 -8.501 -11.664 1.00 14.32 N ATOM 1343 CA GLY A 86 -2.217 -9.468 -11.472 1.00 54.31 C ATOM 1344 C GLY A 86 -1.747 -10.923 -11.493 1.00 11.13 C ATOM 1345 O GLY A 86 -0.853 -11.284 -12.257 1.00 30.54 O ATOM 0 H GLY A 86 -1.116 -8.071 -12.589 1.00 14.32 H new ATOM 0 HA2 GLY A 86 -2.708 -9.268 -10.520 1.00 54.31 H new ATOM 0 HA3 GLY A 86 -2.965 -9.326 -12.252 1.00 54.31 H new ATOM 1349 N GLU A 87 -2.352 -11.752 -10.642 1.00 32.32 N ATOM 1350 CA GLU A 87 -2.070 -13.194 -10.617 1.00 41.13 C ATOM 1351 C GLU A 87 -2.542 -13.842 -11.927 1.00 40.20 C ATOM 1352 O GLU A 87 -1.828 -14.641 -12.541 1.00 25.30 O ATOM 1353 CB GLU A 87 -2.754 -13.833 -9.391 1.00 43.54 C ATOM 1354 CG GLU A 87 -2.363 -15.287 -9.106 1.00 64.30 C ATOM 1355 CD GLU A 87 -3.143 -16.300 -9.935 1.00 3.21 C ATOM 1356 OE1 GLU A 87 -4.374 -16.403 -9.750 1.00 74.34 O ATOM 1357 OE2 GLU A 87 -2.527 -17.019 -10.748 1.00 52.04 O ATOM 0 H GLU A 87 -3.044 -11.451 -9.956 1.00 32.32 H new ATOM 0 HA GLU A 87 -0.996 -13.359 -10.531 1.00 41.13 H new ATOM 0 HB2 GLU A 87 -2.521 -13.232 -8.512 1.00 43.54 H new ATOM 0 HB3 GLU A 87 -3.834 -13.786 -9.532 1.00 43.54 H new ATOM 0 HG2 GLU A 87 -1.298 -15.413 -9.301 1.00 64.30 H new ATOM 0 HG3 GLU A 87 -2.521 -15.497 -8.048 1.00 64.30 H new ATOM 1364 N SER A 88 -3.744 -13.470 -12.359 1.00 3.33 N ATOM 1365 CA SER A 88 -4.270 -13.900 -13.658 1.00 41.45 C ATOM 1366 C SER A 88 -3.475 -13.266 -14.806 1.00 34.32 C ATOM 1367 O SER A 88 -3.354 -12.043 -14.893 1.00 32.12 O ATOM 1368 CB SER A 88 -5.754 -13.531 -13.794 1.00 41.33 C ATOM 1369 OG SER A 88 -6.546 -14.171 -12.802 1.00 33.03 O ATOM 0 H SER A 88 -4.376 -12.870 -11.829 1.00 3.33 H new ATOM 0 HA SER A 88 -4.168 -14.984 -13.714 1.00 41.45 H new ATOM 0 HB2 SER A 88 -5.870 -12.450 -13.711 1.00 41.33 H new ATOM 0 HB3 SER A 88 -6.111 -13.815 -14.784 1.00 41.33 H new ATOM 0 HG SER A 88 -7.485 -13.913 -12.916 1.00 33.03 H new ATOM 1375 N ASN A 89 -2.940 -14.106 -15.691 1.00 70.21 N ATOM 1376 CA ASN A 89 -2.146 -13.631 -16.833 1.00 72.30 C ATOM 1377 C ASN A 89 -3.020 -12.889 -17.856 1.00 51.14 C ATOM 1378 O ASN A 89 -2.513 -12.185 -18.729 1.00 43.14 O ATOM 1379 CB ASN A 89 -1.440 -14.811 -17.510 1.00 55.21 C ATOM 1380 CG ASN A 89 -0.602 -15.616 -16.534 1.00 32.42 C ATOM 1381 OD1 ASN A 89 0.581 -15.356 -16.342 1.00 11.03 O ATOM 1382 ND2 ASN A 89 -1.208 -16.607 -15.908 1.00 53.30 N ATOM 0 H ASN A 89 -3.040 -15.120 -15.643 1.00 70.21 H new ATOM 0 HA ASN A 89 -1.402 -12.931 -16.454 1.00 72.30 H new ATOM 0 HB2 ASN A 89 -2.184 -15.462 -17.970 1.00 55.21 H new ATOM 0 HB3 ASN A 89 -0.803 -14.439 -18.312 1.00 55.21 H new ATOM 0 HD21 ASN A 89 -0.691 -17.182 -15.243 1.00 53.30 H new ATOM 0 HD22 ASN A 89 -2.193 -16.798 -16.089 1.00 53.30 H new ATOM 1389 N ASP A 90 -4.332 -13.066 -17.744 1.00 64.13 N ATOM 1390 CA ASP A 90 -5.299 -12.411 -18.632 1.00 32.44 C ATOM 1391 C ASP A 90 -5.643 -10.978 -18.154 1.00 40.42 C ATOM 1392 O ASP A 90 -5.522 -10.666 -16.968 1.00 71.43 O ATOM 1393 CB ASP A 90 -6.564 -13.280 -18.745 1.00 13.43 C ATOM 1394 CG ASP A 90 -6.957 -13.922 -17.424 1.00 72.42 C ATOM 1395 OD1 ASP A 90 -6.340 -14.949 -17.052 1.00 71.35 O ATOM 1396 OD2 ASP A 90 -7.881 -13.420 -16.758 1.00 14.43 O ATOM 0 H ASP A 90 -4.759 -13.665 -17.038 1.00 64.13 H new ATOM 0 HA ASP A 90 -4.847 -12.310 -19.619 1.00 32.44 H new ATOM 0 HB2 ASP A 90 -7.390 -12.667 -19.106 1.00 13.43 H new ATOM 0 HB3 ASP A 90 -6.398 -14.060 -19.488 1.00 13.43 H new ATOM 1401 N PRO A 91 -6.068 -10.088 -19.082 1.00 74.34 N ATOM 1402 CA PRO A 91 -6.339 -8.663 -18.771 1.00 33.54 C ATOM 1403 C PRO A 91 -7.522 -8.439 -17.801 1.00 70.35 C ATOM 1404 O PRO A 91 -8.616 -8.982 -17.988 1.00 41.25 O ATOM 1405 CB PRO A 91 -6.647 -8.055 -20.150 1.00 43.24 C ATOM 1406 CG PRO A 91 -7.106 -9.205 -20.979 1.00 3.12 C ATOM 1407 CD PRO A 91 -6.312 -10.392 -20.507 1.00 64.53 C ATOM 0 HA PRO A 91 -5.494 -8.209 -18.254 1.00 33.54 H new ATOM 0 HB2 PRO A 91 -7.416 -7.286 -20.080 1.00 43.24 H new ATOM 0 HB3 PRO A 91 -5.763 -7.584 -20.581 1.00 43.24 H new ATOM 0 HG2 PRO A 91 -8.175 -9.375 -20.854 1.00 3.12 H new ATOM 0 HG3 PRO A 91 -6.935 -9.016 -22.039 1.00 3.12 H new ATOM 0 HD2 PRO A 91 -6.866 -11.323 -20.631 1.00 64.53 H new ATOM 0 HD3 PRO A 91 -5.380 -10.499 -21.061 1.00 64.53 H new ATOM 1415 N LEU A 92 -7.288 -7.624 -16.769 1.00 5.33 N ATOM 1416 CA LEU A 92 -8.316 -7.282 -15.775 1.00 73.54 C ATOM 1417 C LEU A 92 -8.876 -5.864 -16.011 1.00 31.42 C ATOM 1418 O LEU A 92 -8.180 -4.991 -16.538 1.00 50.14 O ATOM 1419 CB LEU A 92 -7.728 -7.381 -14.354 1.00 23.34 C ATOM 1420 CG LEU A 92 -7.186 -8.767 -13.956 1.00 12.23 C ATOM 1421 CD1 LEU A 92 -6.581 -8.730 -12.553 1.00 42.24 C ATOM 1422 CD2 LEU A 92 -8.285 -9.827 -14.041 1.00 32.54 C ATOM 0 H LEU A 92 -6.385 -7.183 -16.597 1.00 5.33 H new ATOM 0 HA LEU A 92 -9.136 -7.993 -15.881 1.00 73.54 H new ATOM 0 HB2 LEU A 92 -6.921 -6.654 -14.262 1.00 23.34 H new ATOM 0 HB3 LEU A 92 -8.499 -7.093 -13.640 1.00 23.34 H new ATOM 0 HG LEU A 92 -6.399 -9.036 -14.661 1.00 12.23 H new ATOM 0 HD11 LEU A 92 -6.205 -9.719 -12.293 1.00 42.24 H new ATOM 0 HD12 LEU A 92 -5.761 -8.012 -12.529 1.00 42.24 H new ATOM 0 HD13 LEU A 92 -7.345 -8.432 -11.835 1.00 42.24 H new ATOM 0 HD21 LEU A 92 -7.878 -10.797 -13.755 1.00 32.54 H new ATOM 0 HD22 LEU A 92 -9.099 -9.562 -13.366 1.00 32.54 H new ATOM 0 HD23 LEU A 92 -8.663 -9.879 -15.062 1.00 32.54 H new ATOM 1434 N PRO A 93 -10.147 -5.613 -15.622 1.00 32.44 N ATOM 1435 CA PRO A 93 -10.779 -4.287 -15.781 1.00 64.24 C ATOM 1436 C PRO A 93 -10.281 -3.249 -14.755 1.00 72.23 C ATOM 1437 O PRO A 93 -9.517 -3.571 -13.846 1.00 23.05 O ATOM 1438 CB PRO A 93 -12.267 -4.590 -15.564 1.00 62.44 C ATOM 1439 CG PRO A 93 -12.277 -5.765 -14.642 1.00 74.23 C ATOM 1440 CD PRO A 93 -11.071 -6.593 -15.010 1.00 73.43 C ATOM 0 HA PRO A 93 -10.547 -3.841 -16.748 1.00 64.24 H new ATOM 0 HB2 PRO A 93 -12.786 -3.737 -15.126 1.00 62.44 H new ATOM 0 HB3 PRO A 93 -12.767 -4.819 -16.505 1.00 62.44 H new ATOM 0 HG2 PRO A 93 -12.227 -5.445 -13.601 1.00 74.23 H new ATOM 0 HG3 PRO A 93 -13.195 -6.342 -14.755 1.00 74.23 H new ATOM 0 HD2 PRO A 93 -10.629 -7.068 -14.134 1.00 73.43 H new ATOM 0 HD3 PRO A 93 -11.330 -7.389 -15.708 1.00 73.43 H new ATOM 1448 N ALA A 94 -10.733 -2.000 -14.907 1.00 23.20 N ATOM 1449 CA ALA A 94 -10.322 -0.905 -14.011 1.00 12.54 C ATOM 1450 C ALA A 94 -10.844 -1.106 -12.576 1.00 23.54 C ATOM 1451 O ALA A 94 -12.022 -1.416 -12.363 1.00 15.14 O ATOM 1452 CB ALA A 94 -10.794 0.436 -14.567 1.00 22.51 C ATOM 0 H ALA A 94 -11.383 -1.718 -15.641 1.00 23.20 H new ATOM 0 HA ALA A 94 -9.233 -0.911 -13.963 1.00 12.54 H new ATOM 0 HB1 ALA A 94 -10.484 1.237 -13.896 1.00 22.51 H new ATOM 0 HB2 ALA A 94 -10.355 0.597 -15.551 1.00 22.51 H new ATOM 0 HB3 ALA A 94 -11.881 0.433 -14.651 1.00 22.51 H new ATOM 1458 N PHE A 95 -9.967 -0.899 -11.596 1.00 31.42 N ATOM 1459 CA PHE A 95 -10.295 -1.152 -10.188 1.00 40.15 C ATOM 1460 C PHE A 95 -9.885 0.023 -9.280 1.00 61.25 C ATOM 1461 O PHE A 95 -8.989 0.803 -9.605 1.00 20.25 O ATOM 1462 CB PHE A 95 -9.613 -2.446 -9.718 1.00 63.24 C ATOM 1463 CG PHE A 95 -8.111 -2.434 -9.882 1.00 41.11 C ATOM 1464 CD1 PHE A 95 -7.533 -2.762 -11.102 1.00 43.33 C ATOM 1465 CD2 PHE A 95 -7.281 -2.089 -8.824 1.00 12.41 C ATOM 1466 CE1 PHE A 95 -6.162 -2.746 -11.260 1.00 12.41 C ATOM 1467 CE2 PHE A 95 -5.908 -2.073 -8.979 1.00 70.50 C ATOM 1468 CZ PHE A 95 -5.348 -2.402 -10.201 1.00 44.04 C ATOM 0 H PHE A 95 -9.019 -0.555 -11.749 1.00 31.42 H new ATOM 0 HA PHE A 95 -11.377 -1.260 -10.114 1.00 40.15 H new ATOM 0 HB2 PHE A 95 -9.854 -2.613 -8.668 1.00 63.24 H new ATOM 0 HB3 PHE A 95 -10.024 -3.287 -10.277 1.00 63.24 H new ATOM 0 HD1 PHE A 95 -8.164 -3.033 -11.936 1.00 43.33 H new ATOM 0 HD2 PHE A 95 -7.713 -1.830 -7.869 1.00 12.41 H new ATOM 0 HE1 PHE A 95 -5.726 -3.003 -12.214 1.00 12.41 H new ATOM 0 HE2 PHE A 95 -5.273 -1.804 -8.148 1.00 70.50 H new ATOM 0 HZ PHE A 95 -4.275 -2.389 -10.325 1.00 44.04 H new ATOM 1478 N SER A 96 -10.557 0.134 -8.138 1.00 52.42 N ATOM 1479 CA SER A 96 -10.269 1.173 -7.143 1.00 75.44 C ATOM 1480 C SER A 96 -10.530 0.650 -5.726 1.00 62.12 C ATOM 1481 O SER A 96 -11.080 -0.435 -5.555 1.00 23.24 O ATOM 1482 CB SER A 96 -11.126 2.422 -7.401 1.00 64.23 C ATOM 1483 OG SER A 96 -12.514 2.131 -7.316 1.00 13.43 O ATOM 0 H SER A 96 -11.317 -0.492 -7.872 1.00 52.42 H new ATOM 0 HA SER A 96 -9.217 1.442 -7.232 1.00 75.44 H new ATOM 0 HB2 SER A 96 -10.871 3.195 -6.676 1.00 64.23 H new ATOM 0 HB3 SER A 96 -10.898 2.823 -8.388 1.00 64.23 H new ATOM 0 HG SER A 96 -13.030 2.947 -7.483 1.00 13.43 H new ATOM 1489 N GLY A 97 -10.133 1.412 -4.709 1.00 34.12 N ATOM 1490 CA GLY A 97 -10.352 0.975 -3.333 1.00 21.03 C ATOM 1491 C GLY A 97 -9.908 1.992 -2.290 1.00 11.54 C ATOM 1492 O GLY A 97 -9.495 3.106 -2.622 1.00 44.54 O ATOM 0 H GLY A 97 -9.668 2.315 -4.807 1.00 34.12 H new ATOM 0 HA2 GLY A 97 -11.412 0.763 -3.193 1.00 21.03 H new ATOM 0 HA3 GLY A 97 -9.815 0.041 -3.168 1.00 21.03 H new ATOM 1496 N THR A 98 -9.993 1.603 -1.016 1.00 60.23 N ATOM 1497 CA THR A 98 -9.613 2.481 0.101 1.00 24.13 C ATOM 1498 C THR A 98 -8.241 2.090 0.669 1.00 2.32 C ATOM 1499 O THR A 98 -7.930 0.908 0.816 1.00 