USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1108 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 53 ASN :FLIP amide:sc= -2.54 F(o=-3.7!,f=-1.2) USER MOD Set 1.2: A 103 TYR OH : rot -160:sc= 1.35 USER MOD Set 2.1: A 30 SER OG : rot 113:sc= -0.442 USER MOD Set 2.2: A 100 MET CE :methyl -176:sc= -1.05 (180deg=-1.12) USER MOD Set 3.1: A 68 GLN : amide:sc= -0.216 K(o=-2.7,f=-9.3!) USER MOD Set 3.2: A 129 LYS NZ :NH3+ -163:sc= -2.47 (180deg=-3.36!) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 154:sc= 0.0215 (180deg=-0.576) USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 23 MET CE :methyl -154:sc= -1.43 (180deg=-2.48) USER MOD Set 5.2: A 126 THR OG1 : rot -160:sc= 0 USER MOD Set 6.1: A 16 ASN : amide:sc=-0.000546 X(o=-0.00055,f=0) USER MOD Set 6.2: A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0914 (180deg=-0.531) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.523! (180deg=-0.7!) USER MOD Single : A 3 SER OG : rot 3:sc= 0.451 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.038) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.311 K(o=-0.31,f=-4.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.196 USER MOD Single : A 20 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.0059) USER MOD Single : A 22 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 35 ASN : amide:sc= -0.0731 K(o=-0.073,f=-0.79) USER MOD Single : A 36 GLN : amide:sc= -0.0552 K(o=-0.055,f=-0.63) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 45 THR OG1 : rot -131:sc= 0.693 USER MOD Single : A 50 ASN : amide:sc= -0.34 K(o=-0.34,f=-4.6!) USER MOD Single : A 54 TYR OH : rot 44:sc= 0.0282 USER MOD Single : A 58 ASN : amide:sc= 0.743 K(o=0.74,f=-5.4!) USER MOD Single : A 63 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 0.564 (180deg=0.48) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -1.86 (180deg=-2.2) USER MOD Single : A 77 THR OG1 : rot -168:sc= 1.62 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0.949 (180deg=0.796) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.2 (180deg=0.98) USER MOD Single : A 95 MET CE :methyl -104:sc= -1.08 (180deg=-4.95!) USER MOD Single : A 105 ASN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 106 MET CE :methyl -169:sc= 0 (180deg=-0.213) USER MOD Single : A 111 SER OG : rot 91:sc= 0.347 USER MOD Single : A 112 THR OG1 : rot -170:sc= 0.589 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 117 MET CE :methyl -136:sc= -0.343 (180deg=-1.08) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 142:sc= 1.27 (180deg=0.473) USER MOD Single : A 130 THR OG1 : rot -160:sc= -0.177 USER MOD Single : A 133 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.12) USER MOD Single : A 136 SER OG : rot 76:sc= 0.00141 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.153 54.995 16.097 1.00 75.40 N ATOM 2 CA MET A 1 -27.813 54.321 14.940 1.00 31.41 C ATOM 3 C MET A 1 -26.975 53.141 14.410 1.00 42.42 C ATOM 4 O MET A 1 -27.055 52.789 13.231 1.00 13.43 O ATOM 5 CB MET A 1 -28.071 55.341 13.815 1.00 54.44 C ATOM 6 CG MET A 1 -26.820 56.073 13.338 1.00 1.32 C ATOM 7 SD MET A 1 -26.076 57.091 14.629 1.00 50.53 S ATOM 8 CE MET A 1 -27.374 58.298 14.910 1.00 44.21 C ATOM 0 H1 MET A 1 -27.816 55.668 16.531 1.00 75.40 H new ATOM 0 H2 MET A 1 -26.873 54.282 16.801 1.00 75.40 H new ATOM 0 H3 MET A 1 -26.309 55.505 15.766 1.00 75.40 H new ATOM 0 HA MET A 1 -28.764 53.917 15.288 1.00 31.41 H new ATOM 0 HB2 MET A 1 -28.522 54.825 12.968 1.00 54.44 H new ATOM 0 HB3 MET A 1 -28.797 56.075 14.164 1.00 54.44 H new ATOM 0 HG2 MET A 1 -26.088 55.344 12.988 1.00 1.32 H new ATOM 0 HG3 MET A 1 -27.075 56.703 12.486 1.00 1.32 H new ATOM 0 HE1 MET A 1 -26.957 59.171 15.412 1.00 44.21 H new ATOM 0 HE2 MET A 1 -27.804 58.599 13.955 1.00 44.21 H new ATOM 0 HE3 MET A 1 -28.151 57.858 15.535 1.00 44.21 H new ATOM 20 N GLY A 2 -26.190 52.521 15.289 1.00 34.32 N ATOM 21 CA GLY A 2 -25.369 51.379 14.894 1.00 63.34 C ATOM 22 C GLY A 2 -24.806 50.614 16.089 1.00 63.43 C ATOM 23 O GLY A 2 -24.346 51.220 17.057 1.00 51.12 O ATOM 0 H GLY A 2 -26.105 52.787 16.270 1.00 34.32 H new ATOM 0 HA2 GLY A 2 -25.966 50.702 14.283 1.00 63.34 H new ATOM 0 HA3 GLY A 2 -24.545 51.728 14.271 1.00 63.34 H new ATOM 27 N SER A 3 -24.844 49.279 16.026 1.00 71.50 N ATOM 28 CA SER A 3 -24.336 48.424 17.118 1.00 54.41 C ATOM 29 C SER A 3 -23.979 47.012 16.624 1.00 30.32 C ATOM 30 O SER A 3 -24.336 46.620 15.510 1.00 53.13 O ATOM 31 CB SER A 3 -25.368 48.318 18.255 1.00 32.44 C ATOM 32 OG SER A 3 -25.593 49.576 18.875 1.00 61.35 O ATOM 0 H SER A 3 -25.221 48.761 15.232 1.00 71.50 H new ATOM 0 HA SER A 3 -23.428 48.898 17.491 1.00 54.41 H new ATOM 0 HB2 SER A 3 -26.308 47.933 17.859 1.00 32.44 H new ATOM 0 HB3 SER A 3 -25.018 47.602 18.999 1.00 32.44 H new ATOM 0 HG SER A 3 -25.075 50.267 18.411 1.00 61.35 H new ATOM 38 N SER A 4 -23.267 46.249 17.458 1.00 40.32 N ATOM 39 CA SER A 4 -22.895 44.866 17.120 1.00 41.14 C ATOM 40 C SER A 4 -22.456 44.071 18.361 1.00 62.21 C ATOM 41 O SER A 4 -22.135 44.644 19.405 1.00 62.32 O ATOM 42 CB SER A 4 -21.764 44.851 16.080 1.00 12.13 C ATOM 43 OG SER A 4 -20.587 45.479 16.578 1.00 34.42 O ATOM 0 H SER A 4 -22.936 46.562 18.371 1.00 40.32 H new ATOM 0 HA SER A 4 -23.783 44.389 16.704 1.00 41.14 H new ATOM 0 HB2 SER A 4 -21.538 43.822 15.802 1.00 12.13 H new ATOM 0 HB3 SER A 4 -22.094 45.361 15.175 1.00 12.13 H new ATOM 0 HG SER A 4 -19.887 45.451 15.893 1.00 34.42 H new ATOM 49 N HIS A 5 -22.461 42.743 18.236 1.00 21.23 N ATOM 50 CA HIS A 5 -21.979 41.840 19.289 1.00 34.22 C ATOM 51 C HIS A 5 -20.897 40.904 18.728 1.00 55.51 C ATOM 52 O HIS A 5 -21.030 40.379 17.618 1.00 75.23 O ATOM 53 CB HIS A 5 -23.150 41.041 19.875 1.00 72.52 C ATOM 54 CG HIS A 5 -24.154 41.906 20.577 1.00 62.42 C ATOM 55 ND1 HIS A 5 -25.294 42.386 19.972 1.00 53.01 N ATOM 56 CD2 HIS A 5 -24.175 42.392 21.840 1.00 14.22 C ATOM 57 CE1 HIS A 5 -25.967 43.128 20.827 1.00 2.03 C ATOM 58 NE2 HIS A 5 -25.312 43.149 21.967 1.00 31.45 N ATOM 0 H HIS A 5 -22.799 42.261 17.403 1.00 21.23 H new ATOM 0 HA HIS A 5 -21.535 42.430 20.091 1.00 34.22 H new ATOM 0 HB2 HIS A 5 -23.647 40.494 19.074 1.00 