11.44 O ATOM 1500 CB THR A 98 -10.661 2.427 1.245 1.00 1.43 C ATOM 1501 OG1 THR A 98 -11.975 2.704 0.731 1.00 61.20 O ATOM 1502 CG2 THR A 98 -10.331 3.431 2.352 1.00 51.11 C ATOM 0 H THR A 98 -10.323 0.682 -0.728 1.00 60.23 H new ATOM 0 HA THR A 98 -9.567 3.495 -0.296 1.00 24.13 H new ATOM 0 HB THR A 98 -10.635 1.422 1.667 1.00 1.43 H new ATOM 0 HG1 THR A 98 -12.627 2.665 1.462 1.00 61.20 H new ATOM 0 HG21 THR A 98 -11.084 3.367 3.137 1.00 51.11 H new ATOM 0 HG22 THR A 98 -9.351 3.202 2.770 1.00 51.11 H new ATOM 0 HG23 THR A 98 -10.323 4.439 1.938 1.00 51.11 H new ATOM 1510 N VAL A 99 -7.423 3.084 0.993 1.00 52.30 N ATOM 1511 CA VAL A 99 -6.079 2.839 1.523 1.00 63.12 C ATOM 1512 C VAL A 99 -5.853 3.561 2.861 1.00 11.42 C ATOM 1513 O VAL A 99 -6.131 4.753 2.998 1.00 44.20 O ATOM 1514 CB VAL A 99 -4.983 3.263 0.508 1.00 75.25 C ATOM 1515 CG1 VAL A 99 -5.149 2.502 -0.805 1.00 33.35 C ATOM 1516 CG2 VAL A 99 -5.007 4.772 0.263 1.00 74.40 C ATOM 0 H VAL A 99 -7.664 4.071 0.899 1.00 52.30 H new ATOM 0 HA VAL A 99 -6.003 1.765 1.694 1.00 63.12 H new ATOM 0 HB VAL A 99 -4.013 3.011 0.936 1.00 75.25 H new ATOM 0 HG11 VAL A 99 -4.373 2.811 -1.505 1.00 33.35 H new ATOM 0 HG12 VAL A 99 -5.064 1.431 -0.618 1.00 33.35 H new ATOM 0 HG13 VAL A 99 -6.129 2.719 -1.230 1.00 33.35 H new ATOM 0 HG21 VAL A 99 -4.228 5.037 -0.452 1.00 74.40 H new ATOM 0 HG22 VAL A 99 -5.979 5.060 -0.136 1.00 74.40 H new ATOM 0 HG23 VAL A 99 -4.831 5.296 1.202 1.00 74.40 H new ATOM 1526 N GLU A 100 -5.369 2.815 3.848 1.00 3.14 N ATOM 1527 CA GLU A 100 -5.003 3.375 5.151 1.00 14.01 C ATOM 1528 C GLU A 100 -3.525 3.790 5.139 1.00 22.55 C ATOM 1529 O GLU A 100 -2.685 3.077 4.591 1.00 53.13 O ATOM 1530 CB GLU A 100 -5.213 2.328 6.261 1.00 64.43 C ATOM 1531 CG GLU A 100 -6.528 1.560 6.181 1.00 5.13 C ATOM 1532 CD GLU A 100 -7.746 2.405 6.516 1.00 0.55 C ATOM 1533 OE1 GLU A 100 -8.100 2.493 7.711 1.00 74.03 O ATOM 1534 OE2 GLU A 100 -8.373 2.955 5.584 1.00 12.41 O ATOM 0 H GLU A 100 -5.218 1.809 3.772 1.00 3.14 H new ATOM 0 HA GLU A 100 -5.634 4.242 5.345 1.00 14.01 H new ATOM 0 HB2 GLU A 100 -4.390 1.614 6.227 1.00 64.43 H new ATOM 0 HB3 GLU A 100 -5.160 2.829 7.227 1.00 64.43 H new ATOM 0 HG2 GLU A 100 -6.642 1.155 5.175 1.00 5.13 H new ATOM 0 HG3 GLU A 100 -6.486 0.711 6.864 1.00 5.13 H new ATOM 1541 N TYR A 101 -3.198 4.928 5.735 1.00 5.12 N ATOM 1542 CA TYR A 101 -1.795 5.340 5.850 1.00 3.24 C ATOM 1543 C TYR A 101 -1.533 6.102 7.155 1.00 0.33 C ATOM 1544 O TYR A 101 -2.167 7.120 7.445 1.00 1.44 O ATOM 1545 CB TYR A 101 -1.356 6.166 4.629 1.00 71.25 C ATOM 1546 CG TYR A 101 -2.108 7.474 4.426 1.00 30.23 C ATOM 1547 CD1 TYR A 101 -3.393 7.491 3.890 1.00 24.41 C ATOM 1548 CD2 TYR A 101 -1.513 8.692 4.737 1.00 1.35 C ATOM 1549 CE1 TYR A 101 -4.060 8.683 3.675 1.00 3.32 C ATOM 1550 CE2 TYR A 101 -2.176 9.886 4.531 1.00 62.42 C ATOM 1551 CZ TYR A 101 -3.449 9.877 3.997 1.00 12.24 C ATOM 1552 OH TYR A 101 -4.107 11.064 3.769 1.00 4.34 O ATOM 0 H TYR A 101 -3.870 5.578 6.143 1.00 5.12 H new ATOM 0 HA TYR A 101 -1.192 4.432 5.876 1.00 3.24 H new ATOM 0 HB2 TYR A 101 -0.293 6.388 4.724 1.00 71.25 H new ATOM 0 HB3 TYR A 101 -1.476 5.554 3.735 1.00 71.25 H new ATOM 0 HD1 TYR A 101 -3.876 6.559 3.638 1.00 24.41 H new ATOM 0 HD2 TYR A 101 -0.514 8.704 5.147 1.00 1.35 H new ATOM 0 HE1 TYR A 101 -5.056 8.679 3.257 1.00 3.32 H new ATOM 0 HE2 TYR A 101 -1.701 10.822 4.786 1.00 62.42 H new ATOM 0 HH TYR A 101 -3.540 11.812 4.052 1.00 4.34 H new ATOM 1562 N GLY A 102 -0.590 5.588 7.941 1.00 32.43 N ATOM 1563 CA GLY A 102 -0.255 6.190 9.223 1.00 22.05 C ATOM 1564 C GLY A 102 1.031 5.635 9.820 1.00 52.20 C ATOM 1565 O GLY A 102 1.949 5.265 9.088 1.00 21.21 O ATOM 0 H GLY A 102 -0.046 4.756 7.710 1.00 32.43 H new ATOM 0 HA2 GLY A 102 -0.156 7.268 9.098 1.00 22.05 H new ATOM 0 HA3 GLY A 102 -1.075 6.025 9.922 1.00 22.05 H new ATOM 1569 N GLN A 103 1.091 5.556 11.146 1.00 4.15 N ATOM 1570 CA GLN A 103 2.303 5.108 11.849 1.00 11.03 C ATOM 1571 C GLN A 103 2.024 3.908 12.770 1.00 43.22 C ATOM 1572 O GLN A 103 0.919 3.745 13.285 1.00 60.44 O ATOM 1573 CB GLN A 103 2.887 6.264 12.675 1.00 43.15 C ATOM 1574 CG GLN A 103 3.226 7.495 11.846 1.00 22.44 C ATOM 1575 CD GLN A 103 3.829 8.621 12.669 1.00 53.12 C ATOM 1576 OE1 GLN A 103 3.537 8.772 13.851 1.00 34.25 O ATOM 1577 NE2 GLN A 103 4.667 9.421 12.048 1.00 1.40 N ATOM 0 H GLN A 103 0.315 5.796 11.763 1.00 4.15 H new ATOM 0 HA GLN A 103 3.021 4.790 11.093 1.00 11.03 H new ATOM 0 HB2 GLN A 103 2.173 6.543 13.449 1.00 43.15 H new ATOM 0 HB3 GLN A 103 3.788 5.918 13.182 1.00 43.15 H new ATOM 0 HG2 GLN A 103 3.925 7.214 11.059 1.00 22.44 H new ATOM 0 HG3 GLN A 103 2.322 7.856 11.356 1.00 22.44 H new ATOM 0 HE21 GLN A 103 4.887 9.265 11.064 1.00 1.40 H new ATOM 0 HE22 GLN A 103 5.098 10.198 12.550 1.00 1.40 H new ATOM 1586 N ILE A 104 3.043 3.074 12.971 1.00 75.41 N ATOM 1587 CA ILE A 104 2.941 1.914 13.864 1.00 15.12 C ATOM 1588 C ILE A 104 3.767 2.121 15.142 1.00 4.45 C ATOM 1589 O ILE A 104 4.921 2.545 15.080 1.00 51.34 O ATOM 1590 CB ILE A 104 3.442 0.618 13.177 1.00 20.22 C ATOM 1591 CG1 ILE A 104 2.609 0.305 11.928 1.00 21.34 C ATOM 1592 CG2 ILE A 104 3.408 -0.559 14.153 1.00 40.33 C ATOM 1593 CD1 ILE A 104 3.039 -0.960 11.215 1.00 35.03 C ATOM 0 H ILE A 104 3.955 3.179 12.526 1.00 75.41 H new ATOM 0 HA ILE A 104 1.885 1.813 14.113 1.00 15.12 H new ATOM 0 HB ILE A 104 4.475 0.778 12.867 1.00 20.22 H new ATOM 0 HG12 ILE A 104 1.561 0.213 12.214 1.00 21.34 H new ATOM 0 HG13 ILE A 104 2.678 1.144 11.236 1.00 21.34 H new ATOM 0 HG21 ILE A 104 3.764 -1.459 13.651 1.00 40.33 H new ATOM 0 HG22 ILE A 104 4.050 -0.342 15.007 1.00 40.33 H new ATOM 0 HG23 ILE A 104 2.386 -0.716 14.498 1.00 40.33 H new ATOM 0 HD11 ILE A 104 2.406 -1.118 10.342 1.00 35.03 H new ATOM 0 HD12 ILE A 104 4.077 -0.864 10.898 1.00 35.03 H new ATOM 0 HD13 ILE A 104 2.943 -1.809 11.891 1.00 35.03 H new ATOM 1605 N GLN A 105 3.175 1.818 16.294 1.00 14.02 N ATOM 1606 CA GLN A 105 3.919 1.808 17.557 1.00 24.41 C ATOM 1607 C GLN A 105 3.843 0.425 18.231 1.00 41.42 C ATOM 1608 O GLN A 105 2.844 0.068 18.859 1.00 35.33 O ATOM 1609 CB GLN A 105 3.416 2.908 18.505 1.00 75.21 C ATOM 1610 CG GLN A 105 1.927 2.828 18.821 1.00 15.13 C ATOM 1611 CD GLN A 105 1.480 3.845 19.863 1.00 71.54 C ATOM 1612 OE1 GLN A 105 2.137 4.989 19.911 1.00 61.14 O flip ATOM 1613 NE2 GLN A 105 0.540 3.606 20.617 1.00 43.40 N flip ATOM 0 H GLN A 105 2.188 1.577 16.383 1.00 14.02 H new ATOM 0 HA GLN A 105 4.965 2.015 17.329 1.00 24.41 H new ATOM 0 HB2 GLN A 105 3.977 2.853 19.438 1.00 75.21 H new ATOM 0 HB3 GLN A 105 3.630 3.880 18.061 1.00 75.21 H new ATOM 0 HG2 GLN A 105 1.359 2.983 17.904 1.00 15.13 H new ATOM 0 HG3 GLN A 105 1.691 1.825 19.177 1.00 15.13 H new ATOM 0 HE21 GLN A 105 0.052 2.713 20.556 1.00 43.40 H new ATOM 0 HE22 GLN A 105 0.248 4.301 21.304 1.00 43.40 H new ATOM 1622 N GLY A 106 4.888 -0.369 18.050 1.00 24.12 N ATOM 1623 CA GLY A 106 4.963 -1.676 18.695 1.00 43.23 C ATOM 1624 C GLY A 106 5.781 -2.700 17.912 1.00 2.41 C ATOM 1625 O GLY A 106 6.563 -2.347 17.026 1.00 2.32 O ATOM 0 H GLY A 106 5.691 -0.136 17.467 1.00 24.12 H new ATOM 0 HA2 GLY A 106 5.399 -1.557 19.687 1.00 43.23 H new ATOM 0 HA3 GLY A 106 3.953 -2.061 18.835 1.00 43.23 H new ATOM 1629 N THR A 107 5.594 -3.971 18.253 1.00 11.24 N ATOM 1630 CA THR A 107 6.325 -5.085 17.630 1.00 11.51 C ATOM 1631 C THR A 107 5.418 -5.911 16.703 1.00 33.22 C ATOM 1632 O THR A 107 4.296 -5.510 16.401 1.00 13.03 O ATOM 1633 CB THR A 107 6.908 -6.024 18.714 1.00 61.23 C ATOM 1634 OG1 THR A 107 5.860 -6.443 19.600 1.00 21.21 O ATOM 1635 CG2 THR A 107 8.012 -5.333 19.512 1.00 74.42 C ATOM 0 H THR A 107 4.931 -4.265 18.970 1.00 11.24 H new ATOM 0 HA THR A 107 7.130 -4.647 17.040 1.00 11.51 H new ATOM 0 HB THR A 107 7.342 -6.891 18.217 1.00 61.23 H new ATOM 0 HG1 THR A 107 5.815 -7.422 19.613 1.00 21.21 H new ATOM 0 HG21 THR A 107 8.400 -6.019 20.265 1.00 74.42 H new ATOM 0 HG22 THR A 107 8.817 -5.039 18.839 1.00 74.42 H new ATOM 0 HG23 THR A 107 7.607 -4.448 20.002 1.00 74.42 H new ATOM 1643 N ILE A 108 5.909 -7.065 16.245 1.00 75.04 N ATOM 1644 CA ILE A 108 5.111 -7.961 15.396 1.00 44.42 C ATOM 1645 C ILE A 108 3.895 -8.519 16.152 1.00 32.11 C ATOM 1646 O ILE A 108 2.773 -8.522 15.640 1.00 4.34 O ATOM 1647 CB ILE A 108 5.960 -9.146 14.863 1.00 1.41 C ATOM 1648 CG1 ILE A 108 7.099 -8.638 13.965 1.00 13.10 C ATOM 1649 CG2 ILE A 108 5.080 -10.152 14.112 1.00 14.01 C ATOM 1650 CD1 ILE A 108 6.624 -7.911 12.724 1.00 43.43 C ATOM 0 H ILE A 108 6.851 -7.402 16.445 1.00 75.04 H new ATOM 0 HA ILE A 108 4.765 -7.362 14.554 1.00 44.42 H new ATOM 0 HB ILE A 108 6.404 -9.658 15.717 1.00 1.41 H new ATOM 0 HG12 ILE A 108 7.735 -7.969 14.545 1.00 13.10 H new ATOM 0 HG13 ILE A 108 7.717 -9.484 13.664 1.00 13.10 H new ATOM 0 HG21 ILE A 108 5.697 -10.974 13.748 1.00 14.01 H new ATOM 0 HG22 ILE A 108 4.317 -10.542 14.786 1.00 14.01 H new ATOM 0 HG23 ILE A 108 4.600 -9.657 13.268 1.00 14.01 H new ATOM 0 HD11 ILE A 108 7.485 -7.583 12.142 1.00 43.43 H new ATOM 0 HD12 ILE A 108 6.013 -8.582 12.121 1.00 43.43 H new ATOM 0 HD13 ILE A 108 6.031 -7.044 13.015 1.00 43.43 H new ATOM 1662 N ASP A 109 4.127 -8.996 17.371 1.00 41.44 N ATOM 1663 CA ASP A 109 3.068 -9.600 18.178 1.00 3.23 C ATOM 1664 C ASP A 109 2.061 -8.554 18.694 1.00 33.42 C ATOM 1665 O ASP A 109 0.850 -8.740 18.567 1.00 0.52 O ATOM 1666 CB ASP A 109 3.677 -10.415 19.328 1.00 2.14 C ATOM 1667 CG ASP A 109 4.656 -9.631 20.181 1.00 1.00 C ATOM 1668 OD1 ASP A 109 5.711 -9.220 19.659 1.00 60.22 O ATOM 1669 OD2 ASP A 109 4.384 -9.436 21.381 1.00 11.11 O ATOM 0 H ASP A 109 5.041 -8.977 17.824 1.00 41.44 H new ATOM 0 HA ASP A 109 2.504 -10.277 17.536 1.00 3.23 H new ATOM 0 HB2 ASP A 109 2.873 -10.787 19.963 1.00 2.14 H new ATOM 0 HB3 ASP A 109 4.186 -11.286 18.914 1.00 2.14 H new ATOM 1674 N ASN A 110 2.556 -7.452 19.261 1.00 31.13 N ATOM 1675 CA ASN A 110 1.677 -6.366 19.730 1.00 14.12 C ATOM 1676 C ASN A 110 2.099 -4.984 19.187 1.00 41.10 C ATOM 1677 O ASN A 110 3.140 -4.439 19.552 1.00 5.24 O ATOM 1678 CB ASN A 110 1.578 -6.353 21.270 1.00 52.44 C ATOM 1679 CG ASN A 110 2.903 -6.559 21.999 1.00 54.34 C ATOM 1680 OD1 ASN A 110 4.007 -6.113 21.433 1.00 3.24 O flip ATOM 1681 ND2 ASN A 110 2.931 -7.119 23.090 1.00 62.22 N flip ATOM 0 H ASN A 110 3.551 -7.284 19.408 1.00 31.13 H new ATOM 0 HA ASN A 110 0.685 -6.571 19.326 1.00 14.12 H new ATOM 0 HB2 ASN A 110 1.151 -5.401 21.584 1.00 52.44 H new ATOM 0 HB3 ASN A 110 0.883 -7.133 21.582 1.00 52.44 H new ATOM 0 HD21 ASN A 110 2.066 -7.457 23.512 1.00 62.22 H new ATOM 0 HD22 ASN A 110 3.819 -7.246 23.575 1.00 62.22 H new ATOM 1688 N PHE A 111 1.272 -4.434 18.302 1.00 1.44 N ATOM 1689 CA PHE A 111 1.503 -3.100 17.730 1.00 64.43 C ATOM 1690 C PHE A 111 0.186 -2.318 17.596 1.00 33.52 C ATOM 1691 O PHE A 111 -0.890 -2.907 17.484 1.00 60.43 O ATOM 1692 CB PHE A 111 2.180 -3.213 16.355 1.00 63.51 C ATOM 1693 CG PHE A 111 1.342 -3.914 15.309 1.00 71.11 C ATOM 1694 CD1 PHE A 111 1.265 -5.300 15.275 1.00 40.05 C ATOM 1695 CD2 PHE A 111 0.628 -3.185 14.364 1.00 73.23 C ATOM 1696 CE1 PHE A 111 0.497 -5.942 14.322 1.00 62.20 C ATOM 1697 CE2 PHE A 111 -0.141 -3.823 13.411 1.00 70.30 C ATOM 1698 CZ PHE A 111 -0.207 -5.203 13.390 1.00 44.40 C ATOM 0 H PHE A 111 0.427 -4.892 17.960 1.00 1.44 H new ATOM 0 HA PHE A 111 2.160 -2.558 18.410 1.00 64.43 H new ATOM 0 HB2 PHE A 111 2.424 -2.212 15.999 1.00 63.51 H new ATOM 0 HB3 PHE A 111 3.122 -3.749 16.469 1.00 63.51 H new ATOM 0 HD1 PHE A 111 1.811 -5.883 16.002 1.00 40.05 H new ATOM 0 HD2 PHE A 111 0.676 -2.106 14.376 1.00 73.23 H new ATOM 0 HE1 PHE A 111 0.447 -7.021 14.306 1.00 62.20 H new ATOM 0 HE2 PHE A 111 -0.690 -3.244 12.683 1.00 70.30 H new ATOM 0 HZ PHE A 111 -0.808 -5.704 12.646 1.00 44.40 H new ATOM 1708 N GLN A 112 0.277 -0.991 17.603 1.00 1.15 N ATOM 1709 CA GLN A 112 -0.913 -0.138 17.473 1.00 45.35 C ATOM 1710 C GLN A 112 -0.800 0.821 16.278 1.00 50.53 C ATOM 1711 O GLN A 112 0.236 1.455 16.065 1.00 21.31 O ATOM 1712 CB GLN A 112 -1.148 0.650 18.770 1.00 13.00 C ATOM 1713 CG GLN A 112 -1.448 -0.242 19.971 1.00 31.14 C ATOM 1714 CD GLN A 112 -1.732 0.531 21.251 1.00 15.53 C ATOM 1715 OE1 GLN A 112 -2.299 1.716 21.131 1.00 24.22 O flip ATOM 1716 NE2 GLN A 112 -1.457 0.054 22.346 1.00 74.33 N flip ATOM 0 H GLN A 112 1.155 -0.480 17.696 1.00 1.15 H new ATOM 0 HA GLN A 112 -1.767 -0.790 17.291 1.00 45.35 H new ATOM 0 HB2 GLN A 112 -0.266 1.253 18.985 1.00 13.00 H new ATOM 0 HB3 GLN A 112 -1.978 1.340 18.622 1.00 13.00 H new ATOM 0 HG2 GLN A 112 -2.307 -0.872 19.739 1.00 31.14 H new ATOM 0 HG3 GLN A 112 -0.601 -0.907 20.139 1.00 31.14 H new ATOM 0 HE21 GLN A 112 -1.019 -0.865 22.406 1.00 74.33 H new ATOM 0 HE22 GLN A 112 -1.666 0.576 23.197 1.00 74.33 H new ATOM 1725 N GLU A 113 -1.881 0.911 15.500 1.00 43.30 N ATOM 1726 CA GLU A 113 -1.941 1.793 14.327 1.00 2.24 C ATOM 1727 C GLU A 113 -2.408 3.207 14.720 1.00 64.25 C ATOM 1728 O GLU A 113 -3.594 3.427 14.980 1.00 13.53 O ATOM 1729 CB GLU A 113 -2.911 1.204 13.289 1.00 63.54 C ATOM 1730 CG GLU A 113 -2.540 -0.196 12.800 1.00 15.43 C ATOM 1731 CD GLU A 113 -3.688 -0.890 12.072 1.00 72.44 C ATOM 1732 OE1 GLU A 113 -4.552 -1.484 12.757 1.00 40.34 O ATOM 1733 OE2 GLU A 113 -3.743 -0.843 10.825 1.00 72.21 O ATOM 0 H GLU A 113 -2.736 0.379 15.662 1.00 43.30 H new ATOM 0 HA GLU A 113 -0.940 1.866 13.902 1.00 2.24 H new ATOM 0 HB2 GLU A 113 -3.911 1.171 13.722 1.00 63.54 H new ATOM 0 HB3 GLU A 113 -2.957 1.875 12.431 1.00 63.54 H new ATOM 0 HG2 GLU A 113 -1.681 -0.127 12.133 1.00 15.43 H new ATOM 0 HG3 GLU A 113 -2.235 -0.804 13.651 1.00 15.43 H new ATOM 1740 N ILE A 114 -1.474 4.159 14.762 1.00 22.10 N ATOM 1741 CA ILE A 114 -1.788 5.551 15.131 1.00 32.40 C ATOM 1742 C ILE A 114 -1.578 6.503 13.941 1.00 43.12 C ATOM 1743 O ILE A 114 -0.914 6.148 12.970 1.00 71.14 O ATOM 1744 CB ILE A 114 -0.915 6.036 16.318 1.00 15.35 C ATOM 1745 CG1 ILE A 114 0.579 6.010 15.940 1.00 40.13 C ATOM 1746 CG2 ILE A 114 -1.176 5.181 17.557 1.00 4.42 C ATOM 1747 CD1 ILE A 114 1.497 6.553 17.016 1.00 41.01 C ATOM 0 H ILE A 114 -0.491 3.996 14.546 1.00 22.10 H new ATOM 0 HA ILE A 114 -2.837 5.566 15.428 1.00 32.40 H new ATOM 0 HB ILE A 114 -1.188 7.066 16.549 1.00 15.35 H new ATOM 0 HG12 ILE A 114 0.868 4.984 15.714 1.00 40.13 H new ATOM 0 HG13 ILE A 114 0.723 6.590 15.028 1.00 40.13 H new ATOM 0 HG21 ILE A 114 -0.556 5.535 18.380 1.00 4.42 H new ATOM 0 HG22 ILE A 114 -2.227 5.256 17.836 1.00 4.42 H new ATOM 0 HG23 ILE A 114 -0.932 4.141 17.340 1.00 4.42 H new ATOM 0 HD11 ILE A 114 2.530 6.500 16.673 1.00 41.01 H new ATOM 0 HD12 ILE A 114 1.237 7.590 17.227 1.00 41.01 H new ATOM 0 HD13 ILE A 114 1.385 5.960 17.923 1.00 41.01 H new ATOM 1759 N ASN A 115 -2.155 7.708 14.024 1.00 62.55 N ATOM 1760 CA ASN A 115 -1.992 8.738 12.978 1.00 35.54 C ATOM 1761 C ASN A 115 -2.373 8.208 11.583 1.00 60.34 C ATOM 1762 O ASN A 115 -1.841 8.659 10.568 1.00 45.22 O ATOM 1763 CB ASN A 115 -0.546 9.257 12.971 1.00 55.42 C ATOM 1764 CG ASN A 115 -0.159 9.927 14.279 1.00 13.25 C ATOM 1765 OD1 ASN A 115 -0.988 10.523 14.957 1.00 32.45 O ATOM 1766 ND2 ASN A 115 1.101 9.830 14.651 1.00 34.44 N ATOM 0 H ASN A 115 -2.742 7.999 14.806 1.00 62.55 H new ATOM 0 HA ASN A 115 -2.671 9.557 13.213 1.00 35.54 H new ATOM 0 HB2 ASN A 115 0.133 8.427 12.778 1.00 55.42 H new ATOM 0 HB3 ASN A 115 -0.423 9.967 12.153 1.00 55.42 H new ATOM 0 HD21 ASN A 115 1.409 10.257 15.524 1.00 34.44 H new ATOM 0 HD22 ASN A 115 1.768 9.327 14.066 1.00 34.44 H new ATOM 1773 N VAL A 116 -3.312 7.265 11.542 1.00 50.23 N ATOM 1774 CA VAL A 116 -3.716 6.620 10.287 1.00 11.02 C ATOM 1775 C VAL A 116 -4.950 7.293 9.654 1.00 21.21 C ATOM 1776 O VAL A 116 -5.996 7.434 10.286 1.00 30.45 O ATOM 1777 CB VAL A 116 -3.994 5.108 10.504 1.00 71.53 C ATOM 1778 CG1 VAL A 116 -5.028 4.889 11.607 1.00 2.41 C ATOM 1779 CG2 VAL A 116 -4.438 4.444 9.202 1.00 60.05 C ATOM 0 H VAL A 116 -3.811 6.927 12.365 1.00 50.23 H new ATOM 0 HA VAL A 116 -2.882 6.736 9.595 1.00 11.02 H new ATOM 0 HB VAL A 116 -3.063 4.640 10.823 1.00 71.53 H new ATOM 0 HG11 VAL A 116 -5.202 3.821 11.736 1.00 2.41 H new ATOM 0 HG12 VAL A 116 -4.659 5.312 12.541 1.00 2.41 H new ATOM 0 HG13 VAL A 116 -5.963 5.378 11.332 1.00 2.41 H new ATOM 0 HG21 VAL A 116 -4.627 3.385 9.379 1.00 60.05 H new ATOM 0 HG22 VAL A 116 -5.351 4.920 8.843 1.00 60.05 H new ATOM 0 HG23 VAL A 116 -3.654 4.552 8.453 1.00 60.05 H new ATOM 1789 N GLN A 117 -4.807 7.718 8.398 1.00 61.53 N ATOM 1790 CA GLN A 117 -5.918 8.304 7.634 1.00 14.31 C ATOM 1791 C GLN A 117 -6.308 7.396 6.459 1.00 35.22 C ATOM 1792 O GLN A 117 -5.541 6.518 6.060 1.00 15.21 O ATOM 1793 CB GLN A 117 -5.548 9.702 7.103 1.00 14.43 C ATOM 1794 CG GLN A 117 -5.369 10.767 8.186 1.00 23.11 C ATOM 1795 CD GLN A 117 -4.150 10.545 9.072 1.00 14.13 C ATOM 1796 OE1 GLN A 117 -3.090 9.985 8.516 1.00 64.03 O flip ATOM 1797 NE2 GLN A 117 -4.155 10.891 10.251 1.00 54.31 N flip ATOM 0 H GLN A 117 -3.928 7.668 7.882 1.00 61.53 H new ATOM 0 HA GLN A 117 -6.768 8.399 8.310 1.00 14.31 H new ATOM 0 HB2 GLN A 117 -4.624 9.626 6.530 1.00 14.43 H new ATOM 0 HB3 GLN A 117 -6.325 10.031 6.413 1.00 14.43 H new ATOM 0 HG2 GLN A 117 -5.288 11.745 7.711 1.00 23.11 H new ATOM 0 HG3 GLN A 117 -6.262 10.789 8.811 1.00 23.11 H new ATOM 0 HE21 GLN A 117 -4.988 11.321 10.653 1.00 54.31 H new ATOM 0 HE22 GLN A 117 -3.326 10.748 10.828 1.00 54.31 H new ATOM 1806 N ASN A 118 -7.493 7.621 5.907 1.00 54.52 N ATOM 1807 CA ASN A 118 -8.005 6.817 4.791 1.00 64.42 C ATOM 1808 C ASN A 118 -8.084 7.638 3.490 1.00 45.05 C ATOM 1809 O ASN A 118 -8.467 8.806 3.504 1.00 13.20 O ATOM 1810 CB ASN A 118 -9.389 6.265 5.150 1.00 22.14 C ATOM 1811 CG ASN A 118 -10.326 7.351 5.646 1.00 63.15 C ATOM 1812 OD1 ASN A 118 -10.415 7.615 6.843 1.00 54.20 O ATOM 1813 ND2 ASN A 118 -11.008 8.010 4.735 1.00 42.33 N ATOM 0 H ASN A 118 -8.127 8.359 6.213 1.00 54.52 H new ATOM 0 HA ASN A 118 -7.313 5.993 4.619 1.00 64.42 H new ATOM 0 HB2 ASN A 118 -9.825 5.783 4.275 1.00 22.14 H new ATOM 0 HB3 ASN A 118 -9.285 5.498 5.918 1.00 22.14 H new ATOM 0 HD21 ASN A 118 -11.634 8.766 5.014 1.00 42.33 H new ATOM 0 HD22 ASN A 118 -10.911 7.766 3.749 1.00 42.33 H new ATOM 1820 N GLN A 119 -7.726 7.016 2.367 1.00 14.41 N ATOM 1821 CA GLN A 119 -7.751 