72.52 H new ATOM 0 HB3 HIS A 5 -22.764 40.300 20.575 1.00 72.52 H new ATOM 0 HD2 HIS A 5 -23.434 42.216 22.606 1.00 14.22 H new ATOM 0 HE1 HIS A 5 -26.900 43.634 20.626 1.00 2.03 H new ATOM 0 HE2 HIS A 5 -25.602 43.647 22.809 1.00 31.45 H new ATOM 67 N HIS A 6 -19.836 40.683 19.502 1.00 41.52 N ATOM 68 CA HIS A 6 -18.615 40.058 18.973 1.00 44.14 C ATOM 69 C HIS A 6 -18.152 38.852 19.814 1.00 70.34 C ATOM 70 O HIS A 6 -18.069 38.933 21.041 1.00 10.21 O ATOM 71 CB HIS A 6 -17.506 41.120 18.925 1.00 63.54 C ATOM 72 CG HIS A 6 -16.374 40.798 17.999 1.00 12.02 C ATOM 73 ND1 HIS A 6 -16.437 41.018 16.639 1.00 10.54 N ATOM 74 CD2 HIS A 6 -15.138 40.298 18.239 1.00 34.25 C ATOM 75 CE1 HIS A 6 -15.294 40.670 16.086 1.00 1.33 C ATOM 76 NE2 HIS A 6 -14.490 40.231 17.032 1.00 2.53 N ATOM 0 H HIS A 6 -19.792 40.924 20.492 1.00 41.52 H new ATOM 0 HA HIS A 6 -18.834 39.677 17.976 1.00 44.14 H new ATOM 0 HB2 HIS A 6 -17.945 42.071 18.624 1.00 63.54 H new ATOM 0 HB3 HIS A 6 -17.108 41.256 19.931 1.00 63.54 H new ATOM 0 HD2 HIS A 6 -14.738 40.007 19.199 1.00 34.25 H new ATOM 0 HE1 HIS A 6 -15.056 40.734 15.034 1.00 1.33 H new ATOM 0 HE2 HIS A 6 -13.538 39.895 16.890 1.00 2.53 H new ATOM 85 N HIS A 7 -17.845 37.739 19.136 1.00 64.31 N ATOM 86 CA HIS A 7 -17.266 36.545 19.783 1.00 55.44 C ATOM 87 C HIS A 7 -16.801 35.509 18.736 1.00 35.23 C ATOM 88 O HIS A 7 -17.590 35.054 17.904 1.00 43.34 O ATOM 89 CB HIS A 7 -18.264 35.904 20.767 1.00 52.33 C ATOM 90 CG HIS A 7 -19.556 35.451 20.146 1.00 24.11 C ATOM 91 ND1 HIS A 7 -20.673 36.253 20.077 1.00 23.41 N ATOM 92 CD2 HIS A 7 -19.915 34.269 19.581 1.00 0.31 C ATOM 93 CE1 HIS A 7 -21.656 35.592 19.502 1.00 51.22 C ATOM 94 NE2 HIS A 7 -21.224 34.390 19.192 1.00 24.33 N ATOM 0 H HIS A 7 -17.988 37.636 18.131 1.00 64.31 H new ATOM 0 HA HIS A 7 -16.393 36.873 20.347 1.00 55.44 H new ATOM 0 HB2 HIS A 7 -17.785 35.048 21.242 1.00 52.33 H new ATOM 0 HB3 HIS A 7 -18.488 36.622 21.556 1.00 52.33 H new ATOM 0 HD2 HIS A 7 -19.288 33.398 19.461 1.00 0.31 H new ATOM 0 HE1 HIS A 7 -22.649 35.973 19.316 1.00 51.22 H new ATOM 0 HE2 HIS A 7 -21.775 33.663 18.735 1.00 24.33 H new ATOM 103 N HIS A 8 -15.515 35.152 18.768 1.00 40.14 N ATOM 104 CA HIS A 8 -14.953 34.172 17.826 1.00 32.04 C ATOM 105 C HIS A 8 -14.911 32.765 18.454 1.00 22.55 C ATOM 106 O HIS A 8 -15.420 31.807 17.872 1.00 62.53 O ATOM 107 CB HIS A 8 -13.550 34.622 17.388 1.00 71.41 C ATOM 108 CG HIS A 8 -12.969 33.816 16.268 1.00 33.13 C ATOM 109 ND1 HIS A 8 -11.737 33.207 16.338 1.00 53.12 N ATOM 110 CD2 HIS A 8 -13.451 33.537 15.034 1.00 40.13 C ATOM 111 CE1 HIS A 8 -11.487 32.588 15.204 1.00 13.21 C ATOM 112 NE2 HIS A 8 -12.510 32.770 14.395 1.00 50.02 N ATOM 0 H HIS A 8 -14.840 35.525 19.435 1.00 40.14 H new ATOM 0 HA HIS A 8 -15.596 34.119 16.947 1.00 32.04 H new ATOM 0 HB2 HIS A 8 -13.595 35.668 17.083 1.00 71.41 H new ATOM 0 HB3 HIS A 8 -12.879 34.568 18.245 1.00 71.41 H new ATOM 0 HD2 HIS A 8 -14.399 33.858 14.628 1.00 40.13 H new ATOM 0 HE1 HIS A 8 -10.594 32.026 14.975 1.00 13.21 H new ATOM 0 HE2 HIS A 8 -12.590 32.401 13.448 1.00 50.02 H new ATOM 121 N HIS A 9 -14.267 32.663 19.620 1.00 21.10 N ATOM 122 CA HIS A 9 -14.291 31.454 20.472 1.00 51.24 C ATOM 123 C HIS A 9 -14.127 30.122 19.701 1.00 41.35 C ATOM 124 O HIS A 9 -15.111 29.507 19.294 1.00 41.23 O ATOM 125 CB HIS A 9 -15.594 31.436 21.288 1.00 42.24 C ATOM 126 CG HIS A 9 -15.748 30.240 22.182 1.00 14.54 C ATOM 127 ND1 HIS A 9 -14.972 30.032 23.300 1.00 34.24 N ATOM 128 CD2 HIS A 9 -16.596 29.186 22.117 1.00 53.34 C ATOM 129 CE1 HIS A 9 -15.332 28.907 23.882 1.00 30.12 C ATOM 130 NE2 HIS A 9 -16.314 28.375 23.187 1.00 75.54 N ATOM 0 H HIS A 9 -13.707 33.421 20.010 1.00 21.10 H new ATOM 0 HA HIS A 9 -13.420 31.520 21.124 1.00 51.24 H new ATOM 0 HB2 HIS A 9 -15.639 32.339 21.898 1.00 42.24 H new ATOM 0 HB3 HIS A 9 -16.439 31.472 20.601 1.00 42.24 H new ATOM 0 HD2 HIS A 9 -17.352 29.016 21.365 1.00 53.34 H new ATOM 0 HE1 HIS A 9 -14.895 28.492 24.778 1.00 30.12 H new ATOM 0 HE2 HIS A 9 -16.789 27.500 23.408 1.00 75.54 H new ATOM 139 N HIS A 10 -12.882 29.680 19.510 1.00 53.03 N ATOM 140 CA HIS A 10 -12.599 28.366 18.901 1.00 43.14 C ATOM 141 C HIS A 10 -11.244 27.801 19.365 1.00 4.11 C ATOM 142 O HIS A 10 -10.474 28.478 20.050 1.00 53.35 O ATOM 143 CB HIS A 10 -12.643 28.440 17.364 1.00 44.11 C ATOM 144 CG HIS A 10 -14.032 28.376 16.799 1.00 1.22 C ATOM 145 ND1 HIS A 10 -14.827 29.485 16.615 1.00 52.41 N ATOM 146 CD2 HIS A 10 -14.774 27.320 16.388 1.00 32.31 C ATOM 147 CE1 HIS A 10 -15.989 29.118 16.120 1.00 34.43 C ATOM 148 NE2 HIS A 10 -15.986 27.811 15.971 1.00 43.34 N ATOM 0 H HIS A 10 -12.049 30.209 19.767 1.00 53.03 H new ATOM 0 HA HIS A 10 -13.382 27.687 19.239 1.00 43.14 H new ATOM 0 HB2 HIS A 10 -12.170 29.367 17.040 1.00 44.11 H new ATOM 0 HB3 HIS A 10 -12.054 27.621 16.952 1.00 44.11 H new ATOM 0 HD1 HIS A 10 -14.556 30.445 16.830 1.00 52.41 H new ATOM 0 HD2 HIS A 10 -14.469 26.284 16.388 1.00 32.31 H new ATOM 0 HE1 HIS A 10 -16.808 29.779 15.877 1.00 34.43 H new ATOM 157 N SER A 11 -10.970 26.552 18.991 1.00 12.20 N ATOM 158 CA SER A 11 -9.733 25.861 19.387 1.00 65.23 C ATOM 159 C SER A 11 -9.309 24.825 18.331 1.00 71.12 C ATOM 160 O SER A 11 -9.915 24.733 17.263 1.00 62.33 O ATOM 161 CB SER A 11 -9.932 25.165 20.744 1.00 44.53 C ATOM 162 OG SER A 11 -11.009 24.238 20.691 1.00 13.22 O ATOM 0 H SER A 11 -11.591 25.990 18.409 1.00 12.20 H new ATOM 0 HA SER A 11 -8.943 26.607 19.470 1.00 65.23 H new ATOM 0 HB2 SER A 11 -9.016 24.647 21.028 1.00 44.53 H new ATOM 0 HB3 SER A 11 -10.128 25.911 21.514 1.00 44.53 H new ATOM 0 HG SER A 11 -11.114 23.808 21.565 1.00 13.22 H new ATOM 168 N SER A 12 -8.260 24.049 18.633 1.00 23.44 N ATOM 169 CA SER A 12 -7.754 23.011 17.710 1.00 71.22 C ATOM 170 C SER A 12 -7.171 21.808 18.476 1.00 12.31 C ATOM 171 O SER A 12 -7.009 21.855 19.697 1.00 25.34 O ATOM 172 CB SER A 12 -6.678 23.603 16.785 1.00 41.11 C ATOM 173 OG SER A 12 -6.183 22.637 15.865 1.00 4.21 O ATOM 0 H SER A 12 -7.741 24.116 19.509 1.00 23.44 H new ATOM 0 HA SER A 12 -8.597 22.660 17.115 1.00 71.22 H new ATOM 0 HB2 SER A 12 -7.095 24.447 16.236 1.00 41.11 H new ATOM 0 HB3 SER A 12 -5.854 23.989 17.386 1.00 41.11 H new ATOM 0 HG SER A 12 -5.503 23.049 15.293 1.00 4.21 H new ATOM 179 N GLY A 13 -6.861 20.730 17.753 1.00 52.22 N ATOM 180 CA GLY A 13 -6.278 19.533 18.368 1.00 65.13 C ATOM 181 C GLY A 13 -4.897 19.199 17.809 1.00 32.40 C ATOM 182 O GLY A 13 -4.618 19.461 16.639 1.00 20.31 O ATOM 0 H GLY A 13 -7.003 20.660 16.745 1.00 52.22 H new ATOM 0 HA2 GLY A 13 -6.204 19.682 19.445 1.00 65.13 H new ATOM 0 HA3 GLY A 13 -6.945 18.686 18.209 1.00 65.13 H new ATOM 186 N ARG A 14 -4.035 18.601 18.633 1.00 41.25 N ATOM 187 CA ARG A 14 -2.651 18.311 18.226 1.00 4.45 C ATOM 188 C ARG A 14 -2.462 16.827 17.830 1.00 45.15 C ATOM 189 O ARG A 14 -2.643 16.471 16.662 1.00 62.33 O ATOM 190 CB ARG A 14 -1.688 18.707 19.358 1.00 33.03 C ATOM 191 CG ARG A 14 -1.868 20.154 19.810 1.00 61.23 C ATOM 192 CD ARG A 14 -0.995 20.514 21.006 1.00 24.33 C ATOM 193 NE ARG A 14 -1.294 21.860 21.485 1.00 70.33 N ATOM 194 CZ ARG A 14 -0.823 22.380 22.585 1.00 53.45 C ATOM 195 NH1 ARG A 14 0.019 21.726 23.318 1.00 5.44 N ATOM 196 NH2 ARG A 14 -1.193 23.568 22.936 1.00 52.34 N ATOM 0 H ARG A 14 -4.265 18.308 19.582 1.00 41.25 H new ATOM 0 HA ARG A 14 -2.425 18.902 17.339 1.00 4.45 H new ATOM 0 HB2 ARG A 14 -1.843 18.044 20.209 1.00 33.03 H new ATOM 0 HB3 ARG A 14 -0.661 18.561 19.023 1.00 33.03 H new ATOM 0 HG2 ARG A 14 -1.632 20.821 18.980 1.00 61.23 H new ATOM 0 HG3 ARG A 14 -2.914 20.322 20.066 1.00 61.23 H new ATOM 0 HD2 ARG A 14 -1.156 19.794 21.808 1.00 24.33 H new ATOM 0 HD3 ARG A 14 0.056 20.449 20.726 1.00 24.33 H new ATOM 0 HE ARG A 14 -1.917 22.436 20.918 1.00 70.33 H new ATOM 0 HH11 ARG A 14 0.322 20.793 23.038 1.00 5.44 H new ATOM 0 HH12 ARG A 14 0.380 22.143 24.176 1.00 5.44 H new ATOM 0 HH21 ARG A 14 -1.848 24.091 22.355 1.00 52.34 H new ATOM 0 HH22 ARG A 14 -0.830 23.982 23.794 1.00 52.34 H new ATOM 210 N GLU A 15 -2.115 15.978 18.808 1.00 33.40 N ATOM 211 CA GLU A 15 -1.920 14.528 18.586 1.00 22.14 C ATOM 212 C GLU A 15 -0.727 14.220 17.650 1.00 3.10 C ATOM 213 O GLU A 15 -0.740 14.561 16.466 1.00 70.32 O ATOM 214 CB GLU A 15 -3.215 13.893 18.046 1.00 75.41 C ATOM 215 CG GLU A 15 -3.140 12.378 17.871 1.00 31.23 C ATOM 216 CD GLU A 15 -4.487 11.761 17.525 1.00 61.34 C ATOM 217 OE1 GLU A 15 -4.918 11.864 16.356 1.00 64.33 O ATOM 218 OE2 GLU A 15 -5.128 11.176 18.426 1.00 14.42 O ATOM 0 H GLU A 15 -1.961 16.270 19.773 1.00 33.40 H new ATOM 0 HA GLU A 15 -1.678 14.086 19.552 1.00 22.14 H new ATOM 0 HB2 GLU A 15 -4.034 14.129 18.726 1.00 75.41 H new ATOM 0 HB3 GLU A 15 -3.457 14.348 17.085 1.00 75.41 H new ATOM 0 HG2 GLU A 15 -2.424 12.142 17.084 1.00 31.23 H new ATOM 0 HG3 GLU A 15 -2.764 11.928 18.790 1.00 31.23 H new ATOM 225 N ASN A 16 0.304 13.564 18.197 1.00 72.01 N ATOM 226 CA ASN A 16 1.518 13.229 17.435 1.00 35.21 C ATOM 227 C ASN A 16 2.037 11.823 17.804 1.00 2.20 C ATOM 228 O ASN A 16 2.488 11.592 18.928 1.00 65.03 O ATOM 229 CB ASN A 16 2.597 14.289 17.701 1.00 52.12 C ATOM 230 CG ASN A 16 3.885 14.029 16.941 1.00 64.32 C ATOM 231 OD1 ASN A 16 4.051 14.456 15.804 1.00 65.12 O ATOM 232 ND2 ASN A 16 4.816 13.342 17.568 1.00 23.21 N ATOM 0 H ASN A 16 0.323 13.253 19.168 1.00 72.01 H new ATOM 0 HA ASN A 16 1.273 13.221 16.373 1.00 35.21 H new ATOM 0 HB2 ASN A 16 2.210 15.270 17.425 1.00 52.12 H new ATOM 0 HB3 ASN A 16 2.812 14.320 18.769 1.00 52.12 H new ATOM 0 HD21 ASN A 16 5.706 13.151 17.108 1.00 23.21 H new ATOM 0 HD22 ASN A 16 4.647 13.000 18.514 1.00 23.21 H new ATOM 239 N LEU A 17 1.972 10.886 16.854 1.00 32.53 N ATOM 240 CA LEU A 17 2.368 9.487 17.105 1.00 2.20 C ATOM 241 C LEU A 17 3.728 9.128 16.474 1.00 74.30 C ATOM 242 O LEU A 17 4.257 9.858 15.633 1.00 55.20 O ATOM 243 CB LEU A 17 1.295 8.526 16.586 1.00 41.10 C ATOM 244 CG LEU A 17 -0.018 8.510 17.391 1.00 41.02 C ATOM 245 CD1 LEU A 17 -0.844 9.769 17.140 1.00 62.22 C ATOM 246 CD2 LEU A 17 -0.817 7.255 17.076 1.00 34.20 C ATOM 0 H LEU A 17 1.650 11.065 15.903 1.00 32.53 H new ATOM 0 HA LEU A 17 2.470 9.384 18.185 1.00 2.20 H new ATOM 0 HB2 LEU A 17 1.066 8.787 15.553 1.00 41.10 H new ATOM 0 HB3 LEU A 17 1.708 7.517 16.576 1.00 41.10 H new ATOM 0 HG LEU A 17 0.236 8.498 18.451 1.00 41.02 H new ATOM 0 HD11 LEU A 17 -1.763 9.724 17.724 1.00 62.22 H new ATOM 0 HD12 LEU A 17 -0.269 10.646 17.436 1.00 62.22 H new ATOM 0 HD13 LEU A 17 -1.090 9.837 16.080 1.00 62.22 H new ATOM 0 HD21 LEU A 17 -1.742 7.258 17.653 1.00 34.20 H new ATOM 0 HD22 LEU A 17 -1.053 7.231 16.012 1.00 34.20 H new ATOM 0 HD23 LEU A 17 -0.230 6.375 17.337 1.00 34.20 H new ATOM 258 N TYR A 18 4.278 7.983 16.886 1.00 21.23 N ATOM 259 CA TYR A 18 5.546 7.471 16.345 1.00 71.44 C ATOM 260 C TYR A 18 5.438 5.983 15.978 1.00 24.02 C ATOM 261 O TYR A 18 4.478 5.303 16.352 1.00 71.43 O ATOM 262 CB TYR A 18 6.684 7.660 17.359 1.00 73.12 C ATOM 263 CG TYR A 18 7.025 9.107 17.659 1.00 11.50 C ATOM 264 CD1 TYR A 18 7.926 9.811 16.866 1.00 71.05 C ATOM 265 CD2 TYR A 18 6.458 9.767 18.746 1.00 65.43 C ATOM 266 CE1 TYR A 18 8.247 11.125 17.146 1.00 54.11 C ATOM 267 CE2 TYR A 18 6.778 11.078 19.031 1.00 2.55 C ATOM 268 CZ TYR A 18 7.671 11.751 18.229 1.00 34.31 C ATOM 269 OH TYR A 18 7.995 13.057 18.515 1.00 73.53 O ATOM 0 H TYR A 18 3.862 7.385 17.600 1.00 21.23 H new ATOM 0 HA TYR A 18 5.765 8.040 15.442 1.00 71.44 H new ATOM 0 HB2 TYR A 18 6.410 7.164 18.290 1.00 73.12 H new ATOM 0 HB3 TYR A 18 7.576 7.160 16.982 1.00 73.12 H new ATOM 0 HD1 TYR A 18 8.382 9.322 16.018 1.00 71.05 H new ATOM 0 HD2 TYR A 18 5.755 9.243 19.377 1.00 65.43 H new ATOM 0 HE1 TYR A 18 8.946 11.659 16.519 1.00 54.11 H new ATOM 0 HE2 TYR A 18 6.330 11.574 19.879 1.00 2.55 H new ATOM 0 HH TYR A 18 7.502 13.350 19.309 1.00 73.53 H new ATOM 279 N PHE A 19 6.429 5.486 15.246 1.00 71.13 N ATOM 280 CA PHE A 19 6.486 4.069 14.859 1.00 62.45 C ATOM 281 C PHE A 19 7.801 3.422 15.330 1.00 23.33 C ATOM 282 O PHE A 19 8.648 4.088 15.932 1.00 52.12 O ATOM 283 CB PHE A 19 6.328 3.931 13.341 1.00 42.44 C ATOM 284 CG PHE A 19 5.019 4.483 12.834 1.00 51.54 C ATOM 285 CD1 PHE A 19 3.843 3.761 12.983 1.00 50.41 C ATOM 286 CD2 PHE A 19 4.962 5.730 12.224 1.00 14.12 C ATOM 287 CE1 PHE A 19 2.638 4.271 12.537 1.00 12.45 