7.693 1.062 1.00 0.23 C ATOM 1822 C GLN A 119 -8.266 6.752 -0.047 1.00 10.24 C ATOM 1823 O GLN A 119 -8.265 5.534 0.109 1.00 12.11 O ATOM 1824 CB GLN A 119 -6.340 8.203 0.721 1.00 53.42 C ATOM 1825 CG GLN A 119 -6.258 8.997 -0.580 1.00 44.34 C ATOM 1826 CD GLN A 119 -4.848 9.443 -0.930 1.00 61.24 C ATOM 1827 OE1 GLN A 119 -4.036 9.716 0.069 1.00 21.22 O flip ATOM 1828 NE2 GLN A 119 -4.500 9.560 -2.098 1.00 15.14 N flip ATOM 0 H GLN A 119 -7.415 6.045 2.330 1.00 14.41 H new ATOM 0 HA GLN A 119 -8.437 8.538 1.122 1.00 0.23 H new ATOM 0 HB2 GLN A 119 -5.985 8.830 1.539 1.00 53.42 H new ATOM 0 HB3 GLN A 119 -5.664 7.351 0.656 1.00 53.42 H new ATOM 0 HG2 GLN A 119 -6.650 8.387 -1.394 1.00 44.34 H new ATOM 0 HG3 GLN A 119 -6.899 9.875 -0.502 1.00 44.34 H new ATOM 0 HE21 GLN A 119 -5.154 9.340 -2.849 1.00 15.14 H new ATOM 0 HE22 GLN A 119 -3.556 9.877 -2.320 1.00 15.14 H new ATOM 1837 N LEU A 120 -8.718 7.321 -1.164 1.00 32.33 N ATOM 1838 CA LEU A 120 -9.194 6.524 -2.304 1.00 25.04 C ATOM 1839 C LEU A 120 -8.143 6.448 -3.423 1.00 41.15 C ATOM 1840 O LEU A 120 -7.510 7.447 -3.763 1.00 31.41 O ATOM 1841 CB LEU A 120 -10.500 7.118 -2.861 1.00 53.31 C ATOM 1842 CG LEU A 120 -11.744 6.928 -1.977 1.00 3.20 C ATOM 1843 CD1 LEU A 120 -12.936 7.686 -2.555 1.00 75.41 C ATOM 1844 CD2 LEU A 120 -12.074 5.441 -1.827 1.00 42.42 C ATOM 0 H LEU A 120 -8.766 8.330 -1.308 1.00 32.33 H new ATOM 0 HA LEU A 120 -9.377 5.512 -1.942 1.00 25.04 H new ATOM 0 HB2 LEU A 120 -10.352 8.185 -3.025 1.00 53.31 H new ATOM 0 HB3 LEU A 120 -10.696 6.670 -3.835 1.00 53.31 H new ATOM 0 HG LEU A 120 -11.527 7.334 -0.989 1.00 3.20 H new ATOM 0 HD11 LEU A 120 -13.806 7.539 -1.915 1.00 75.41 H new ATOM 0 HD12 LEU A 120 -12.700 8.749 -2.608 1.00 75.41 H new ATOM 0 HD13 LEU A 120 -13.154 7.312 -3.555 1.00 75.41 H new ATOM 0 HD21 LEU A 120 -12.957 5.326 -1.198 1.00 42.42 H new ATOM 0 HD22 LEU A 120 -12.269 5.011 -2.809 1.00 42.42 H new ATOM 0 HD23 LEU A 120 -11.231 4.926 -1.366 1.00 42.42 H new ATOM 1856 N ILE A 121 -7.961 5.256 -3.990 1.00 72.04 N ATOM 1857 CA ILE A 121 -7.069 5.067 -5.142 1.00 51.43 C ATOM 1858 C ILE A 121 -7.850 4.560 -6.361 1.00 11.21 C ATOM 1859 O ILE A 121 -8.754 3.737 -6.221 1.00 63.51 O ATOM 1860 CB ILE A 121 -5.924 4.069 -4.832 1.00 62.41 C ATOM 1861 CG1 ILE A 121 -6.483 2.678 -4.472 1.00 4.32 C ATOM 1862 CG2 ILE A 121 -5.049 4.611 -3.706 1.00 74.10 C ATOM 1863 CD1 ILE A 121 -5.418 1.617 -4.279 1.00 2.04 C ATOM 0 H ILE A 121 -8.419 4.402 -3.672 1.00 72.04 H new ATOM 0 HA ILE A 121 -6.634 6.042 -5.360 1.00 51.43 H new ATOM 0 HB ILE A 121 -5.312 3.957 -5.727 1.00 62.41 H new ATOM 0 HG12 ILE A 121 -7.070 2.759 -3.557 1.00 4.32 H new ATOM 0 HG13 ILE A 121 -7.164 2.356 -5.260 1.00 4.32 H new ATOM 0 HG21 ILE A 121 -4.247 3.903 -3.495 1.00 74.10 H new ATOM 0 HG22 ILE A 121 -4.619 5.567 -4.007 1.00 74.10 H new ATOM 0 HG23 ILE A 121 -5.654 4.751 -2.810 1.00 74.10 H new ATOM 0 HD11 ILE A 121 -5.891 0.668 -4.028 1.00 2.04 H new ATOM 0 HD12 ILE A 121 -4.845 1.505 -5.199 1.00 2.04 H new ATOM 0 HD13 ILE A 121 -4.751 1.914 -3.470 1.00 2.04 H new ATOM 1875 N ASN A 122 -7.503 5.055 -7.551 1.00 34.31 N ATOM 1876 CA ASN A 122 -8.191 4.662 -8.793 1.00 60.34 C ATOM 1877 C ASN A 122 -7.183 4.254 -9.881 1.00 41.11 C ATOM 1878 O ASN A 122 -6.386 5.073 -10.342 1.00 3.42 O ATOM 1879 CB ASN A 122 -9.070 5.818 -9.294 1.00 62.54 C ATOM 1880 CG ASN A 122 -10.175 6.165 -8.311 1.00 41.54 C ATOM 1881 OD1 ASN A 122 -9.991 6.970 -7.405 1.00 20.43 O ATOM 1882 ND2 ASN A 122 -11.337 5.567 -8.487 1.00 60.23 N ATOM 0 H ASN A 122 -6.750 5.729 -7.686 1.00 34.31 H new ATOM 0 HA ASN A 122 -8.820 3.799 -8.575 1.00 60.34 H new ATOM 0 HB2 ASN A 122 -8.449 6.697 -9.465 1.00 62.54 H new ATOM 0 HB3 ASN A 122 -9.511 5.548 -10.253 1.00 62.54 H new ATOM 0 HD21 ASN A 122 -12.115 5.770 -7.859 1.00 60.23 H new ATOM 0 HD22 ASN A 122 -11.458 4.902 -9.251 1.00 60.23 H new ATOM 1889 N ALA A 123 -7.225 2.985 -10.289 1.00 1.14 N ATOM 1890 CA ALA A 123 -6.294 2.457 -11.296 1.00 41.10 C ATOM 1891 C ALA A 123 -7.001 2.141 -12.626 1.00 41.23 C ATOM 1892 O ALA A 123 -8.104 1.586 -12.639 1.00 51.34 O ATOM 1893 CB ALA A 123 -5.600 1.210 -10.760 1.00 64.20 C ATOM 0 H ALA A 123 -7.894 2.300 -9.939 1.00 1.14 H new ATOM 0 HA ALA A 123 -5.552 3.230 -11.497 1.00 41.10 H new ATOM 0 HB1 ALA A 123 -4.912 0.825 -11.512 1.00 64.20 H new ATOM 0 HB2 ALA A 123 -5.045 1.462 -9.856 1.00 64.20 H new ATOM 0 HB3 ALA A 123 -6.346 0.450 -10.528 1.00 64.20 H new ATOM 1899 N PRO A 124 -6.377 2.501 -13.767 1.00 42.14 N ATOM 1900 CA PRO A 124 -6.928 2.203 -15.101 1.00 40.40 C ATOM 1901 C PRO A 124 -6.889 0.705 -15.454 1.00 20.13 C ATOM 1902 O PRO A 124 -6.196 -0.085 -14.808 1.00 14.13 O ATOM 1903 CB PRO A 124 -6.024 3.013 -16.042 1.00 12.50 C ATOM 1904 CG PRO A 124 -4.735 3.146 -15.306 1.00 4.30 C ATOM 1905 CD PRO A 124 -5.102 3.241 -13.849 1.00 1.51 C ATOM 0 HA PRO A 124 -7.984 2.463 -15.169 1.00 40.40 H new ATOM 0 HB2 PRO A 124 -5.885 2.502 -16.995 1.00 12.50 H new ATOM 0 HB3 PRO A 124 -6.456 3.989 -16.264 1.00 12.50 H new ATOM 0 HG2 PRO A 124 -4.089 2.288 -15.491 1.00 4.30 H new ATOM 0 HG3 PRO A 124 -4.189 4.032 -15.630 1.00 4.30 H new ATOM 0 HD2 PRO A 124 -4.337 2.796 -13.212 1.00 1.51 H new ATOM 0 HD3 PRO A 124 -5.218 4.277 -13.531 1.00 1.51 H new ATOM 1913 N ALA A 125 -7.633 0.324 -16.491 1.00 50.35 N ATOM 1914 CA ALA A 125 -7.759 -1.083 -16.889 1.00 0.55 C ATOM 1915 C ALA A 125 -6.593 -1.561 -17.767 1.00 72.22 C ATOM 1916 O ALA A 125 -5.952 -0.769 -18.464 1.00 43.53 O ATOM 1917 CB ALA A 125 -9.080 -1.293 -17.623 1.00 2.23 C ATOM 0 H ALA A 125 -8.162 0.972 -17.076 1.00 50.35 H new ATOM 0 HA ALA A 125 -7.735 -1.678 -15.976 1.00 0.55 H new ATOM 0 HB1 ALA A 125 -9.171 -2.339 -17.917 1.00 2.23 H new ATOM 0 HB2 ALA A 125 -9.908 -1.028 -16.965 1.00 2.23 H new ATOM 0 HB3 ALA A 125 -9.107 -0.662 -18.512 1.00 2.23 H new ATOM 1923 N SER A 126 -6.326 -2.866 -17.727 1.00 2.43 N ATOM 1924 CA SER A 126 -5.322 -3.487 -18.603 1.00 44.12 C ATOM 1925 C SER A 126 -5.981 -4.031 -19.874 1.00 22.12 C ATOM 1926 O SER A 126 -6.752 -4.989 -19.822 1.00 72.02 O ATOM 1927 CB SER A 126 -4.589 -4.626 -17.874 1.00 50.53 C ATOM 1928 OG SER A 126 -3.875 -4.146 -16.745 1.00 22.22 O ATOM 0 H SER A 126 -6.791 -3.519 -17.096 1.00 2.43 H new ATOM 0 HA SER A 126 -4.597 -2.720 -18.876 1.00 44.12 H new ATOM 0 HB2 SER A 126 -5.310 -5.380 -17.557 1.00 50.53 H new ATOM 0 HB3 SER A 126 -3.899 -5.115 -18.562 1.00 50.53 H new ATOM 0 HG SER A 126 -3.968 -4.782 -16.005 1.00 22.22 H new ATOM 1934 N VAL A 127 -5.677 -3.416 -21.014 1.00 43.22 N ATOM 1935 CA VAL A 127 -6.274 -3.816 -22.295 1.00 4.23 C ATOM 1936 C VAL A 127 -5.634 -5.106 -22.828 1.00 20.05 C ATOM 1937 O VAL A 127 -6.328 -6.041 -23.230 1.00 31.42 O ATOM 1938 CB VAL A 127 -6.124 -2.694 -23.353 1.00 34.34 C ATOM 1939 CG1 VAL A 127 -6.778 -3.098 -24.673 1.00 13.41 C ATOM 1940 CG2 VAL A 127 -6.714 -1.385 -22.830 1.00 73.20 C ATOM 0 H VAL A 127 -5.021 -2.638 -21.082 1.00 43.22 H new ATOM 0 HA VAL A 127 -7.334 -3.996 -22.113 1.00 4.23 H new ATOM 0 HB VAL A 127 -5.061 -2.540 -23.541 1.00 34.34 H new ATOM 0 HG11 VAL A 127 -6.659 -2.294 -25.399 1.00 13.41 H new ATOM 0 HG12 VAL A 127 -6.303 -4.003 -25.053 1.00 13.41 H new ATOM 0 HG13 VAL A 127 -7.839 -3.286 -24.511 1.00 13.41 H new ATOM 0 HG21 VAL A 127 -6.600 -0.607 -23.585 1.00 73.20 H new ATOM 0 HG22 VAL A 127 -7.772 -1.525 -22.610 1.00 73.20 H new ATOM 0 HG23 VAL A 127 -6.191 -1.087 -21.921 1.00 73.20 H new ATOM 1950 N LEU A 128 -4.306 -5.141 -22.829 1.00 65.42 N ATOM 1951 CA LEU A 128 -3.556 -6.315 -23.283 1.00 22.45 C ATOM 1952 C LEU A 128 -2.909 -7.040 -22.099 1.00 73.13 C ATOM 1953 O LEU A 128 -2.578 -6.425 -21.085 1.00 34.04 O ATOM 1954 CB LEU A 128 -2.475 -5.903 -24.291 1.00 52.45 C ATOM 1955 CG LEU A 128 -2.986 -5.179 -25.548 1.00 31.00 C ATOM 1956 CD1 LEU A 128 -1.822 -4.821 -26.471 1.00 63.41 C ATOM 1957 CD2 LEU A 128 -4.024 -6.030 -26.281 1.00 4.13 C ATOM 0 H LEU A 128 -3.720 -4.366 -22.519 1.00 65.42 H new ATOM 0 HA LEU A 128 -4.257 -6.994 -23.768 1.00 22.45 H new ATOM 0 HB2 LEU A 128 -1.759 -5.255 -23.785 1.00 52.45 H new ATOM 0 HB3 LEU A 128 -1.933 -6.796 -24.602 1.00 52.45 H new ATOM 0 HG LEU A 128 -3.471 -4.253 -25.237 1.00 31.00 H new ATOM 0 HD11 LEU A 128 -2.203 -4.309 -27.355 1.00 63.41 H new ATOM 0 HD12 LEU A 128 -1.128 -4.167 -25.944 1.00 63.41 H new ATOM 0 HD13 LEU A 128 -1.304 -5.731 -26.773 1.00 63.41 H new ATOM 0 HD21 LEU A 128 -4.371 -5.498 -27.167 1.00 4.13 H new ATOM 0 HD22 LEU A 128 -3.573 -6.976 -26.580 1.00 4.13 H new ATOM 0 HD23 LEU A 128 -4.869 -6.223 -25.620 1.00 4.13 H new ATOM 1969 N ALA A 129 -2.720 -8.348 -22.239 1.00 41.24 N ATOM 1970 CA ALA A 129 -2.126 -9.161 -21.176 1.00 40.45 C ATOM 1971 C ALA A 129 -0.596 -8.979 -21.111 1.00 54.11 C ATOM 1972 O ALA A 129 0.046 -8.720 -22.130 1.00 2.15 O ATOM 1973 CB ALA A 129 -2.483 -10.626 -21.385 1.00 42.31 C ATOM 0 H ALA A 129 -2.969 -8.871 -23.078 1.00 41.24 H new ATOM 0 HA ALA A 129 -2.535 -8.825 -20.223 1.00 40.45 H new ATOM 0 HB1 ALA A 129 -2.038 -11.226 -20.591 1.00 42.31 H new ATOM 0 HB2 ALA A 129 -3.567 -10.743 -21.364 1.00 42.31 H new ATOM 0 HB3 ALA A 129 -2.100 -10.960 -22.349 1.00 42.31 H new ATOM 1979 N PRO A 130 0.017 -9.103 -19.913 1.00 23.14 N ATOM 1980 CA PRO A 130 -0.691 -9.385 -18.651 1.00 4.52 C ATOM 1981 C PRO A 130 -1.280 -8.125 -17.993 1.00 25.52 C ATOM 1982 O PRO A 130 -1.135 -7.015 -18.504 1.00 22.22 O ATOM 1983 CB PRO A 130 0.421 -9.972 -17.779 1.00 54.43 C ATOM 1984 CG PRO A 130 1.644 -9.236 -18.215 1.00 73.44 C ATOM 1985 CD PRO A 130 1.475 -8.975 -19.696 1.00 52.35 C ATOM 0 HA PRO A 130 -1.551 -10.039 -18.799 1.00 4.52 H new ATOM 0 HB2 PRO A 130 0.220 -9.820 -16.719 1.00 54.43 H new ATOM 0 HB3 PRO A 130 0.525 -11.046 -17.933 1.00 54.43 H new ATOM 0 HG2 PRO A 130 1.752 -8.301 -17.665 1.00 73.44 H new ATOM 0 HG3 PRO A 130 2.541 -9.824 -18.023 1.00 73.44 H new ATOM 0 HD2 PRO A 130 1.835 -7.984 -19.971 1.00 52.35 H new ATOM 0 HD3 PRO A 130 2.033 -9.694 -20.295 1.00 52.35 H new ATOM 1993 N SER A 131 -1.945 -8.306 -16.857 1.00 51.54 N ATOM 1994 CA SER A 131 -2.528 -7.178 -16.116 1.00 2.43 C ATOM 1995 C SER A 131 -1.520 -6.561 -15.140 1.00 74.35 C ATOM 1996 O SER A 131 -1.455 -6.949 -13.973 1.00 11.21 O ATOM 1997 CB SER A 131 -3.778 -7.626 -15.345 1.00 62.13 C ATOM 1998 OG SER A 131 -4.763 -8.140 -16.224 1.00 33.45 O ATOM 0 H SER A 131 -2.097 -9.217 -16.425 1.00 51.54 H new ATOM 0 HA SER A 131 -2.805 -6.420 -16.849 1.00 2.43 H new ATOM 0 HB2 SER A 131 -3.505 -8.388 -14.615 1.00 62.13 H new ATOM 0 HB3 SER A 131 -4.187 -6.783 -14.788 1.00 62.13 H new ATOM 0 HG SER A 131 -4.734 -9.119 -16.210 1.00 33.45 H new ATOM 2004 N ASP A 132 -0.714 -5.619 -15.624 1.00 11.50 N ATOM 2005 CA ASP A 132 0.239 -4.905 -14.769 1.00 63.15 C ATOM 2006 C ASP A 132 0.140 -3.377 -14.962 1.00 4.13 C ATOM 2007 O ASP A 132 0.418 -2.840 -16.037 1.00 73.54 O ATOM 2008 CB ASP A 132 1.667 -5.417 -15.019 1.00 5.54 C ATOM 2009 CG ASP A 132 2.146 -5.229 -16.450 1.00 61.43 C ATOM 2010 OD1 ASP A 132 1.329 -5.339 -17.387 1.00 15.12 O ATOM 2011 OD2 ASP A 132 3.359 -5.001 -16.646 1.00 45.44 O ATOM 0 H ASP A 132 -0.700 -5.330 -16.602 1.00 11.50 H new ATOM 0 HA ASP A 132 -0.017 -5.108 -13.729 1.00 63.15 H new ATOM 0 HB2 ASP A 132 2.351 -4.900 -14.346 1.00 5.54 H new ATOM 0 HB3 ASP A 132 1.712 -6.477 -14.767 1.00 5.54 H new ATOM 2016 N VAL A 133 -0.280 -2.684 -13.906 1.00 73.51 N ATOM 2017 CA VAL A 133 -0.487 -1.228 -13.942 1.00 42.41 C ATOM 2018 C VAL A 133 0.294 -0.545 -12.804 1.00 25.21 C ATOM 2019 O VAL A 133 0.723 -1.209 -11.860 1.00 51.22 O ATOM 2020 CB VAL A 133 -2.000 -0.885 -13.801 1.00 62.13 C ATOM 2021 CG1 VAL A 133 -2.259 0.605 -14.024 1.00 43.32 C ATOM 2022 CG2 VAL A 133 -2.846 -1.730 -14.755 1.00 22.14 C ATOM 0 H VAL A 133 -0.487 -3.109 -13.002 1.00 73.51 H new ATOM 0 HA VAL A 133 -0.123 -0.861 -14.902 1.00 42.41 H new ATOM 0 HB VAL A 133 -2.295 -1.125 -12.780 1.00 62.13 H new ATOM 0 HG11 VAL A 133 -3.325 0.809 -13.918 1.00 43.32 H new ATOM 0 HG12 VAL A 133 -1.704 1.185 -13.287 1.00 43.32 H new ATOM 0 HG13 VAL A 133 -1.934 0.885 -15.026 1.00 43.32 H new ATOM 0 HG21 VAL A 133 -3.898 -1.470 -14.636 1.00 22.14 H new ATOM 0 HG22 VAL A 133 -2.539 -1.536 -15.783 1.00 22.14 H new ATOM 0 HG23 VAL A 133 -2.705 -2.787 -14.527 1.00 22.14 H new ATOM 2032 N ASP A 134 0.504 0.766 -12.900 1.00 22.34 N ATOM 2033 CA ASP A 134 1.096 1.533 -11.796 1.00 14.11 C ATOM 2034 C ASP A 134 0.451 2.924 -11.680 1.00 54.11 C ATOM 2035 O ASP A 134 0.198 3.592 -12.683 1.00 72.54 O ATOM 2036 CB ASP A 134 2.621 1.651 -11.961 1.00 63.03 C ATOM 2037 CG ASP A 134 3.056 2.681 -12.988 1.00 72.01 C ATOM 2038 OD1 ASP A 134 2.957 2.407 -14.200 1.00 23.21 O ATOM 2039 OD2 ASP A 134 3.521 3.769 -12.581 1.00 14.22 O ATOM 0 H ASP A 134 0.276 1.321 -13.725 1.00 22.34 H new ATOM 0 HA ASP A 134 0.897 0.991 -10.871 1.00 14.11 H new ATOM 0 HB2 ASP A 134 3.061 1.907 -10.997 1.00 63.03 H new ATOM 0 HB3 ASP A 134 3.021 0.678 -12.246 1.00 63.03 H new ATOM 2044 N ILE A 135 0.166 3.346 -10.450 1.00 14.41 N ATOM 2045 CA ILE A 135 -0.476 4.643 -10.202 1.00 22.13 C ATOM 2046 C ILE A 135 0.264 5.447 -9.117 1.00 73.02 C ATOM 2047 O ILE A 135 0.607 4.913 -8.058 1.00 11.15 O ATOM 2048 CB ILE A 135 -1.963 4.469 -9.784 1.00 10.20 C ATOM 2049 CG1 ILE A 135 -2.087 3.487 -8.601 1.00 11.13 C ATOM 2050 CG2 ILE A 135 -2.801 4.000 -10.975 1.00 61.32 C ATOM 2051 CD1 ILE A 135 -3.511 3.280 -8.121 1.00 10.21 C ATOM 0 H ILE A 135 0.368 2.811 -9.606 1.00 14.41 H new ATOM 0 HA ILE A 135 -0.431 5.195 -11.141 1.00 22.13 H new ATOM 0 HB ILE A 135 -2.345 5.436 -9.458 1.00 10.20 H new ATOM 0 HG12 ILE A 135 -1.670 2.524 -8.896 1.00 11.13 H new ATOM 0 HG13 ILE A 135 -1.484 3.855 -7.771 1.00 11.13 H new ATOM 0 HG21 ILE A 135 -3.840 3.883 -10.666 1.00 61.32 H new ATOM 0 HG22 ILE A 135 -2.742 4.738 -11.775 1.00 61.32 H new ATOM 0 HG23 ILE A 135 -2.420 3.044 -11.334 1.00 61.32 H new ATOM 0 HD11 ILE A 135 -3.516 2.577 -7.288 1.00 10.21 H new ATOM 0 HD12 ILE A 135 -3.927 4.233 -7.794 1.00 10.21 H new ATOM 0 HD13 ILE A 135 -4.115 2.881 -8.936 1.00 10.21 H new ATOM 2063 N PRO A 136 0.547 6.740 -9.378 1.00 52.23 N ATOM 2064 CA PRO A 136 1.140 7.627 -8.372 1.00 51.31 C ATOM 2065 C PRO A 136 0.141 8.021 -7.270 1.00 14.32 C ATOM 2066 O PRO A 136 -0.817 8.768 -7.502 1.00 30.25 O ATOM 2067 CB PRO A 136 1.581 8.852 -9.178 1.00 24.11 C ATOM 2068 CG PRO A 136 0.712 8.857 -10.394 1.00 71.23 C ATOM 2069 CD PRO A 136 0.352 7.418 -10.676 1.00 73.42 C ATOM 0 HA PRO A 136 1.960 7.144 -7.841 1.00 51.31 H new ATOM 0 HB2 PRO A 136 1.456 9.768 -8.601 1.00 24.11 H new ATOM 0 HB3 PRO A 136 2.635 8.787 -9.448 1.00 24.11 H new ATOM 0 HG2 PRO A 136 -0.184 9.454 -10.227 1.00 71.23 H new ATOM 0 HG3 PRO A 136 1.236 9.298 -11.242 1.00 71.23 H new ATOM 0 HD2 PRO A 136 -0.677 7.325 -11.024 1.00 73.42 H new ATOM 0 HD3 PRO A 136 0.991 6.991 -11.449 1.00 73.42 H new ATOM 2077 N LEU A 137 0.377 7.502 -6.076 1.00 35.33 N ATOM 2078 CA LEU A 137 -0.494 7.740 -4.922 1.00 73.12 C ATOM 2079 C LEU A 137 0.007 8.952 -4.112 1.00 60.22 C ATOM 2080 O LEU A 137 1.180 9.015 -3.734 1.00 73.32 O ATOM 2081 CB LEU A 137 -0.518 6.474 -4.038 1.00 75.42 C ATOM 2082 CG LEU A 137 -1.809 6.213 -3.236 1.00 60.31 C ATOM 2083 CD1 LEU A 137 -1.674 4.937 -2.407 1.00 55.15 C ATOM 2084 CD2 LEU A 137 -2.164 7.396 -2.341 1.00 55.10 C ATOM 0 H LEU A 137 1.177 6.902 -5.873 1.00 35.33 H new ATOM 0 HA LEU A 137 -1.504 7.959 -5.269 1.00 73.12 H new ATOM 0 HB2 LEU A 137 -0.334 5.610 -4.676 1.00 75.42 H new ATOM 0 HB3 LEU A 137 0.313 6.534 -3.335 1.00 75.42 H new ATOM 0 HG LEU A 137 -2.622 6.084 -3.951 1.00 60.31 H new ATOM 0 HD11 LEU A 137 -2.594 4.768 -1.847 1.00 55.15 H new ATOM 0 HD12 LEU A 137 -1.491 4.091 -3.069 1.00 55.15 H new ATOM 0 HD13 LEU A 137 -0.840 5.041 -1.712 1.00 55.15 H new ATOM 0 HD21 LEU A 137 -3.079 7.175 -1.792 1.00 55.10 H new ATOM 0 HD22 LEU A 137 -1.352 7.575 -1.636 1.00 55.10 H new ATOM 0 HD23 LEU A 137 -2.315 8.284 -2.955 1.00 55.10 H new ATOM 2096 N GLN A 138 -0.881 9.913 -3.852 1.00 52.32 N ATOM 2097 CA GLN A 138 -0.531 11.103 -3.065 1.00 75.11 C ATOM 2098 C GLN A 138 -1.086 11.017 -1.635 1.00 31.33 C ATOM 2099 O GLN A 138 -2.273 11.251 -1.400 1.00 34.24 O ATOM 2100 CB GLN A 138 -1.058 12.378 -3.743 1.00 22.44 C ATOM 2101 CG GLN A 138 -0.778 13.650 -2.944 1.00 4.53 C ATOM 2102 CD GLN A 138 -1.390 14.895 -3.563 1.00 64.12 C ATOM 2103 OE1 GLN A 138 -2.410 14.837 -4.246 1.00 31.25 O ATOM 2104 NE2 GLN A 138 -0.781 16.039 -3.313 1.00 71.25 N ATOM 0 H GLN A 138 -1.849 9.893 -4.174 1.00 52.32 H new ATOM 0 HA GLN A 138 0.557 11.145 -3.012 1.00 75.11 H new ATOM 0 HB2 GLN A 138 -0.604 12.470 -4.730 1.00 22.44 H new ATOM 0 HB3 GLN A 138 -2.133 12.282 -3.895 1.00 22.44 H new ATOM 0 HG2 GLN A 138 -1.165 13.528 -1.932 1.00 4.53 H new ATOM 0 HG3 GLN A 138 0.300 13.787 -2.859 1.00 4.53 H new ATOM 0 HE21 GLN A 138 0.064 16.053 -2.742 1.00 71.25 H new ATOM 0 HE22 GLN A 138 -1.156 16.909 -3.691 1.00 71.25 H new ATOM 2113 N LEU A 139 -0.229 10.668 -0.683 1.00 50.43 N ATOM 2114 CA LEU A 139 -0.606 10.646 0.734 1.00 35.13 C ATOM 2115 C LEU A 139 -0.422 12.042 1.351 1.00 72.44 C ATOM 2116 O LEU A 139 0.641 12.640 1.231 1.00 2.44 O ATOM 2117 CB LEU A 139 0.244 9.616 1.489 1.00 63.21 C ATOM 2118 CG LEU A 139 0.185 8.185 0.927 1.00 25.21 C ATOM 2119 CD1 LEU A 139 1.167 7.272 1.657 1.00 63.32 C ATOM 2120 CD2 LEU A 139 -1.235 7.629 1.011 1.00 72.55 C ATOM 0 H LEU A 139 0.737 10.394 -0.863 1.00 50.43 H new ATOM 0 HA LEU A 139 -1.655 10.362 0.816 1.00 35.13 H new ATOM 0 HB2 LEU A 139 1.282 9.950 1.483 1.00 63.21 H new ATOM 0 HB3 LEU A 139 -0.078 9.595 2.530 1.00 63.21 H new ATOM 0 HG LEU A 139 0.475 8.222 -0.123 1.00 25.21 H new ATOM 0 HD11 LEU A 139 1.106 6.266 1.242 1.00 63.32 H new ATOM 0 HD12 LEU A 139 2.180 7.655 1.534 1.00 63.32 H new ATOM 0 HD13 LEU A 139 0.917 7.242 2.717 1.00 63.32 H new ATOM 0 HD21 LEU A 139 -1.254 6.616 0.608 1.00 72.55 H new ATOM 0 HD22 LEU A 139 -1.558 7.612 2.052 1.00 72.55 H new ATOM 0 HD23 LEU A 139 -1.908 8.262 0.433 1.00 72.55 H new ATOM 2132 N LYS A 140 -1.452 12.560 2.009 1.00 62.41 N ATOM 2133 CA LYS A 140 -1.411 13.931 2.538 1.00 1.31 C ATOM 2134 C LYS A 140 -1.570 13.965 4.067 1.00 25.44 C ATOM 2135 O LYS A 140 -2.349 13.206 4.642 1.00 2.25 O ATOM 2136 CB LYS A 140 -2.489 14.784 1.853 1.00 41.42 C ATOM 2137 CG