C ATOM 288 CE2 PHE A 19 3.760 6.241 11.773 1.00 52.30 C ATOM 289 CZ PHE A 19 2.597 5.514 11.931 1.00 13.31 C ATOM 0 H PHE A 19 7.212 6.043 14.904 1.00 71.13 H new ATOM 0 HA PHE A 19 5.663 3.545 15.346 1.00 62.45 H new ATOM 0 HB2 PHE A 19 7.150 4.448 12.847 1.00 42.44 H new ATOM 0 HB3 PHE A 19 6.403 2.879 13.067 1.00 42.44 H new ATOM 0 HD1 PHE A 19 3.870 2.789 13.453 1.00 50.41 H new ATOM 0 HD2 PHE A 19 5.867 6.306 12.101 1.00 14.12 H new ATOM 0 HE1 PHE A 19 1.730 3.700 12.661 1.00 12.45 H new ATOM 0 HE2 PHE A 19 3.730 7.210 11.297 1.00 52.30 H new ATOM 0 HZ PHE A 19 1.657 5.915 11.582 1.00 13.31 H new ATOM 299 N GLN A 20 7.981 2.133 15.046 1.00 1.44 N ATOM 300 CA GLN A 20 9.156 1.391 15.535 1.00 74.33 C ATOM 301 C GLN A 20 9.783 0.510 14.436 1.00 20.03 C ATOM 302 O GLN A 20 9.080 -0.070 13.608 1.00 45.13 O ATOM 303 CB GLN A 20 8.749 0.510 16.730 1.00 33.33 C ATOM 304 CG GLN A 20 9.924 -0.061 17.520 1.00 62.45 C ATOM 305 CD GLN A 20 10.635 0.995 18.353 1.00 12.41 C ATOM 306 OE1 GLN A 20 10.276 1.241 19.500 1.00 1.44 O ATOM 307 NE2 GLN A 20 11.641 1.633 17.789 1.00 20.02 N ATOM 0 H GLN A 20 7.336 1.578 14.484 1.00 1.44 H new ATOM 0 HA GLN A 20 9.904 2.122 15.842 1.00 74.33 H new ATOM 0 HB2 GLN A 20 8.125 1.098 17.403 1.00 33.33 H new ATOM 0 HB3 GLN A 20 8.136 -0.315 16.366 1.00 33.33 H new ATOM 0 HG2 GLN A 20 9.565 -0.855 18.175 1.00 62.45 H new ATOM 0 HG3 GLN A 20 10.636 -0.514 16.830 1.00 62.45 H new ATOM 0 HE21 GLN A 20 11.917 1.407 16.833 1.00 20.02 H new ATOM 0 HE22 GLN A 20 12.144 2.353 18.308 1.00 20.02 H new ATOM 316 N GLY A 21 11.114 0.415 14.438 1.00 51.33 N ATOM 317 CA GLY A 21 11.815 -0.474 13.513 1.00 12.41 C ATOM 318 C GLY A 21 12.362 0.237 12.278 1.00 33.51 C ATOM 319 O GLY A 21 12.184 1.447 12.106 1.00 63.12 O ATOM 0 H GLY A 21 11.724 0.939 15.066 1.00 51.33 H new ATOM 0 HA2 GLY A 21 12.639 -0.956 14.039 1.00 12.41 H new ATOM 0 HA3 GLY A 21 11.134 -1.264 13.195 1.00 12.41 H new ATOM 323 N HIS A 22 13.035 -0.518 11.411 1.00 50.14 N ATOM 324 CA HIS A 22 13.586 0.034 10.172 1.00 23.43 C ATOM 325 C HIS A 22 12.499 0.164 9.094 1.00 20.20 C ATOM 326 O HIS A 22 12.397 -0.668 8.189 1.00 15.43 O ATOM 327 CB HIS A 22 14.752 -0.834 9.665 1.00 24.23 C ATOM 328 CG HIS A 22 15.381 -0.337 8.393 1.00 35.04 C ATOM 329 ND1 HIS A 22 16.012 0.881 8.292 1.00 32.23 N ATOM 330 CD2 HIS A 22 15.470 -0.901 7.162 1.00 54.22 C ATOM 331 CE1 HIS A 22 16.460 1.048 7.064 1.00 3.14 C ATOM 332 NE2 HIS A 22 16.146 -0.017 6.357 1.00 14.43 N ATOM 0 H HIS A 22 13.212 -1.514 11.543 1.00 50.14 H new ATOM 0 HA HIS A 22 13.967 1.032 10.387 1.00 23.43 H new ATOM 0 HB2 HIS A 22 15.517 -0.884 10.440 1.00 24.23 H new ATOM 0 HB3 HIS A 22 14.392 -1.850 9.506 1.00 24.23 H new ATOM 0 HD2 HIS A 22 15.082 -1.865 6.870 1.00 54.22 H new ATOM 0 HE1 HIS A 22 16.995 1.913 6.699 1.00 3.14 H new ATOM 0 HE2 HIS A 22 16.368 -0.162 5.372 1.00 14.43 H new ATOM 341 N MET A 23 11.658 1.187 9.229 1.00 31.22 N ATOM 342 CA MET A 23 10.642 1.501 8.223 1.00 50.33 C ATOM 343 C MET A 23 11.224 2.425 7.143 1.00 64.52 C ATOM 344 O MET A 23 12.104 3.243 7.422 1.00 24.40 O ATOM 345 CB MET A 23 9.438 2.159 8.900 1.00 51.22 C ATOM 346 CG MET A 23 9.735 3.528 9.501 1.00 4.03 C ATOM 347 SD MET A 23 8.452 4.062 10.648 1.00 3.32 S ATOM 348 CE MET A 23 6.985 3.556 9.752 1.00 30.54 C ATOM 0 H MET A 23 11.660 1.818 10.031 1.00 31.22 H new ATOM 0 HA MET A 23 10.319 0.578 7.741 1.00 50.33 H new ATOM 0 HB2 MET A 23 8.635 2.261 8.170 1.00 51.22 H new ATOM 0 HB3 MET A 23 9.072 1.500 9.687 1.00 51.22 H new ATOM 0 HG2 MET A 23 10.693 3.495 10.020 1.00 4.03 H new ATOM 0 HG3 MET A 23 9.832 4.261 8.700 1.00 4.03 H new ATOM 0 HE1 MET A 23 6.143 4.181 10.049 1.00 30.54 H new ATOM 0 HE2 MET A 23 7.157 3.665 8.681 1.00 30.54 H new ATOM 0 HE3 MET A 23 6.761 2.514 9.980 1.00 30.54 H new ATOM 358 N LEU A 24 10.737 2.304 5.915 1.00 45.51 N ATOM 359 CA LEU A 24 11.325 3.040 4.794 1.00 62.11 C ATOM 360 C LEU A 24 10.457 4.204 4.317 1.00 72.15 C ATOM 361 O LEU A 24 9.280 4.043 3.983 1.00 31.31 O ATOM 362 CB LEU A 24 11.632 2.080 3.648 1.00 12.02 C ATOM 363 CG LEU A 24 12.867 1.206 3.895 1.00 71.33 C ATOM 364 CD1 LEU A 24 12.889 0.009 2.955 1.00 20.32 C ATOM 365 CD2 LEU A 24 14.143 2.032 3.745 1.00 31.02 C ATOM 0 H LEU A 24 9.945 1.711 5.667 1.00 45.51 H new ATOM 0 HA LEU A 24 12.252 3.487 5.153 1.00 62.11 H new ATOM 0 HB2 LEU A 24 10.768 1.436 3.483 1.00 12.02 H new ATOM 0 HB3 LEU A 24 11.780 2.654 2.734 1.00 12.02 H new ATOM 0 HG LEU A 24 12.815 0.828 4.916 1.00 71.33 H new ATOM 0 HD11 LEU A 24 13.776 -0.593 3.153 1.00 20.32 H new ATOM 0 HD12 LEU A 24 11.997 -0.596 3.115 1.00 20.32 H new ATOM 0 HD13 LEU A 24 12.910 0.358 1.922 1.00 20.32 H new ATOM 0 HD21 LEU A 24 15.011 1.397 3.924 1.00 31.02 H new ATOM 0 HD22 LEU A 24 14.195 2.442 2.736 1.00 31.02 H new ATOM 0 HD23 LEU A 24 14.136 2.848 4.468 1.00 31.02 H new ATOM 377 N GLU A 25 11.069 5.381 4.306 1.00 63.01 N ATOM 378 CA GLU A 25 10.440 6.596 3.809 1.00 70.52 C ATOM 379 C GLU A 25 10.323 6.552 2.276 1.00 23.32 C ATOM 380 O GLU A 25 11.306 6.759 1.562 1.00 3.21 O ATOM 381 CB GLU A 25 11.270 7.813 4.247 1.00 31.24 C ATOM 382 CG GLU A 25 10.431 8.989 4.711 1.00 71.43 C ATOM 383 CD GLU A 25 11.269 10.216 5.038 1.00 30.21 C ATOM 384 OE1 GLU A 25 11.539 11.017 4.115 1.00 42.33 O ATOM 385 OE2 GLU A 25 11.673 10.380 6.209 1.00 14.31 O ATOM 0 H GLU A 25 12.021 5.520 4.644 1.00 63.01 H new ATOM 0 HA GLU A 25 9.435 6.676 4.224 1.00 70.52 H new ATOM 0 HB2 GLU A 25 11.938 7.514 5.054 1.00 31.24 H new ATOM 0 HB3 GLU A 25 11.898 8.132 3.415 1.00 31.24 H new ATOM 0 HG2 GLU A 25 9.709 9.244 3.935 1.00 71.43 H new ATOM 0 HG3 GLU A 25 9.861 8.698 5.593 1.00 71.43 H new ATOM 392 N VAL A 26 9.125 6.267 1.781 1.00 35.21 N ATOM 393 CA VAL A 26 8.895 6.092 0.340 1.00 31.33 C ATOM 394 C VAL A 26 7.886 7.110 -0.206 1.00 72.14 C ATOM 395 O VAL A 26 7.191 7.784 0.554 1.00 75.21 O ATOM 396 CB VAL A 26 8.373 4.664 0.030 1.00 43.41 C ATOM 397 CG1 VAL A 26 9.380 3.603 0.474 1.00 72.40 C ATOM 398 CG2 VAL A 26 7.013 4.435 0.690 1.00 32.35 C ATOM 0 H VAL A 26 8.289 6.150 2.354 1.00 35.21 H new ATOM 0 HA VAL A 26 9.857 6.250 -0.148 1.00 31.33 H new ATOM 0 HB VAL A 26 8.249 4.575 -1.049 1.00 43.41 H new ATOM 0 HG11 VAL A 26 8.989 2.612 0.245 1.00 72.40 H new ATOM 0 HG12 VAL A 26 10.322 3.752 -0.053 1.00 72.40 H new ATOM 0 HG13 VAL A 26 9.548 3.688 1.548 1.00 72.40 H new ATOM 0 HG21 VAL A 26 6.663 3.428 0.462 1.00 32.35 H new ATOM 0 HG22 VAL A 26 7.109 4.550 1.770 1.00 32.35 H new ATOM 0 HG23 VAL A 26 6.297 5.163 0.310 1.00 32.35 H new ATOM 408 N GLU A 27 7.816 7.231 -1.527 1.00 72.33 N ATOM 409 CA GLU A 27 6.779 8.042 -2.170 1.00 25.42 C ATOM 410 C GLU A 27 5.639 7.146 -2.686 1.00 5.42 C ATOM 411 O GLU A 27 5.844 6.308 -3.563 1.00 11.11 O ATOM 412 CB GLU A 27 7.367 8.875 -3.316 1.00 50.54 C ATOM 413 CG GLU A 27 6.361 9.845 -3.920 1.00 54.42 C ATOM 414 CD GLU A 27 6.952 10.732 -5.004 1.00 15.22 C ATOM 415 OE1 GLU A 27 7.895 11.489 -4.712 1.00 34.23 O ATOM 416 OE2 GLU A 27 6.465 10.693 -6.149 1.00 42.03 O ATOM 0 H GLU A 27 8.462 6.780 -2.176 1.00 72.33 H new ATOM 0 HA GLU A 27 6.374 8.727 -1.426 1.00 25.42 H new ATOM 0 HB2 GLU A 27 8.227 9.434 -2.948 1.00 50.54 H new ATOM 0 HB3 GLU A 27 7.732 8.206 -4.095 1.00 50.54 H new ATOM 0 HG2 GLU A 27 5.528 9.279 -4.338 1.00 54.42 H new ATOM 0 HG3 GLU A 27 5.954 10.474 -3.128 1.00 54.42 H new ATOM 423 N VAL A 28 4.450 7.329 -2.120 1.00 32.11 N ATOM 424 CA VAL A 28 3.282 6.496 -2.438 1.00 74.32 C ATOM 425 C VAL A 28 2.465 7.082 -3.599 1.00 32.24 C ATOM 426 O VAL A 28 1.818 8.123 -3.457 1.00 21.15 O ATOM 427 CB VAL A 28 2.363 6.357 -1.199 1.00 15.24 C ATOM 428 CG1 VAL A 28 1.260 5.331 -1.452 1.00 23.33 C ATOM 429 CG2 VAL A 28 3.180 6.001 0.042 1.00 41.25 C ATOM 0 H VAL A 28 4.263 8.056 -1.429 1.00 32.11 H new ATOM 0 HA VAL A 28 3.659 5.517 -2.735 1.00 74.32 H new ATOM 0 HB VAL A 28 1.884 7.319 -1.018 1.00 15.24 H new ATOM 0 HG11 VAL A 28 0.628 5.251 -0.568 1.00 23.33 H new ATOM 0 HG12 VAL A 28 0.656 5.648 -2.302 1.00 23.33 H new ATOM 0 HG13 VAL A 28 1.708 4.361 -1.667 1.00 23.33 H new ATOM 0 HG21 VAL A 28 2.515 5.908 0.901 1.00 41.25 H new ATOM 0 HG22 VAL A 28 3.696 5.055 -0.121 1.00 41.25 H new ATOM 0 HG23 VAL A 28 3.912 6.786 0.233 1.00 41.25 H new ATOM 439 N ILE A 29 2.483 6.408 -4.743 1.00 41.44 N ATOM 440 CA ILE A 29 1.778 6.898 -5.933 1.00 30.32 C ATOM 441 C ILE A 29 0.433 6.188 -6.126 1.00 72.22 C ATOM 442 O ILE A 29 0.258 5.047 -5.708 1.00 13.30 O ATOM 443 CB ILE A 29 2.622 6.702 -7.221 1.00 24.02 C ATOM 444 CG1 ILE A 29 4.123 6.714 -6.896 1.00 64.42 C ATOM 445 CG2 ILE A 29 2.286 7.798 -8.232 1.00 22.21 C ATOM 446 CD1 ILE A 29 5.011 6.418 -8.086 1.00 42.42 C ATOM 0 H ILE A 29 2.974 5.524 -4.877 1.00 41.44 H new ATOM 0 HA ILE A 29 1.609 7.962 -5.766 1.00 30.32 H new ATOM 0 HB ILE A 29 2.378 5.732 -7.654 1.00 24.02 H new ATOM 0 HG12 ILE A 29 4.389 7.690 -6.490 1.00 64.42 H new ATOM 0 HG13 ILE A 29 4.322 5.980 -6.115 1.00 64.42 H new ATOM 0 HG21 ILE A 29 2.881 7.656 -9.134 1.00 22.21 H new ATOM 0 HG22 ILE A 29 1.227 7.748 -8.484 1.00 22.21 H new ATOM 0 HG23 ILE A 29 2.510 8.773 -7.799 1.00 22.21 H new ATOM 0 HD11 ILE A 29 6.056 6.445 -7.776 1.00 42.42 H new ATOM 0 HD12 ILE A 29 4.774 5.429 -8.480 1.00 42.42 H new ATOM 0 HD13 ILE A 29 4.843 7.166 -8.860 1.00 42.42 H new ATOM 458 N SER A 30 -0.508 6.867 -6.778 1.00 4.14 N ATOM 459 CA SER A 30 -1.808 6.268 -7.115 1.00 53.32 C ATOM 460 C SER A 30 -2.024 6.267 -8.635 1.00 73.24 C ATOM 461 O SER A 30 -2.313 7.303 -9.233 1.00 61.23 O ATOM 462 CB SER A 30 -2.954 7.020 -6.428 1.00 72.40 C ATOM 463 OG SER A 30 -4.191 6.352 -6.615 1.00 4.32 O ATOM 0 H SER A 30 -0.399 7.833 -7.086 1.00 4.14 H new ATOM 0 HA SER A 30 -1.803 5.239 -6.756 1.00 53.32 H new ATOM 0 HB2 SER A 30 -2.745 7.112 -5.362 1.00 72.40 H new ATOM 0 HB3 SER A 30 -3.020 8.032 -6.828 1.00 72.40 H new ATOM 0 HG SER A 30 -4.509 6.006 -5.755 1.00 4.32 H new ATOM 469 N GLY A 31 -1.859 5.101 -9.257 1.00 44.15 N ATOM 470 CA GLY A 31 -1.986 4.996 -10.710 1.00 74.25 C ATOM 471 C GLY A 31 -3.349 4.484 -11.157 1.00 25.01 C ATOM 472 O GLY A 31 -3.817 3.447 -10.683 1.00 22.21 O ATOM 0 H GLY A 31 -1.639 4.224 -8.784 1.00 44.15 H new ATOM 0 HA2 GLY A 31 -1.809 5.975 -11.156 1.00 74.25 H new ATOM 0 HA3 GLY A 31 -1.212 4.328 -11.089 1.00 74.25 H new ATOM 476 N ARG A 32 -3.986 5.201 -12.080 1.00 1.55 N ATOM 477 CA ARG A 32 -5.317 4.826 -12.569 1.00 14.22 C ATOM 478 C ARG A 32 -5.249 3.582 -13.474 1.00 24.05 C ATOM 479 O ARG A 32 -5.010 3.677 -14.677 1.00 71.41 O ATOM 480 CB ARG A 32 -5.959 6.015 -13.301 1.00 33.33 C ATOM 481 CG ARG A 32 -6.163 7.228 -12.392 1.00 74.01 C ATOM 482 CD ARG A 32 -6.720 8.437 -13.134 1.00 75.14 C ATOM 483 NE ARG A 32 -6.843 9.591 -12.240 1.00 65.22 N ATOM 484 CZ ARG A 32 -6.654 10.831 -12.599 1.00 63.03 C ATOM 485 NH1 ARG A 32 -6.412 11.134 -13.833 1.00 23.43 N ATOM 486 NH2 ARG A 32 -6.728 11.775 -11.716 1.00 22.33 N ATOM 0 H ARG A 32 -3.605 6.046 -12.506 1.00 1.55 H new ATOM 0 HA ARG A 32 -5.942 4.567 -11.714 1.00 14.22 H new ATOM 0 HB2 ARG A 32 -5.330 6.300 -14.144 1.00 33.33 H new ATOM 0 HB3 ARG A 32 -6.921 5.707 -13.711 1.00 33.33 H new ATOM 0 HG2 ARG A 32 -6.843 6.960 -11.583 1.00 74.01 H new ATOM 0 HG3 ARG A 32 -5.211 7.496 -11.933 1.00 74.01 H new ATOM 0 HD2 ARG A 32 -6.067 8.688 -13.970 1.00 75.14 H new ATOM 0 HD3 ARG A 32 -7.696 8.192 -13.554 1.00 75.14 H new ATOM 0 HE ARG A 32 -7.094 9.412 -11.268 1.00 65.22 H new ATOM 0 HH11 ARG A 32 -6.367 10.399 -14.539 1.00 23.43 H new ATOM 0 HH12 ARG A 32 -6.266 12.108 -14.100 1.00 23.43 H new ATOM 0 HH21 ARG A 32 -6.934 11.548 -10.743 1.00 22.33 H new ATOM 0 HH22 ARG A 32 -6.581 12.745 -11.993 1.00 22.33 H new ATOM 500 N THR A 33 -5.420 2.411 -12.863 1.00 31.12 N ATOM 501 CA THR A 33 -5.356 1.129 -13.577 1.00 44.33 C ATOM 502 C THR A 33 -6.740 0.666 -14.058 1.00 11.23 C ATOM 503 O THR A 33 -6.912 0.303 -15.223 1.00 53.54 O ATOM 504 CB THR A 33 -4.741 0.030 -12.679 1.00 43.31 C ATOM 505 OG1 THR A 33 -5.537 -0.137 -11.497 1.00 70.32 O ATOM 506 CG2 THR A 33 -3.311 0.386 -12.277 1.00 41.04 C ATOM 0 H THR A 33 -5.606 2.320 -11.864 1.00 31.12 H new ATOM 0 HA THR A 33 -4.723 1.290 -14.450 1.00 44.33 H new ATOM 0 HB THR A 33 -4.723 -0.899 -13.248 1.00 43.31 H new ATOM 0 HG1 THR A 33 -5.143 -0.835 -10.933 1.00 70.32 H new ATOM 0 HG21 THR A 33 -2.903 -0.404 -11.646 1.00 41.04 H new ATOM 0 HG22 