LYS A 140 -3.899 14.202 1.932 1.00 4.52 C ATOM 2138 CD LYS A 140 -4.878 14.966 1.039 1.00 74.40 C ATOM 2139 CE LYS A 140 -5.005 16.432 1.445 1.00 53.00 C ATOM 2140 NZ LYS A 140 -5.907 17.184 0.533 1.00 10.30 N ATOM 0 H LYS A 140 -2.323 12.061 2.192 1.00 62.41 H new ATOM 0 HA LYS A 140 -0.429 14.349 2.316 1.00 1.31 H new ATOM 0 HB2 LYS A 140 -2.492 15.775 2.306 1.00 41.42 H new ATOM 0 HB3 LYS A 140 -2.221 14.913 0.804 1.00 41.42 H new ATOM 0 HG2 LYS A 140 -3.877 13.154 1.634 1.00 4.52 H new ATOM 0 HG3 LYS A 140 -4.248 14.233 2.964 1.00 4.52 H new ATOM 0 HD2 LYS A 140 -4.545 14.905 0.003 1.00 74.40 H new ATOM 0 HD3 LYS A 140 -5.858 14.491 1.088 1.00 74.40 H new ATOM 0 HE2 LYS A 140 -5.385 16.495 2.465 1.00 53.00 H new ATOM 0 HE3 LYS A 140 -4.019 16.896 1.444 1.00 53.00 H new ATOM 0 HZ1 LYS A 140 -5.966 18.175 0.843 1.00 10.30 H new ATOM 0 HZ2 LYS A 140 -5.531 17.146 -0.436 1.00 10.30 H new ATOM 0 HZ3 LYS A 140 -6.855 16.758 0.553 1.00 10.30 H new ATOM 2154 N GLY A 141 -0.820 14.856 4.717 1.00 53.55 N ATOM 2155 CA GLY A 141 -0.857 14.964 6.173 1.00 4.20 C ATOM 2156 C GLY A 141 0.149 14.052 6.875 1.00 72.43 C ATOM 2157 O GLY A 141 0.015 13.773 8.068 1.00 12.31 O ATOM 0 H GLY A 141 -0.184 15.509 4.260 1.00 53.55 H new ATOM 0 HA2 GLY A 141 -0.660 15.997 6.458 1.00 4.20 H new ATOM 0 HA3 GLY A 141 -1.861 14.722 6.522 1.00 4.20 H new ATOM 2161 N ILE A 142 1.167 13.597 6.143 1.00 21.12 N ATOM 2162 CA ILE A 142 2.170 12.689 6.709 1.00 64.42 C ATOM 2163 C ILE A 142 3.514 12.764 5.951 1.00 75.21 C ATOM 2164 O ILE A 142 3.551 12.756 4.719 1.00 12.32 O ATOM 2165 CB ILE A 142 1.641 11.230 6.723 1.00 45.32 C ATOM 2166 CG1 ILE A 142 2.618 10.300 7.462 1.00 22.51 C ATOM 2167 CG2 ILE A 142 1.390 10.729 5.297 1.00 4.23 C ATOM 2168 CD1 ILE A 142 2.044 8.933 7.781 1.00 44.41 C ATOM 0 H ILE A 142 1.320 13.839 5.164 1.00 21.12 H new ATOM 0 HA ILE A 142 2.353 13.011 7.734 1.00 64.42 H new ATOM 0 HB ILE A 142 0.692 11.220 7.259 1.00 45.32 H new ATOM 0 HG12 ILE A 142 3.514 10.174 6.854 1.00 22.51 H new ATOM 0 HG13 ILE A 142 2.928 10.779 8.391 1.00 22.51 H new ATOM 0 HG21 ILE A 142 1.020 9.704 5.331 1.00 4.23 H new ATOM 0 HG22 ILE A 142 0.650 11.366 4.812 1.00 4.23 H new ATOM 0 HG23 ILE A 142 2.321 10.759 4.731 1.00 4.23 H new ATOM 0 HD11 ILE A 142 2.793 8.336 8.302 1.00 44.41 H new ATOM 0 HD12 ILE A 142 1.165 9.046 8.416 1.00 44.41 H new ATOM 0 HD13 ILE A 142 1.761 8.432 6.855 1.00 44.41 H new ATOM 2180 N SER A 143 4.613 12.843 6.703 1.00 55.33 N ATOM 2181 CA SER A 143 5.964 12.961 6.119 1.00 50.42 C ATOM 2182 C SER A 143 6.493 11.607 5.617 1.00 25.51 C ATOM 2183 O SER A 143 6.111 10.553 6.129 1.00 22.34 O ATOM 2184 CB SER A 143 6.937 13.534 7.160 1.00 73.31 C ATOM 2185 OG SER A 143 6.444 14.743 7.725 1.00 0.45 O ATOM 0 H SER A 143 4.601 12.828 7.723 1.00 55.33 H new ATOM 0 HA SER A 143 5.892 13.633 5.264 1.00 50.42 H new ATOM 0 HB2 SER A 143 7.099 12.801 7.951 1.00 73.31 H new ATOM 0 HB3 SER A 143 7.905 13.718 6.693 1.00 73.31 H new ATOM 0 HG SER A 143 7.085 15.081 8.385 1.00 0.45 H new ATOM 2191 N VAL A 144 7.399 11.646 4.639 1.00 45.22 N ATOM 2192 CA VAL A 144 7.939 10.427 4.015 1.00 50.11 C ATOM 2193 C VAL A 144 8.641 9.504 5.030 1.00 14.54 C ATOM 2194 O VAL A 144 8.410 8.292 5.040 1.00 14.13 O ATOM 2195 CB VAL A 144 8.905 10.767 2.845 1.00 44.13 C ATOM 2196 CG1 VAL A 144 10.076 11.628 3.316 1.00 33.31 C ATOM 2197 CG2 VAL A 144 9.407 9.491 2.165 1.00 64.22 C ATOM 0 H VAL A 144 7.779 12.512 4.257 1.00 45.22 H new ATOM 0 HA VAL A 144 7.081 9.886 3.616 1.00 50.11 H new ATOM 0 HB VAL A 144 8.343 11.347 2.113 1.00 44.13 H new ATOM 0 HG11 VAL A 144 10.730 11.846 2.472 1.00 33.31 H new ATOM 0 HG12 VAL A 144 9.697 12.562 3.732 1.00 33.31 H new ATOM 0 HG13 VAL A 144 10.637 11.092 4.081 1.00 33.31 H new ATOM 0 HG21 VAL A 144 10.081 9.754 1.350 1.00 64.22 H new ATOM 0 HG22 VAL A 144 9.939 8.877 2.892 1.00 64.22 H new ATOM 0 HG23 VAL A 144 8.559 8.932 1.769 1.00 64.22 H new ATOM 2207 N ASP A 145 9.486 10.073 5.888 1.00 63.13 N ATOM 2208 CA ASP A 145 10.180 9.291 6.919 1.00 75.12 C ATOM 2209 C ASP A 145 9.227 8.932 8.070 1.00 54.51 C ATOM 2210 O ASP A 145 9.495 8.026 8.862 1.00 3.31 O ATOM 2211 CB ASP A 145 11.391 10.069 7.448 1.00 52.24 C ATOM 2212 CG ASP A 145 12.206 9.268 8.454 1.00 12.24 C ATOM 2213 OD1 ASP A 145 12.941 8.349 8.035 1.00 55.21 O ATOM 2214 OD2 ASP A 145 12.112 9.549 9.670 1.00 63.24 O ATOM 0 H ASP A 145 9.708 11.068 5.893 1.00 63.13 H new ATOM 0 HA ASP A 145 10.529 8.362 6.468 1.00 75.12 H new ATOM 0 HB2 ASP A 145 12.030 10.353 6.612 1.00 52.24 H new ATOM 0 HB3 ASP A 145 11.049 10.992 7.915 1.00 52.24 H new ATOM 2219 N GLN A 146 8.103 9.641 8.150 1.00 32.32 N ATOM 2220 CA GLN A 146 7.112 9.406 9.203 1.00 60.12 C ATOM 2221 C GLN A 146 6.021 8.423 8.746 1.00 61.24 C ATOM 2222 O GLN A 146 5.031 8.212 9.444 1.00 44.14 O ATOM 2223 CB GLN A 146 6.490 10.739 9.649 1.00 32.20 C ATOM 2224 CG GLN A 146 7.502 11.709 10.251 1.00 43.42 C ATOM 2225 CD GLN A 146 8.195 11.144 11.479 1.00 51.14 C ATOM 2226 OE1 GLN A 146 7.618 10.371 12.238 1.00 21.20 O ATOM 2227 NE2 GLN A 146 9.446 11.505 11.671 1.00 61.43 N ATOM 0 H GLN A 146 7.854 10.385 7.498 1.00 32.32 H new ATOM 0 HA GLN A 146 7.624 8.952 10.052 1.00 60.12 H new ATOM 0 HB2 GLN A 146 6.010 11.212 8.792 1.00 32.20 H new ATOM 0 HB3 GLN A 146 5.709 10.539 10.382 1.00 32.20 H new ATOM 0 HG2 GLN A 146 8.250 11.960 9.499 1.00 43.42 H new ATOM 0 HG3 GLN A 146 6.996 12.636 10.519 1.00 43.42 H new ATOM 0 HE21 GLN A 146 9.896 12.149 11.021 1.00 61.43 H new ATOM 0 HE22 GLN A 146 9.965 11.140 12.470 1.00 61.43 H new ATOM 2236 N LEU A 147 6.210 7.830 7.568 1.00 73.43 N ATOM 2237 CA LEU A 147 5.313 6.785 7.065 1.00 23.11 C ATOM 2238 C LEU A 147 5.562 5.445 7.774 1.00 34.41 C ATOM 2239 O LEU A 147 6.612 4.817 7.605 1.00 33.13 O ATOM 2240 CB LEU A 147 5.484 6.618 5.546 1.00 72.41 C ATOM 2241 CG LEU A 147 4.744 7.649 4.677 1.00 24.12 C ATOM 2242 CD1 LEU A 147 5.161 7.520 3.213 1.00 25.33 C ATOM 2243 CD2 LEU A 147 3.233 7.478 4.816 1.00 51.15 C ATOM 0 H LEU A 147 6.981 8.056 6.939 1.00 73.43 H new ATOM 0 HA LEU A 147 4.290 7.095 7.277 1.00 23.11 H new ATOM 0 HB2 LEU A 147 6.547 6.667 5.310 1.00 72.41 H new ATOM 0 HB3 LEU A 147 5.141 5.622 5.267 1.00 72.41 H new ATOM 0 HG LEU A 147 5.015 8.646 5.025 1.00 24.12 H new ATOM 0 HD11 LEU A 147 4.626 8.258 2.616 1.00 25.33 H new ATOM 0 HD12 LEU A 147 6.234 7.690 3.124 1.00 25.33 H new ATOM 0 HD13 LEU A 147 4.921 6.519 2.853 1.00 25.33 H new ATOM 0 HD21 LEU A 147 2.725 8.215 4.195 1.00 51.15 H new ATOM 0 HD22 LEU A 147 2.949 6.476 4.495 1.00 51.15 H new ATOM 0 HD23 LEU A 147 2.945 7.621 5.858 1.00 51.15 H new ATOM 2255 N GLY A 148 4.594 5.020 8.576 1.00 41.05 N ATOM 2256 CA GLY A 148 4.695 3.744 9.271 1.00 71.44 C ATOM 2257 C GLY A 148 4.197 2.571 8.435 1.00 3.15 C ATOM 2258 O GLY A 148 4.867 1.540 8.334 1.00 12.22 O ATOM 0 H GLY A 148 3.734 5.537 8.760 1.00 41.05 H new ATOM 0 HA2 GLY A 148 5.734 3.569 9.550 1.00 71.44 H new ATOM 0 HA3 GLY A 148 4.121 3.794 10.196 1.00 71.44 H new ATOM 2262 N PHE A 149 3.016 2.726 7.830 1.00 50.34 N ATOM 2263 CA PHE A 149 2.422 1.659 7.011 1.00 24.44 C ATOM 2264 C PHE A 149 1.410 2.205 5.989 1.00 72.13 C ATOM 2265 O PHE A 149 0.779 3.241 6.208 1.00 33.24 O ATOM 2266 CB PHE A 149 1.729 0.617 7.908 1.00 61.23 C ATOM 2267 CG PHE A 149 0.476 1.125 8.588 1.00 44.51 C ATOM 2268 CD1 PHE A 149 0.559 1.953 9.698 1.00 53.04 C ATOM 2269 CD2 PHE A 149 -0.785 0.774 8.116 1.00 2.30 C ATOM 2270 CE1 PHE A 149 -0.582 2.419 10.322 1.00 61.42 C ATOM 2271 CE2 PHE A 149 -1.929 1.238 8.737 1.00 32.14 C ATOM 2272 CZ PHE A 149 -1.826 2.062 9.841 1.00 51.32 C ATOM 0 H PHE A 149 2.453 3.574 7.890 1.00 50.34 H new ATOM 0 HA PHE A 149 3.238 1.191 6.460 1.00 24.44 H new ATOM 0 HB2 PHE A 149 1.475 -0.255 7.305 1.00 61.23 H new ATOM 0 HB3 PHE A 149 2.433 0.283 8.670 1.00 61.23 H new ATOM 0 HD1 PHE A 149 1.529 2.237 10.079 1.00 53.04 H new ATOM 0 HD2 PHE A 149 -0.871 0.130 7.253 1.00 2.30 H new ATOM 0 HE1 PHE A 149 -0.501 3.062 11.186 1.00 61.42 H new ATOM 0 HE2 PHE A 149 -2.901 0.957 8.360 1.00 32.14 H new ATOM 0 HZ PHE A 149 -2.718 2.427 10.328 1.00 51.32 H new ATOM 2282 N VAL A 150 1.273 1.493 4.871 1.00 14.12 N ATOM 2283 CA VAL A 150 0.250 1.786 3.860 1.00 25.23 C ATOM 2284 C VAL A 150 -0.656 0.553 3.663 1.00 53.42 C ATOM 2285 O VAL A 150 -0.314 -0.386 2.946 1.00 41.04 O ATOM 2286 CB VAL A 150 0.891 2.191 2.504 1.00 11.23 C ATOM 2287 CG1 VAL A 150 -0.180 2.527 1.467 1.00 54.33 C ATOM 2288 CG2 VAL A 150 1.856 3.366 2.688 1.00 22.14 C ATOM 0 H VAL A 150 1.866 0.697 4.638 1.00 14.12 H new ATOM 0 HA VAL A 150 -0.345 2.627 4.215 1.00 25.23 H new ATOM 0 HB VAL A 150 1.459 1.337 2.135 1.00 11.23 H new ATOM 0 HG11 VAL A 150 0.298 2.807 0.528 1.00 54.33 H new ATOM 0 HG12 VAL A 150 -0.816 1.656 1.305 1.00 54.33 H new ATOM 0 HG13 VAL A 150 -0.787 3.358 1.827 1.00 54.33 H new ATOM 0 HG21 VAL A 150 2.293 3.632 1.726 1.00 22.14 H new ATOM 0 HG22 VAL A 150 1.314 4.222 3.090 1.00 22.14 H new ATOM 0 HG23 VAL A 150 2.649 3.081 3.380 1.00 22.14 H new ATOM 2298 N ARG A 151 -1.802 0.556 4.334 1.00 50.44 N ATOM 2299 CA ARG A 151 -2.694 -0.609 4.383 1.00 0.02 C ATOM 2300 C ARG