THR A 33 -2.697 0.490 -13.171 1.00 41.04 H new ATOM 0 HG23 THR A 33 -3.311 1.327 -11.726 1.00 41.04 H new ATOM 514 N LEU A 34 -7.722 0.673 -13.150 1.00 61.34 N ATOM 515 CA LEU A 34 -9.102 0.286 -13.486 1.00 33.32 C ATOM 516 C LEU A 34 -9.695 1.191 -14.577 1.00 42.12 C ATOM 517 O LEU A 34 -10.183 2.289 -14.295 1.00 12.13 O ATOM 518 CB LEU A 34 -10.011 0.315 -12.240 1.00 34.12 C ATOM 519 CG LEU A 34 -9.806 -0.826 -11.228 1.00 54.02 C ATOM 520 CD1 LEU A 34 -9.906 -2.186 -11.913 1.00 22.20 C ATOM 521 CD2 LEU A 34 -8.479 -0.681 -10.488 1.00 42.44 C ATOM 0 H LEU A 34 -7.589 0.942 -12.175 1.00 61.34 H new ATOM 0 HA LEU A 34 -9.058 -0.734 -13.868 1.00 33.32 H new ATOM 0 HB2 LEU A 34 -9.857 1.263 -11.725 1.00 34.12 H new ATOM 0 HB3 LEU A 34 -11.049 0.297 -12.572 1.00 34.12 H new ATOM 0 HG LEU A 34 -10.604 -0.761 -10.488 1.00 54.02 H new ATOM 0 HD11 LEU A 34 -9.758 -2.976 -11.177 1.00 22.20 H new ATOM 0 HD12 LEU A 34 -10.891 -2.293 -12.367 1.00 22.20 H new ATOM 0 HD13 LEU A 34 -9.141 -2.261 -12.685 1.00 22.20 H new ATOM 0 HD21 LEU A 34 -8.365 -1.503 -9.781 1.00 42.44 H new ATOM 0 HD22 LEU A 34 -7.658 -0.703 -11.205 1.00 42.44 H new ATOM 0 HD23 LEU A 34 -8.465 0.266 -9.949 1.00 42.44 H new ATOM 533 N ASN A 35 -9.663 0.712 -15.822 1.00 74.10 N ATOM 534 CA ASN A 35 -10.191 1.463 -16.969 1.00 2.10 C ATOM 535 C ASN A 35 -11.708 1.714 -16.842 1.00 24.44 C ATOM 536 O ASN A 35 -12.284 2.495 -17.601 1.00 11.52 O ATOM 537 CB ASN A 35 -9.885 0.714 -18.276 1.00 63.21 C ATOM 538 CG ASN A 35 -10.249 1.520 -19.512 1.00 1.51 C ATOM 539 OD1 ASN A 35 -10.194 2.746 -19.510 1.00 41.50 O ATOM 540 ND2 ASN A 35 -10.625 0.844 -20.578 1.00 64.41 N ATOM 0 H ASN A 35 -9.274 -0.199 -16.065 1.00 74.10 H new ATOM 0 HA ASN A 35 -9.697 2.435 -16.984 1.00 2.10 H new ATOM 0 HB2 ASN A 35 -8.824 0.466 -18.308 1.00 63.21 H new ATOM 0 HB3 ASN A 35 -10.433 -0.228 -18.287 1.00 63.21 H new ATOM 0 HD21 ASN A 35 -10.880 1.339 -21.432 1.00 64.41 H new ATOM 0 HD22 ASN A 35 -10.661 -0.175 -20.549 1.00 64.41 H new ATOM 547 N GLN A 36 -12.348 1.040 -15.885 1.00 35.13 N ATOM 548 CA GLN A 36 -13.774 1.252 -15.597 1.00 12.42 C ATOM 549 C GLN A 36 -14.110 2.740 -15.380 1.00 3.22 C ATOM 550 O GLN A 36 -15.208 3.188 -15.721 1.00 3.23 O ATOM 551 CB GLN A 36 -14.194 0.453 -14.352 1.00 73.15 C ATOM 552 CG GLN A 36 -14.177 -1.063 -14.536 1.00 24.11 C ATOM 553 CD GLN A 36 -15.175 -1.546 -15.576 1.00 1.32 C ATOM 554 OE1 GLN A 36 -16.210 -0.925 -15.799 1.00 43.25 O ATOM 555 NE2 GLN A 36 -14.881 -2.661 -16.209 1.00 24.14 N ATOM 0 H GLN A 36 -11.902 0.339 -15.292 1.00 35.13 H new ATOM 0 HA GLN A 36 -14.327 0.903 -16.469 1.00 12.42 H new ATOM 0 HB2 GLN A 36 -13.530 0.714 -13.528 1.00 73.15 H new ATOM 0 HB3 GLN A 36 -15.199 0.760 -14.061 1.00 73.15 H new ATOM 0 HG2 GLN A 36 -13.175 -1.377 -14.829 1.00 24.11 H new ATOM 0 HG3 GLN A 36 -14.395 -1.542 -13.581 1.00 24.11 H new ATOM 0 HE21 GLN A 36 -14.012 -3.152 -16.000 1.00 24.14 H new ATOM 0 HE22 GLN A 36 -15.522 -3.034 -16.909 1.00 24.14 H new ATOM 564 N GLY A 37 -13.161 3.496 -14.819 1.00 2.04 N ATOM 565 CA GLY A 37 -13.408 4.900 -14.498 1.00 72.23 C ATOM 566 C GLY A 37 -14.565 5.084 -13.518 1.00 11.12 C ATOM 567 O GLY A 37 -15.623 5.596 -13.880 1.00 41.11 O ATOM 0 H GLY A 37 -12.227 3.162 -14.581 1.00 2.04 H new ATOM 0 HA2 GLY A 37 -12.504 5.336 -14.073 1.00 72.23 H new ATOM 0 HA3 GLY A 37 -13.624 5.446 -15.416 1.00 72.23 H new ATOM 571 N ALA A 38 -14.358 4.669 -12.269 1.00 20.23 N ATOM 572 CA ALA A 38 -15.429 4.673 -11.262 1.00 21.31 C ATOM 573 C ALA A 38 -14.874 4.470 -9.849 1.00 34.42 C ATOM 574 O ALA A 38 -13.717 4.084 -9.677 1.00 3.52 O ATOM 575 CB ALA A 38 -16.437 3.569 -11.572 1.00 71.12 C ATOM 0 H ALA A 38 -13.461 4.325 -11.926 1.00 20.23 H new ATOM 0 HA ALA A 38 -15.918 5.647 -11.301 1.00 21.31 H new ATOM 0 HB1 ALA A 38 -17.228 3.577 -10.822 1.00 71.12 H new ATOM 0 HB2 ALA A 38 -16.870 3.738 -12.558 1.00 71.12 H new ATOM 0 HB3 ALA A 38 -15.934 2.602 -11.558 1.00 71.12 H new ATOM 581 N THR A 39 -15.720 4.686 -8.843 1.00 64.53 N ATOM 582 CA THR A 39 -15.343 4.446 -7.443 1.00 1.33 C ATOM 583 C THR A 39 -15.347 2.943 -7.134 1.00 23.35 C ATOM 584 O THR A 39 -15.506 2.110 -8.035 1.00 2.53 O ATOM 585 CB THR A 39 -16.317 5.143 -6.460 1.00 41.14 C ATOM 586 OG1 THR A 39 -17.571 4.441 -6.424 1.00 64.11 O ATOM 587 CG2 THR A 39 -16.549 6.597 -6.857 1.00 2.43 C ATOM 0 H THR A 39 -16.673 5.027 -8.967 1.00 64.53 H new ATOM 0 HA THR A 39 -14.343 4.859 -7.311 1.00 1.33 H new ATOM 0 HB THR A 39 -15.866 5.126 -5.468 1.00 41.14 H new ATOM 0 HG1 THR A 39 -18.179 4.889 -5.799 1.00 64.11 H new ATOM 0 HG21 THR A 39 -17.236 7.062 -6.150 1.00 2.43 H new ATOM 0 HG22 THR A 39 -15.600 7.133 -6.846 1.00 2.43 H new ATOM 0 HG23 THR A 39 -16.977 6.637 -7.859 1.00 2.43 H new ATOM 595 N VAL A 40 -15.158 2.591 -5.869 1.00 20.51 N ATOM 596 CA VAL A 40 -15.247 1.195 -5.449 1.00 32.41 C ATOM 597 C VAL A 40 -16.704 0.697 -5.462 1.00 44.54 C ATOM 598 O VAL A 40 -16.965 -0.477 -5.722 1.00 34.24 O ATOM 599 CB VAL A 40 -14.630 0.983 -4.042 1.00 71.21 C ATOM 600 CG1 VAL A 40 -15.415 1.735 -2.974 1.00 23.21 C ATOM 601 CG2 VAL A 40 -14.542 -0.503 -3.707 1.00 71.33 C ATOM 0 H VAL A 40 -14.943 3.247 -5.118 1.00 20.51 H new ATOM 0 HA VAL A 40 -14.673 0.611 -6.169 1.00 32.41 H new ATOM 0 HB VAL A 40 -13.619 1.389 -4.058 1.00 71.21 H new ATOM 0 HG11 VAL A 40 -14.957 1.566 -1.999 1.00 23.21 H new ATOM 0 HG12 VAL A 40 -15.406 2.801 -3.199 1.00 23.21 H new ATOM 0 HG13 VAL A 40 -16.444 1.376 -2.959 1.00 23.21 H new ATOM 0 HG21 VAL A 40 -14.106 -0.627 -2.716 1.00 71.33 H new ATOM 0 HG22 VAL A 40 -15.541 -0.939 -3.722 1.00 71.33 H new ATOM 0 HG23 VAL A 40 -13.916 -1.006 -4.444 1.00 71.33 H new ATOM 611 N GLU A 41 -17.645 1.615 -5.230 1.00 22.23 N ATOM 612 CA GLU A 41 -19.066 1.267 -5.109 1.00 62.24 C ATOM 613 C GLU A 41 -19.635 0.692 -6.417 1.00 44.01 C ATOM 614 O GLU A 41 -20.450 -0.230 -6.395 1.00 74.15 O ATOM 615 CB GLU A 41 -19.881 2.496 -4.679 1.00 64.12 C ATOM 616 CG GLU A 41 -19.403 3.121 -3.373 1.00 52.12 C ATOM 617 CD GLU A 41 -20.295 4.258 -2.907 1.00 11.01 C ATOM 618 OE1 GLU A 41 -20.112 5.405 -3.373 1.00 14.11 O ATOM 619 OE2 GLU A 41 -21.199 4.010 -2.080 1.00 75.41 O