A 151 -3.803 -0.542 3.315 1.00 63.03 C ATOM 2301 O ARG A 151 -4.815 0.132 3.492 1.00 23.34 O ATOM 2302 CB ARG A 151 -3.291 -0.700 5.792 1.00 22.13 C ATOM 2303 CG ARG A 151 -4.267 -1.850 6.014 1.00 13.41 C ATOM 2304 CD ARG A 151 -4.789 -1.844 7.447 1.00 12.54 C ATOM 2305 NE ARG A 151 -5.733 -2.923 7.705 1.00 35.20 N ATOM 2306 CZ ARG A 151 -6.265 -3.153 8.876 1.00 52.43 C ATOM 2307 NH1 ARG A 151 -5.964 -2.408 9.899 1.00 43.04 N ATOM 2308 NH2 ARG A 151 -7.104 -4.128 9.022 1.00 2.32 N ATOM 0 H ARG A 151 -2.143 1.361 4.860 1.00 50.44 H new ATOM 0 HA ARG A 151 -2.116 -1.506 4.161 1.00 0.02 H new ATOM 0 HB2 ARG A 151 -2.475 -0.794 6.509 1.00 22.13 H new ATOM 0 HB3 ARG A 151 -3.803 0.237 6.013 1.00 22.13 H new ATOM 0 HG2 ARG A 151 -5.101 -1.765 5.317 1.00 13.41 H new ATOM 0 HG3 ARG A 151 -3.773 -2.799 5.806 1.00 13.41 H new ATOM 0 HD2 ARG A 151 -3.949 -1.929 8.136 1.00 12.54 H new ATOM 0 HD3 ARG A 151 -5.272 -0.888 7.650 1.00 12.54 H new ATOM 0 HE ARG A 151 -5.993 -3.532 6.929 1.00 35.20 H new ATOM 0 HH11 ARG A 151 -5.307 -1.635 9.791 1.00 43.04 H new ATOM 0 HH12 ARG A 151 -6.385 -2.596 10.809 1.00 43.04 H new ATOM 0 HH21 ARG A 151 -7.348 -4.714 8.224 1.00 2.32 H new ATOM 0 HH22 ARG A 151 -7.521 -4.310 9.935 1.00 2.32 H new ATOM 2322 N ILE A 152 -3.603 -1.251 2.210 1.00 44.22 N ATOM 2323 CA ILE A 152 -4.566 -1.261 1.097 1.00 35.22 C ATOM 2324 C ILE A 152 -5.745 -2.207 1.395 1.00 24.13 C ATOM 2325 O ILE A 152 -5.538 -3.285 1.942 1.00 62.45 O ATOM 2326 CB ILE A 152 -3.890 -1.725 -0.221 1.00 15.12 C ATOM 2327 CG1 ILE A 152 -2.496 -1.092 -0.388 1.00 64.44 C ATOM 2328 CG2 ILE A 152 -4.776 -1.399 -1.422 1.00 41.14 C ATOM 2329 CD1 ILE A 152 -2.495 0.418 -0.501 1.00 50.31 C ATOM 0 H ILE A 152 -2.780 -1.832 2.053 1.00 44.22 H new ATOM 0 HA ILE A 152 -4.932 -0.240 0.984 1.00 35.22 H new ATOM 0 HB ILE A 152 -3.761 -2.806 -0.168 1.00 15.12 H new ATOM 0 HG12 ILE A 152 -1.877 -1.379 0.462 1.00 64.44 H new ATOM 0 HG13 ILE A 152 -2.027 -1.510 -1.279 1.00 64.44 H new ATOM 0 HG21 ILE A 152 -4.286 -1.732 -2.337 1.00 41.14 H new ATOM 0 HG22 ILE A 152 -5.733 -1.910 -1.317 1.00 41.14 H new ATOM 0 HG23 ILE A 152 -4.942 -0.323 -1.470 1.00 41.14 H new ATOM 0 HD11 ILE A 152 -1.471 0.774 -0.615 1.00 50.31 H new ATOM 0 HD12 ILE A 152 -3.083 0.718 -1.369 1.00 50.31 H new ATOM 0 HD13 ILE A 152 -2.931 0.851 0.400 1.00 50.31 H new ATOM 2341 N HIS A 153 -6.979 -1.813 1.039 1.00 61.12 N ATOM 2342 CA HIS A 153 -8.153 -2.686 1.243 1.00 64.04 C ATOM 2343 C HIS A 153 -9.372 -2.259 0.395 1.00 10.32 C ATOM 2344 O HIS A 153 -9.407 -1.161 -0.165 1.00 5.31 O ATOM 2345 CB HIS A 153 -8.543 -2.733 2.735 1.00 21.44 C ATOM 2346 CG HIS A 153 -8.939 -1.407 3.317 1.00 34.13 C ATOM 2347 ND1 HIS A 153 -10.209 -1.137 3.780 1.00 15.33 N ATOM 2348 CD2 HIS A 153 -8.220 -0.278 3.529 1.00 23.41 C ATOM 2349 CE1 HIS A 153 -10.256 0.093 4.247 1.00 54.40 C ATOM 2350 NE2 HIS A 153 -9.067 0.635 4.109 1.00 31.42 N ATOM 0 H HIS A 153 -7.191 -0.910 0.615 1.00 61.12 H new ATOM 0 HA HIS A 153 -7.859 -3.681 0.910 1.00 64.04 H new ATOM 0 HB2 HIS A 153 -9.370 -3.432 2.859 1.00 21.44 H new ATOM 0 HB3 HIS A 153 -7.703 -3.129 3.305 1.00 21.44 H new ATOM 0 HD1 HIS A 153 -10.992 -1.790 3.763 1.00 15.33 H new ATOM 0 HD2 HIS A 153 -7.178 -0.125 3.288 1.00 23.41 H new ATOM 0 HE1 HIS A 153 -11.124 0.575 4.671 1.00 54.40 H new ATOM 0 HE2 HIS A 153 -8.813 1.583 4.388 1.00 31.42 H new ATOM 2359 N ASP A 154 -10.367 -3.153 0.314 1.00 2.41 N ATOM 2360 CA ASP A 154 -11.628 -2.899 -0.410 1.00 33.23 C ATOM 2361 C ASP A 154 -11.417 -2.653 -1.918 1.00 63.14 C ATOM 2362 O ASP A 154 -12.127 -1.852 -2.530 1.00 61.11 O ATOM 2363 CB ASP A 154 -12.384 -1.720 0.223 1.00 13.44 C ATOM 2364 CG ASP A 154 -12.764 -1.991 1.666 1.00 52.32 C ATOM 2365 OD1 ASP A 154 -13.214 -3.119 1.966 1.00 21.23 O ATOM 2366 OD2 ASP A 154 -12.621 -1.085 2.508 1.00 73.55 O ATOM 0 H ASP A 154 -10.324 -4.075 0.748 1.00 2.41 H new ATOM 0 HA ASP A 154 -12.227 -3.805 -0.320 1.00 33.23 H new ATOM 0 HB2 ASP A 154 -11.764 -0.825 0.174 1.00 13.44 H new ATOM 0 HB3 ASP A 154 -13.285 -1.515 -0.356 1.00 13.44 H new ATOM 2371 N ILE A 155 -10.470 -3.373 -2.519 1.00 61.42 N ATOM 2372 CA ILE A 155 -10.196 -3.236 -3.953 1.00 45.42 C ATOM 2373 C ILE A 155 -11.313 -3.881 -4.801 1.00 33.24 C ATOM 2374 O ILE A 155 -11.499 -5.103 -4.799 1.00 22.23 O ATOM 2375 CB ILE A 155 -8.822 -3.848 -4.322 1.00 62.52 C ATOM 2376 CG1 ILE A 155 -7.706 -3.190 -3.495 1.00 52.43 C ATOM 2377 CG2 ILE A 155 -8.540 -3.692 -5.817 1.00 12.44 C ATOM 2378 CD1 ILE A 155 -7.599 -1.689 -3.691 1.00 74.34 C ATOM 0 H ILE A 155 -9.881 -4.054 -2.040 1.00 61.42 H new ATOM 0 HA ILE A 155 -10.169 -2.170 -4.177 1.00 45.42 H new ATOM 0 HB ILE A 155 -8.849 -4.913 -4.090 1.00 62.52 H new ATOM 0 HG12 ILE A 155 -7.879 -3.397 -2.439 1.00 52.43 H new ATOM 0 HG13 ILE A 155 -6.753 -3.650 -3.758 1.00 52.43 H new ATOM 0 HG21 ILE A 155 -7.570 -4.129 -6.052 1.00 12.44 H new ATOM 0 HG22 ILE A 155 -9.316 -4.202 -6.389 1.00 12.44 H new ATOM 0 HG23 ILE A 155 -8.534 -2.634 -6.078 1.00 12.44 H new ATOM 0 HD11 ILE A 155 -6.789 -1.298 -3.074 1.00 74.34 H new ATOM 0 HD12 ILE A 155 -7.394 -1.473 -4.739 1.00 74.34 H new ATOM 0 HD13 ILE A 155 -8.537 -1.216 -3.400 1.00 74.34 H new ATOM 2390 N GLN A 156 -12.040 -3.037 -5.528 1.00 12.44 N ATOM 2391 CA GLN A 156 -13.236 -3.444 -6.275 1.00 71.44 C ATOM 2392 C GLN A 156 -13.281 -2.773 -7.663 1.00 12.31 C ATOM 2393 O GLN A 156 -12.568 -1.801 -7.905 1.00 44.01 O ATOM 2394 CB GLN A 156 -14.475 -3.039 -5.461 1.00 23.45 C ATOM 2395 CG GLN A 156 -14.521 -1.550 -5.131 1.00 23.33 C ATOM 2396 CD GLN A 156 -15.661 -1.182 -4.200 1.00 73.31 C ATOM 2397 OE1 GLN A 156 -16.759 -0.861 -4.635 1.00 73.54 O ATOM 2398 NE2 GLN A 156 -15.401 -1.205 -2.907 1.00 60.24 N ATOM 0 H GLN A 156 -11.818 -2.045 -5.619 1.00 12.44 H new ATOM 0 HA GLN A 156 -13.213 -4.523 -6.428 1.00 71.44 H new ATOM 0 HB2 GLN A 156 -15.372 -3.308 -6.019 1.00 23.45 H new ATOM 0 HB3 GLN A 156 -14.494 -3.610 -4.533 1.00 23.45 H new ATOM 0 HG2 GLN A 156 -13.577 -1.256 -4.673 1.00 23.33 H new ATOM 0 HG3 GLN A 156 -14.617 -0.982 -6.056 1.00 23.33 H new ATOM 0 HE21 GLN A 156 -14.475 -1.477 -2.578 1.00 60.24 H new ATOM 0 HE22 GLN A 156 -16.126 -0.950 -2.236 1.00 60.24 H new ATOM 2407 N PRO A 157 -14.116 -3.271 -8.599 1.00 21.33 N ATOM 2408 CA PRO A 157 -14.284 -2.630 -9.919 1.00 62.15 C ATOM 2409 C PRO A 157 -14.870 -1.207 -9.818 1.00 24.32 C ATOM 2410 O PRO A 157 -15.692 -0.919 -8.944 1.00 73.25 O ATOM 2411 CB PRO A 157 -15.254 -3.567 -10.657 1.00 43.35 C ATOM 2412 CG PRO A 157 -15.950 -4.329 -9.578 1.00 41.43 C ATOM 2413 CD PRO A 157 -14.946 -4.484 -8.466 1.00 35.01 C ATOM 0 HA PRO A 157 -13.329 -2.501 -10.429 1.00 62.15 H new ATOM 0 HB2 PRO A 157 -15.963 -3.003 -11.263 1.00 43.35 H new ATOM 0 HB3 PRO A 157 -14.720 -4.236 -11.332 1.00 43.35 H new ATOM 0 HG2 PRO A 157 -16.836 -3.796 -9.233 1.00 41.43 H new ATOM 0 HG3 PRO A 157 -16.284 -5.301 -9.940 1.00 41.43 H new ATOM 0 HD2 PRO A 157 -15.429 -4.538 -7.490 1.00 35.01 H new ATOM 0 HD3 PRO A 157 -14.355 -5.393 -8.580 1.00 35.01 H new ATOM 2421 N VAL A 158 -14.449 -0.321 -10.722 1.00 33.20 N ATOM 2422 CA VAL A 158 -14.902 1.086 -10.710 1.00 0.11 C ATOM 2423 C VAL A 158 -16.237 1.281 -11.450 1.00 20.23 C ATOM 2424 O VAL A 158 -16.588 2.402 -11.821 1.00 23.30 O ATOM 2425 CB VAL A 158 -13.845 2.018 -11.357 1.00 54.34 C ATOM 2426 CG1 VAL A 158 -12.514 1.920 -10.625 1.00 30.41 C ATOM 2427 CG2 VAL A 158 -13.675 1.698 -12.841 1.00 55.12 C ATOM 0 H VAL A 158 -13.796 -0.544 -11.473 1.00 33.20 H new ATOM 0 HA VAL A 158 -15.042 1.345 -9.661 1.00 0.11 H new ATOM 0 HB VAL A 158 -14.202 3.044 -11.271 1.00 54.34 H new ATOM 0 HG11 VAL A 158 -11.789 2.583 -11.098 1.00 30.41 H new ATOM 0 HG12 VAL A 158 -12.649 2.213 -9.584 1.00 30.41 H new ATOM 0 HG13 VAL A 158 -12.149 0.894 -10.669 1.00 30.41 H new ATOM 0 HG21 VAL A 158 -12.929 2.364 -13.274 1.00 55.12 H new ATOM 0 HG22 VAL A 158 -13.348 0.664 -12.955 1.00 55.12 H new ATOM 0 HG23 VAL A 158 -14.626 1.837 -13.354 1.00 55.12 H new ATOM 2437 N MET A 159 -16.991 0.205 -11.635 1.00 35.23 N ATOM 2438 CA MET A 159 -18.193 0.254 -12.476 1.00 23.33 C ATOM 2439 C MET A 159 -19.304 -0.670 -11.958 1.00 75.31 C ATOM 2440 O MET A 159 -19.253 -1.160 -10.830 1.00 5.20 O ATOM 2441 CB MET A 159 -17.814 -0.136 -13.912 1.00 70.45 C ATOM 2442 CG MET A 159 -17.281 -1.560 -14.038 1.00 33.34 C ATOM 2443 SD MET A 159 -16.605 -1.909 -15.672 1.00 23.21 S ATOM 2444 CE MET A 159 -15.249 -0.738 -15.727 1.00 24.34 C ATOM 0 H MET A 159 -16.799 -0.707 -11.221 1.00 35.23 H new ATOM 0 HA MET A 159 -18.584 1.271 -12.448 1.00 23.33 H new ATOM 0 HB2 MET A 159 -18.689 -0.027 -14.552 1.00 70.45 H new ATOM 0 HB3 MET A 159 -17.060 0.559 -14.281 1.00 70.45 H new ATOM 0 HG2 MET A 159 -16.507 -1.721 -13.287 1.00 33.34 H new ATOM 0 HG3 MET A 159 -18.085 -2.264 -13.824 1.00 33.34 H new ATOM 0 HE1 MET A 159 -14.495 -1.087 -16.432 1.00 24.34 H new ATOM 0 HE2 MET A 159 -15.621 0.235 -16.047 1.00 24.34 H new ATOM 0 HE3 MET A 159 -14.805 -0.649 -14.736 1.00 24.34 H new ATOM 2454 N GLN A 160 -20.319 -0.873 -12.796 1.00 70.24 N ATOM 2455 CA GLN A 160 -21.407 -1.818 -12.515 1.00 74.12 C ATOM 2456 C GLN A 