ATOM 0 H GLU A 41 -17.449 2.610 -5.121 1.00 22.23 H new ATOM 0 HA GLU A 41 -19.145 0.492 -4.346 1.00 62.24 H new ATOM 0 HB2 GLU A 41 -19.835 3.246 -5.469 1.00 64.12 H new ATOM 0 HB3 GLU A 41 -20.927 2.208 -4.573 1.00 64.12 H new ATOM 0 HG2 GLU A 41 -19.366 2.354 -2.600 1.00 52.12 H new ATOM 0 HG3 GLU A 41 -18.386 3.492 -3.503 1.00 52.12 H new ATOM 626 N GLU A 42 -19.208 1.240 -7.555 1.00 43.44 N ATOM 627 CA GLU A 42 -19.663 0.751 -8.864 1.00 22.32 C ATOM 628 C GLU A 42 -19.192 -0.689 -9.155 1.00 71.11 C ATOM 629 O GLU A 42 -19.889 -1.452 -9.828 1.00 63.22 O ATOM 630 CB GLU A 42 -19.194 1.680 -9.998 1.00 4.20 C ATOM 631 CG GLU A 42 -19.919 3.026 -10.063 1.00 31.23 C ATOM 632 CD GLU A 42 -19.532 3.984 -8.948 1.00 1.41 C ATOM 633 OE1 GLU A 42 -18.528 4.709 -9.104 1.00 3.41 O ATOM 634 OE2 GLU A 42 -20.231 4.028 -7.918 1.00 52.55 O ATOM 0 H GLU A 42 -18.551 2.019 -7.601 1.00 43.44 H new ATOM 0 HA GLU A 42 -20.752 0.748 -8.823 1.00 22.32 H new ATOM 0 HB2 GLU A 42 -18.126 1.863 -9.881 1.00 4.20 H new ATOM 0 HB3 GLU A 42 -19.327 1.165 -10.949 1.00 4.20 H new ATOM 0 HG2 GLU A 42 -19.708 3.496 -11.023 1.00 31.23 H new ATOM 0 HG3 GLU A 42 -20.994 2.852 -10.023 1.00 31.23 H new ATOM 641 N LYS A 43 -18.015 -1.067 -8.649 1.00 30.52 N ATOM 642 CA LYS A 43 -17.442 -2.391 -8.955 1.00 34.23 C ATOM 643 C LYS A 43 -17.173 -3.215 -7.683 1.00 2.43 C ATOM 644 O LYS A 43 -16.079 -3.747 -7.495 1.00 12.22 O ATOM 645 CB LYS A 43 -16.146 -2.248 -9.779 1.00 43.10 C ATOM 646 CG LYS A 43 -16.276 -1.350 -11.015 1.00 42.20 C ATOM 647 CD LYS A 43 -15.808 0.081 -10.740 1.00 53.11 C ATOM 648 CE LYS A 43 -14.288 0.163 -10.614 1.00 11.23 C ATOM 649 NZ LYS A 43 -13.836 1.455 -10.029 1.00 5.10 N ATOM 0 H LYS A 43 -17.443 -0.488 -8.034 1.00 30.52 H new ATOM 0 HA LYS A 43 -18.183 -2.929 -9.546 1.00 34.23 H new ATOM 0 HB2 LYS A 43 -15.363 -1.848 -9.135 1.00 43.10 H new ATOM 0 HB3 LYS A 43 -15.821 -3.239 -10.097 1.00 43.10 H new ATOM 0 HG2 LYS A 43 -15.690 -1.772 -11.832 1.00 42.20 H new ATOM 0 HG3 LYS A 43 -17.315 -1.334 -11.343 1.00 42.20 H new ATOM 0 HD2 LYS A 43 -16.142 0.735 -11.546 1.00 53.11 H new ATOM 0 HD3 LYS A 43 -16.270 0.445 -9.822 1.00 53.11 H new ATOM 0 HE2 LYS A 43 -13.933 -0.658 -9.992 1.00 11.23 H new ATOM 0 HE3 LYS A 43 -13.837 0.035 -11.598 1.00 11.23 H new ATOM 0 HZ1 LYS A 43 -12.916 1.322 -9.563 1.00 5.10 H new ATOM 0 HZ2 LYS A 43 -13.742 2.164 -10.784 1.00 5.10 H new ATOM 0 HZ3 LYS A 43 -14.534 1.783 -9.331 1.00 5.10 H new ATOM 663 N LEU A 44 -18.183 -3.342 -6.824 1.00 34.54 N ATOM 664 CA LEU A 44 -18.060 -4.149 -5.604 1.00 45.54 C ATOM 665 C LEU A 44 -18.010 -5.653 -5.928 1.00 4.45 C ATOM 666 O LEU A 44 -19.038 -6.335 -5.964 1.00 30.01 O ATOM 667 CB LEU A 44 -19.214 -3.850 -4.635 1.00 21.43 C ATOM 668 CG LEU A 44 -19.195 -2.448 -3.999 1.00 23.31 C ATOM 669 CD1 LEU A 44 -20.433 -2.227 -3.135 1.00 12.23 C ATOM 670 CD2 LEU A 44 -17.922 -2.245 -3.180 1.00 22.33 C ATOM 0 H LEU A 44 -19.094 -2.899 -6.946 1.00 34.54 H new ATOM 0 HA LEU A 44 -17.121 -3.877 -5.123 1.00 45.54 H new ATOM 0 HB2 LEU A 44 -20.156 -3.976 -5.169 1.00 21.43 H new ATOM 0 HB3 LEU A 44 -19.198 -4.593 -3.837 1.00 21.43 H new ATOM 0 HG LEU A 44 -19.206 -1.711 -4.802 1.00 23.31 H new ATOM 0 HD11 LEU A 44 -20.397 -1.230 -2.696 1.00 12.23 H new ATOM 0 HD12 LEU A 44 -21.328 -2.321 -3.750 1.00 12.23 H new ATOM 0 HD13 LEU A 44 -20.460 -2.972 -2.340 1.00 12.23 H new ATOM 0 HD21 LEU A 44 -17.928 -1.248 -2.739 1.00 22.33 H new ATOM 0 HD22 LEU A 44 -17.876 -2.992 -2.388 1.00 22.33 H new ATOM 0 HD23 LEU A 44 -17.052 -2.350 -3.828 1.00 22.33 H new ATOM 682 N THR A 45 -16.804 -6.145 -6.204 1.00 2.22 N ATOM 683 CA THR A 45 -16.573 -7.573 -6.469 1.00 72.41 C ATOM 684 C THR A 45 -15.111 -7.961 -6.200 1.00 73.25 C ATOM 685 O THR A 45 -14.268 -7.097 -5.941 1.00 42.44 O ATOM 686 CB THR A 45 -16.931 -7.952 -7.926 1.00 32.33 C ATOM 687 OG1 THR A 45 -16.651 -9.342 -8.153 1.00 71.45 O ATOM 688 CG2 THR A 45 -16.151 -7.102 -8.927 1.00 64.24 C ATOM 0 H THR A 45 -15.961 -5.573 -6.251 1.00 2.22 H new ATOM 0 HA THR A 45 -17.225 -8.122 -5.790 1.00 72.41 H new ATOM 0 HB THR A 45 -17.995 -7.763 -8.071 1.00 32.33 H new ATOM 0 HG1 THR A 45 -16.133 -9.441 -8.979 1.00 71.45 H new ATOM 0 HG21 THR A 45 -16.424 -7.392 -9.942 1.00 64.24 H new ATOM 0 HG22 THR A 45 -16.389 -6.049 -8.774 1.00 64.24 H new ATOM 0 HG23 THR A 45 -15.082 -7.257 -8.781 1.00 64.24 H new ATOM 696 N GLU A 46 -14.805 -9.258 -6.284 1.00 54.40 N ATOM 697 CA GLU A 46 -13.442 -9.749 -6.022 1.00 64.34 C ATOM 698 C GLU A 46 -12.442 -9.215 -7.061 1.00 15.50 C ATOM 699 O GLU A 46 -11.261 -9.021 -6.760 1.00 20.31 O ATOM 700 CB GLU A 46 -13.410 -11.284 -6.000 1.00 75.10 C ATOM 701 CG GLU A 46 -12.029 -11.854 -5.686 1.00 72.24 C ATOM 702 CD GLU A 46 -12.008 -13.372 -5.628 1.00 4.24 C ATOM 703 OE1 GLU A 46 -11.938 -14.011 -6.699 1.00 25.10 O ATOM 704 OE2 GLU A 46 -12.039 -13.932 -4.512 1.00 33.33 O ATOM 0 H GLU A 46 -15.475 -9.986 -6.530 1.00 54.40 H new ATOM 0 HA GLU A 46 -13.145 -9.377 -5.042 1.00 64.34 H new ATOM 0 HB2 GLU A 46 -14.122 -11.645 -5.258 1.00 75.10 H new ATOM 0 HB3 GLU A 46 -13.740 -11.661 -6.968 1.00 75.10 H new ATOM 0 HG2 GLU A 46 -11.322 -11.516 -6.444 1.00 72.24 H new ATOM 0 HG3 GLU A 46 -11.687 -11.455 -4.731 1.00 72.24 H new ATOM 711 N GLU A 47 -12.921 -8.971 -8.280 1.00 44.22 N ATOM 712 CA GLU A 47 -12.088 -8.380 -9.338 1.00 70.31 C ATOM 713 C GLU A 47 -11.534 -7.010 -8.911 1.00 55.44 C ATOM 714 O GLU A 47 -10.498 -6.568 -9.399 1.00 63.01 O ATOM 715 CB GLU A 47 -12.883 -8.241 -10.645 1.00 73.23 C ATOM 716 CG GLU A 47 -13.168 -9.571 -11.344 1.00 3.32 C ATOM 717 CD GLU A 47 -14.052 -10.503 -10.527 1.00 71.34 C ATOM 718 OE1 GLU A 47 -15.263 -10.227 -10.413 1.00 2.14 O ATOM 719 OE2 GLU A 47 -13.541 -11.511 -9.996 1.00 52.33 O ATOM 0 H GLU A 47 -13.880 -9.172 -8.564 1.00 44.22 H new ATOM 0 HA GLU A 47 -11.247 -9.053 -9.508 1.00 70.31 H new ATOM 0 HB2 GLU A 47 -13.830 -7.744 -10.431 1.00 73.23 H new ATOM 0 HB3 GLU A 47 -12.331 -7.595 -11.327 1.00 73.23 H new ATOM 0 HG2 GLU A 47 -13.648 -9.374 -12.303 1.00 3.32 H new ATOM 0 HG3 GLU A 47 -12.223 -10.071 -11.557 1.00 3.32 H new ATOM 726 N TYR A 48 -12.245 -6.334 -8.008 1.00 70.52 N