160 -20.931 -3.281 -12.610 1.00 3.44 C ATOM 2457 O GLN A 160 -19.734 -3.551 -12.714 1.00 31.43 O ATOM 2458 CB GLN A 160 -22.552 -1.580 -13.513 1.00 3.01 C ATOM 2459 CG GLN A 160 -22.116 -1.708 -14.971 1.00 62.12 C ATOM 2460 CD GLN A 160 -23.218 -1.363 -15.955 1.00 24.02 C ATOM 2461 OE1 GLN A 160 -23.980 -2.221 -16.388 1.00 42.02 O ATOM 2462 NE2 GLN A 160 -23.314 -0.100 -16.313 1.00 40.33 N ATOM 0 H GLN A 160 -20.414 -0.389 -13.689 1.00 70.24 H new ATOM 0 HA GLN A 160 -21.752 -1.648 -11.495 1.00 74.12 H new ATOM 0 HB2 GLN A 160 -23.352 -2.294 -13.316 1.00 3.01 H new ATOM 0 HB3 GLN A 160 -22.966 -0.585 -13.350 1.00 3.01 H new ATOM 0 HG2 GLN A 160 -21.262 -1.054 -15.147 1.00 62.12 H new ATOM 0 HG3 GLN A 160 -21.779 -2.728 -15.155 1.00 62.12 H new ATOM 0 HE21 GLN A 160 -22.664 0.588 -15.934 1.00 40.33 H new ATOM 0 HE22 GLN A 160 -24.039 0.190 -16.970 1.00 40.33 H new ATOM 2471 N LEU A 161 -21.886 -4.216 -12.577 1.00 72.42 N ATOM 2472 CA LEU A 161 -21.595 -5.654 -12.703 1.00 32.10 C ATOM 2473 C LEU A 161 -20.724 -6.174 -11.542 1.00 34.21 C ATOM 2474 O LEU A 161 -19.979 -7.145 -11.696 1.00 33.23 O ATOM 2475 CB LEU A 161 -20.927 -5.949 -14.057 1.00 62.23 C ATOM 2476 CG LEU A 161 -21.756 -5.557 -15.293 1.00 12.34 C ATOM 2477 CD1 LEU A 161 -21.021 -5.924 -16.579 1.00 34.33 C ATOM 2478 CD2 LEU A 161 -23.135 -6.215 -15.248 1.00 72.34 C ATOM 0 H LEU A 161 -22.877 -4.003 -12.463 1.00 72.42 H new ATOM 0 HA LEU A 161 -22.546 -6.185 -12.654 1.00 32.10 H new ATOM 0 HB2 LEU A 161 -19.973 -5.423 -14.096 1.00 62.23 H new ATOM 0 HB3 LEU A 161 -20.705 -7.015 -14.111 1.00 62.23 H new ATOM 0 HG LEU A 161 -21.894 -4.476 -15.281 1.00 12.34 H new ATOM 0 HD11 LEU A 161 -21.627 -5.637 -17.439 1.00 34.33 H new ATOM 0 HD12 LEU A 161 -20.067 -5.398 -16.616 1.00 34.33 H new ATOM 0 HD13 LEU A 161 -20.844 -6.999 -16.603 1.00 34.33 H new ATOM 0 HD21 LEU A 161 -23.705 -5.925 -16.131 1.00 72.34 H new ATOM 0 HD22 LEU A 161 -23.021 -7.299 -15.230 1.00 72.34 H new ATOM 0 HD23 LEU A 161 -23.664 -5.891 -14.352 1.00 72.34 H new ATOM 2490 N GLU A 162 -20.844 -5.540 -10.376 1.00 62.23 N ATOM 2491 CA GLU A 162 -20.120 -5.974 -9.174 1.00 0.41 C ATOM 2492 C GLU A 162 -20.587 -7.362 -8.701 1.00 65.54 C ATOM 2493 O GLU A 162 -21.758 -7.727 -8.852 1.00 63.11 O ATOM 2494 CB GLU A 162 -20.308 -4.944 -8.047 1.00 22.14 C ATOM 2495 CG GLU A 162 -19.685 -5.333 -6.706 1.00 43.55 C ATOM 2496 CD GLU A 162 -18.163 -5.402 -6.746 1.00 4.15 C ATOM 2497 OE1 GLU A 162 -17.622 -6.481 -7.065 1.00 12.23 O ATOM 2498 OE2 GLU A 162 -17.512 -4.377 -6.451 1.00 65.23 O ATOM 0 H GLU A 162 -21.436 -4.722 -10.235 1.00 62.23 H new ATOM 0 HA GLU A 162 -19.063 -6.047 -9.429 1.00 0.41 H new ATOM 0 HB2 GLU A 162 -19.880 -3.994 -8.368 1.00 22.14 H new ATOM 0 HB3 GLU A 162 -21.375 -4.779 -7.900 1.00 22.14 H new ATOM 0 HG2 GLU A 162 -19.989 -4.611 -5.949 1.00 43.55 H new ATOM 0 HG3 GLU A 162 -20.078 -6.302 -6.398 1.00 43.55 H new ATOM 2505 N HIS A 163 -19.659 -8.126 -8.128 1.00 2.52 N ATOM 2506 CA HIS A 163 -19.949 -9.460 -7.590 1.00 3.54 C ATOM 2507 C HIS A 163 -18.848 -9.903 -6.611 1.00 35.12 C ATOM 2508 O HIS A 163 -17.698 -10.126 -7.000 1.00 24.54 O ATOM 2509 CB HIS A 163 -20.138 -10.490 -8.721 1.00 61.21 C ATOM 2510 CG HIS A 163 -18.976 -10.606 -9.663 1.00 52.11 C ATOM 2511 ND1 HIS A 163 -18.523 -9.765 -10.621 1.00 23.44 N flip ATOM 2512 CD2 HIS A 163 -18.162 -11.716 -9.719 1.00 2.31 C flip ATOM 2513 CE1 HIS A 163 -17.453 -10.377 -11.227 1.00 64.30 C flip ATOM 2514 NE2 HIS A 163 -17.257 -11.552 -10.661 1.00 65.44 N flip ATOM 0 H HIS A 163 -18.685 -7.841 -8.022 1.00 2.52 H new ATOM 0 HA HIS A 163 -20.888 -9.404 -7.039 1.00 3.54 H new ATOM 0 HB2 HIS A 163 -20.327 -11.467 -8.276 1.00 61.21 H new ATOM 0 HB3 HIS A 163 -21.027 -10.223 -9.293 1.00 61.21 H new ATOM 0 HD1 HIS A 163 -18.905 -8.847 -10.851 1.00 23.44 H new ATOM 0 HD2 HIS A 163 -18.252 -12.587 -9.087 1.00 2.31 H new ATOM 0 HE1 HIS A 163 -16.868 -9.964 -12.035 1.00 64.30 H new ATOM 2523 N HIS A 164 -19.218 -10.038 -5.339 1.00 10.14 N ATOM 2524 CA HIS A 164 -18.254 -10.266 -4.255 1.00 34.32 C ATOM 2525 C HIS A 164 -17.677 -11.698 -4.284 1.00 73.33 C ATOM 2526 O HIS A 164 -18.357 -12.643 -4.681 1.00 75.42 O ATOM 2527 CB HIS A 164 -18.936 -9.985 -2.908 1.00 44.11 C ATOM 2528 CG HIS A 164 -19.766 -8.726 -2.911 1.00 12.31 C ATOM 2529 ND1 HIS A 164 -19.318 -7.523 -3.416 1.00 41.31 N ATOM 2530 CD2 HIS A 164 -21.035 -8.495 -2.489 1.00 63.31 C ATOM 2531 CE1 HIS A 164 -20.267 -6.615 -3.308 1.00 65.32 C ATOM 2532 NE2 HIS A 164 -21.319 -7.176 -2.748 1.00 22.51 N ATOM 0 H HIS A 164 -20.188 -9.993 -5.028 1.00 10.14 H new ATOM 0 HA HIS A 164 -17.414 -9.585 -4.394 1.00 34.32 H new ATOM 0 HB2 HIS A 164 -19.572 -10.831 -2.647 1.00 44.11 H new ATOM 0 HB3 HIS A 164 -18.174 -9.908 -2.132 1.00 44.11 H new ATOM 0 HD1 HIS A 164 -18.392 -7.361 -3.813 1.00 41.31 H new ATOM 0 HD2 HIS A 164 -21.699 -9.215 -2.034 1.00 63.31 H new ATOM 0 HE1 HIS A 164 -20.194 -5.585 -3.625 1.00 65.32 H new ATOM 2541 N HIS A 165 -16.420 -11.851 -3.850 1.00 54.34 N ATOM 2542 CA HIS A 165 -15.736 -13.156 -3.881 1.00 22.00 C ATOM 2543 C HIS A 165 -15.948 -13.961 -2.587 1.00 20.45 C ATOM 2544 O HIS A 165 -16.773 -14.872 -2.547 1.00 64.21 O ATOM 2545 CB HIS A 165 -14.234 -12.974 -4.145 1.00 30.35 C ATOM 2546 CG HIS A 165 -13.910 -12.553 -5.543 1.00 63.13 C ATOM 2547 ND1 HIS A 165 -12.641 -12.634 -6.072 1.00 52.45 N ATOM 2548 CD2 HIS A 165 -14.695 -12.062 -6.532 1.00 22.21 C ATOM 2549 CE1 HIS A 165 -12.656 -12.208 -7.318 1.00 53.21 C ATOM 2550 NE2 HIS A 165 -13.889 -11.858 -7.624 1.00 61.14 N ATOM 0 H HIS A 165 -15.854 -11.091 -3.473 1.00 54.34 H new ATOM 0 HA HIS A 165 -16.181 -13.725 -4.697 1.00 22.00 H new ATOM 0 HB2 HIS A 165 -13.841 -12.230 -3.452 1.00 30.35 H new ATOM 0 HB3 HIS A 165 -13.721 -13.912 -3.931 1.00 30.35 H new ATOM 0 HD1 HIS A 165 -11.817 -12.972 -5.575 1.00 52.45 H new ATOM 0 HD2 HIS A 165 -15.756 -11.868 -6.472 1.00 22.21 H new ATOM 0 HE1 HIS A 165 -11.802 -12.155 -7.977 1.00 53.21 H new ATOM 0 HE2 HIS A 165 -14.195 -11.494 -8.526 1.00 61.14 H new ATOM 2559 N HIS A 166 -15.200 -13.635 -1.527 1.00 0.13 N ATOM 2560 CA HIS A 166 -15.290 -14.389 -0.264 1.00 65.44 C ATOM 2561 C HIS A 166 -15.509 -13.475 0.951 1.00 5.21 C ATOM 2562 O HIS A 166 -15.742 -12.275 0.800 1.00 1.34 O ATOM 2563 CB HIS A 166 -14.063 -15.296 -0.061 1.00 63.45 C ATOM 2564 CG HIS A 166 -12.732 -14.621 -0.214 1.00 43.21 C ATOM 2565 ND1 HIS A 166 -11.998 -14.143 0.851 1.00 12.13 N ATOM 2566 CD2 HIS A 166 -11.975 -14.396 -1.313 1.00 31.43 C ATOM 2567 CE1 HIS A 166 -10.852 -13.659 0.414 1.00 1.34 C ATOM 2568 NE2 HIS A 166 -10.813 -13.801 -0.896 1.00 2.25 N ATOM 0 H HIS A 166 -14.532 -12.864 -1.514 1.00 0.13 H new ATOM 0 HA HIS A 166 -16.171 -15.026 -0.345 1.00 65.44 H new ATOM 0 HB2 HIS A 166 -14.117 -15.734 0.936 1.00 63.45 H new ATOM 0 HB3 HIS A 166 -14.118 -16.119 -0.774 1.00 63.45 H new ATOM 0 HD1 HIS A 166 -12.296 -14.161 1.826 1.00 12.13 H new ATOM 0 HD2 HIS A 166 -12.238 -14.640 -2.332 1.00 31.43 H new ATOM 0 HE1 HIS A 166 -10.077 -13.221 1.025 1.00 1.34 H new ATOM 2577 N HIS A 167 -15.435 -14.065 2.149 1.00 42.50 N ATOM 2578 CA HIS A 167 -15.830 -13.405 3.400 1.00 43.30 C ATOM 2579 C HIS A 167 -17.361 -13.254 3.450 1.00 42.11 C ATOM 2580 O HIS A 167 -17.902 -12.161 3.289 1.00 20.15 O ATOM 2581 CB HIS A 167 -15.124 -12.045 3.585 1.00 51.35 C ATOM 2582 CG HIS A 167 -15.382 -11.408 4.920 1.00 73.11 C ATOM 2583 ND1 HIS A 167 -16.075 -10.225 5.073 1.00 43.53 N ATOM 2584 CD2 HIS A 167 -15.024 -11.788 6.170 1.00 61.03 C ATOM 2585 CE1 HIS A 167 -16.137 -9.912 6.349 1.00 24.00 C ATOM 2586 NE2 HIS A 167 -15.507 -10.842 7.037 1.00 14.14 N ATOM 0 H HIS A 167 -15.098 -15.019 2.280 1.00 42.50 H new ATOM 0 HA HIS A 167 -15.511 -14.034 4.231 1.00 43.30 H new ATOM 0 HB2 HIS A 167 -14.050 -12.183 3.460 1.00 51.35 H new ATOM 0 HB3 HIS A 167 -15.452 -11.365 2.798 1.00 51.35 H new ATOM 0 HD2 HIS A 167 -14.462 -12.672 6.434 1.00 61.03 H new ATOM 0 HE1 HIS A 167 -16.622 -9.040 6.763 1.00 24.00 H new ATOM 0 HE2 HIS A 167 -15.396 -10.856 8.051 1.00 14.14 H new ATOM 2595 N HIS A 168 -18.051 -14.384 3.624 1.00 61.15 N ATOM 2596 CA HIS A 168 -19.523 -14.414 3.664 1.00 2.44 C ATOM 2597 C HIS A 168 -20.049 -14.611 5.103 1.00 32.33 C ATOM 2598 O HIS A 168 -20.223 -15.779 5.528 1.00 37.96 O ATOM 2599 CB HIS A 168 -20.050 -15.542 2.761 1.00 20.14 C ATOM 2600 CG HIS A 168 -19.694 -15.400 1.308 1.00 11.32 C ATOM 2601 ND1 HIS A 168 -20.623 -15.120 0.330 1.00 55.24 N ATOM 2602 CD2 HIS A 168 -18.510 -15.529 0.664 1.00 20.12 C ATOM 2603 CE1 HIS A 168 -20.028 -15.080 -0.844 1.00 32.44 C ATOM 2604 NE2 HIS A 168 -18.746 -15.325 -0.674 1.00 70.24 N ATOM 2605 OXT HIS A 168 -20.291 -13.602 5.802 1.00 37.96 O ATOM 0 H HIS A 168 -17.614 -15.298 3.741 1.00 61.15 H new ATOM 0 HA HIS A 168 -19.885 -13.452 3.301 1.00 2.44 H new ATOM 0 HB2 HIS A 168 -19.661 -16.493 3.125 1.00 20.14 H new ATOM 0 HB3 HIS A 168 -21.135 -15.586 2.853 1.00 20.14 H new ATOM 0 HD2 HIS A 168 -17.556 -15.751 1.118 1.00 20.12 H new ATOM 0 HE1 HIS A 168 -20.511 -14.880 -1.789 1.00 32.44 H new ATOM 0 HE2 HIS A 168 -18.044 -15.358 -1.413 1.00 70.24 H new TER 2614 HIS A 168