ATOM 727 CA TYR A 48 -11.766 -5.073 -7.437 1.00 10.45 C ATOM 728 C TYR A 48 -10.675 -5.350 -6.390 1.00 44.33 C ATOM 729 O TYR A 48 -9.683 -4.625 -6.287 1.00 12.23 O ATOM 730 CB TYR A 48 -12.930 -4.297 -6.794 1.00 52.51 C ATOM 731 CG TYR A 48 -12.724 -2.793 -6.772 1.00 43.44 C ATOM 732 CD1 TYR A 48 -11.777 -2.203 -5.946 1.00 34.32 C ATOM 733 CD2 TYR A 48 -13.467 -1.964 -7.603 1.00 50.23 C ATOM 734 CE1 TYR A 48 -11.578 -0.836 -5.950 1.00 21.33 C ATOM 735 CE2 TYR A 48 -13.279 -0.599 -7.608 1.00 50.41 C ATOM 736 CZ TYR A 48 -12.329 -0.039 -6.786 1.00 3.02 C ATOM 737 OH TYR A 48 -12.135 1.323 -6.799 1.00 33.53 O ATOM 0 H TYR A 48 -13.153 -6.637 -7.656 1.00 70.52 H new ATOM 0 HA TYR A 48 -11.344 -4.466 -8.238 1.00 10.45 H new ATOM 0 HB2 TYR A 48 -13.848 -4.521 -7.337 1.00 52.51 H new ATOM 0 HB3 TYR A 48 -13.070 -4.650 -5.772 1.00 52.51 H new ATOM 0 HD1 TYR A 48 -11.186 -2.823 -5.289 1.00 34.32 H new ATOM 0 HD2 TYR A 48 -14.207 -2.398 -8.259 1.00 50.23 H new ATOM 0 HE1 TYR A 48 -10.837 -0.394 -5.301 1.00 21.33 H new ATOM 0 HE2 TYR A 48 -13.875 0.028 -8.254 1.00 50.41 H new ATOM 0 HH TYR A 48 -12.746 1.734 -7.446 1.00 33.53 H new ATOM 747 N PHE A 49 -10.873 -6.423 -5.629 1.00 45.32 N ATOM 748 CA PHE A 49 -9.938 -6.842 -4.581 1.00 51.21 C ATOM 749 C PHE A 49 -8.542 -7.090 -5.175 1.00 11.02 C ATOM 750 O PHE A 49 -7.583 -6.376 -4.874 1.00 60.44 O ATOM 751 CB PHE A 49 -10.485 -8.117 -3.905 1.00 1.52 C ATOM 752 CG PHE A 49 -9.729 -8.580 -2.680 1.00 34.23 C ATOM 753 CD1 PHE A 49 -8.565 -9.332 -2.800 1.00 12.51 C ATOM 754 CD2 PHE A 49 -10.191 -8.275 -1.403 1.00 72.11 C ATOM 755 CE1 PHE A 49 -7.885 -9.766 -1.679 1.00 3.22 C ATOM 756 CE2 PHE A 49 -9.513 -8.711 -0.280 1.00 55.30 C ATOM 757 CZ PHE A 49 -8.356 -9.454 -0.418 1.00 31.13 C ATOM 0 H PHE A 49 -11.688 -7.030 -5.720 1.00 45.32 H new ATOM 0 HA PHE A 49 -9.843 -6.053 -3.835 1.00 51.21 H new ATOM 0 HB2 PHE A 49 -11.524 -7.942 -3.625 1.00 1.52 H new ATOM 0 HB3 PHE A 49 -10.485 -8.924 -4.637 1.00 1.52 H new ATOM 0 HD1 PHE A 49 -8.188 -9.579 -3.782 1.00 12.51 H new ATOM 0 HD2 PHE A 49 -11.091 -7.690 -1.288 1.00 72.11 H new ATOM 0 HE1 PHE A 49 -6.983 -10.350 -1.788 1.00 3.22 H new ATOM 0 HE2 PHE A 49 -9.887 -8.471 0.704 1.00 55.30 H new ATOM 0 HZ PHE A 49 -7.821 -9.790 0.458 1.00 31.13 H new ATOM 767 N ASN A 50 -8.449 -8.066 -6.071 1.00 22.20 N ATOM 768 CA ASN A 50 -7.163 -8.437 -6.673 1.00 40.24 C ATOM 769 C ASN A 50 -6.636 -7.365 -7.650 1.00 24.12 C ATOM 770 O ASN A 50 -5.573 -7.531 -8.256 1.00 11.53 O ATOM 771 CB ASN A 50 -7.281 -9.802 -7.365 1.00 52.24 C ATOM 772 CG ASN A 50 -8.413 -9.868 -8.379 1.00 33.22 C ATOM 773 OD1 ASN A 50 -8.745 -8.888 -9.031 1.00 53.31 O ATOM 774 ND2 ASN A 50 -9.024 -11.026 -8.506 1.00 33.21 N ATOM 0 H ASN A 50 -9.243 -8.616 -6.399 1.00 22.20 H new ATOM 0 HA ASN A 50 -6.432 -8.507 -5.868 1.00 40.24 H new ATOM 0 HB2 ASN A 50 -6.340 -10.030 -7.866 1.00 52.24 H new ATOM 0 HB3 ASN A 50 -7.434 -10.572 -6.609 1.00 52.24 H new ATOM 0 HD21 ASN A 50 -9.798 -11.125 -9.163 1.00 33.21 H new ATOM 0 HD22 ASN A 50 -8.724 -11.825 -7.948 1.00 33.21 H new ATOM 781 N ALA A 51 -7.382 -6.272 -7.800 1.00 2.54 N ATOM 782 CA ALA A 51 -6.970 -5.157 -8.661 1.00 51.40 C ATOM 783 C ALA A 51 -6.276 -4.027 -7.875 1.00 72.33 C ATOM 784 O ALA A 51 -5.362 -3.381 -8.392 1.00 13.11 O ATOM 785 CB ALA A 51 -8.174 -4.604 -9.415 1.00 34.12 C ATOM 0 H ALA A 51 -8.279 -6.131 -7.336 1.00 2.54 H new ATOM 0 HA ALA A 51 -6.241 -5.552 -9.368 1.00 51.40 H new ATOM 0 HB1 ALA A 51 -7.857 -3.777 -10.051 1.00 34.12 H new ATOM 0 HB2 ALA A 51 -8.609 -5.390 -10.032 1.00 34.12 H new ATOM 0 HB3 ALA A 51 -8.918 -4.249 -8.702 1.00 34.12 H new ATOM 791 N VAL A 52 -6.708 -3.780 -6.631 1.00 14.33 N ATOM 792 CA VAL A 52 -6.189 -2.638 -5.849 1.00 4.04 C ATOM 793 C VAL A 52 -5.611 -3.035 -4.474 1.00 73.42 C ATOM 794 O VAL A 52 -5.182 -2.168 -3.714 1.00 43.51 O ATOM 795 CB VAL A 52 -7.287 -1.567 -5.620 1.00 41.10 C ATOM 796 CG1 VAL A 52 -7.811 -1.027 -6.949 1.00 34.14 C ATOM 797 CG2 VAL A 52 -8.426 -2.128 -4.772 1.00 44.24 C ATOM 0 H VAL A 52 -7.406 -4.344 -6.145 1.00 14.33 H new ATOM 0 HA VAL A 52 -5.376 -2.235 -6.454 1.00 4.04 H new ATOM 0 HB VAL A 52 -6.838 -0.737 -5.075 1.00 41.10 H new ATOM 0 HG11 VAL A 52 -8.580 -0.278 -6.760 1.00 34.14 H new ATOM 0 HG12 VAL A 52 -6.991 -0.573 -7.506 1.00 34.14 H new ATOM 0 HG13 VAL A 52 -8.237 -1.844 -7.531 1.00 34.14 H new ATOM 0 HG21 VAL A 52 -9.184 -1.358 -4.625 1.00 44.24 H new ATOM 0 HG22 VAL A 52 -8.871 -2.983 -5.281 1.00 44.24 H new ATOM 0 HG23 VAL A 52 -8.037 -2.444 -3.804 1.00 44.24 H new ATOM 807 N ASN A 53 -5.588 -4.327 -4.147 1.00 51.10 N ATOM 808 CA ASN A 53 -5.124 -4.770 -2.814 1.00 35.31 C ATOM 809 C ASN A 53 -3.611 -5.046 -2.765 1.00 3.04 C ATOM 810 O ASN A 53 -3.167 -5.911 -2.015 1.00 61.10 O ATOM 811 CB ASN A 53 -5.880 -6.031 -2.363 1.00 22.32 C ATOM 812 CG ASN A 53 -7.313 -5.747 -1.954 1.00 13.53 C ATOM 813 OD1 ASN A 53 -7.993 -4.882 -2.680 1.00 44.04 O flip ATOM 814 ND2 ASN A 53 -7.819 -6.323 -1.000 1.00 41.02 N flip ATOM 0 H ASN A 53 -5.878 -5.081 -4.769 1.00 51.10 H new ATOM 0 HA ASN A 53 -5.334 -3.944 -2.134 1.00 35.31 H new ATOM 0 HB2 ASN A 53 -5.877 -6.760 -3.174 1.00 22.32 H new ATOM 0 HB3 ASN A 53 -5.352 -6.485 -1.525 1.00 22.32 H new ATOM 0 HD21 ASN A 53 -7.269 -6.988 -0.455 1.00 41.02 H new ATOM 0 HD22 ASN A 53 -8.790 -6.138 -0.749 1.00 41.02 H new ATOM 821 N TYR A 54 -2.809 -4.290 -3.510 1.00 63.32 N ATOM 822 CA TYR A 54 -1.356 -4.525 -3.535 1.00 60.53 C ATOM 823 C TYR A 54 -0.559 -3.240 -3.797 1.00 71.14 C ATOM 824 O TYR A 54 -1.087 -2.261 -4.327 1.00 44.44 O ATOM 825 CB TYR A 54 -1.003 -5.586 -4.589 1.00 65.34 C ATOM 826 CG TYR A 54 -1.446 -5.224 -5.993 1.00 35.41 C ATOM 827 CD1 TYR A 54 -2.710 -5.572 -6.449 1.00 42.14 C ATOM 828 CD2 TYR A 54 -0.601 -4.534 -6.859 1.00 62.23 C ATOM 829 CE1 TYR A 54 -3.120 -5.245 -7.723 1.00 73.32 C ATOM 830 CE2 TYR A 54 -1.008 -4.202 -8.136 1.00 42.14 C ATOM 831 CZ TYR A 54 -2.268 -4.560 -8.564 1.00 3.51 C ATOM 832 OH TYR A 54 -2.682 -4.231 -9.834 1.00 11.52 O ATOM 0 H TYR A 54 -3.127 -3.520 -4.098 1.00 63.32 H new ATOM 0 HA TYR A 54 -1.076 -4.886 -2.546 1.00 60.53 H new ATOM 0 HB2 TYR A 54 0.076 -5.742 -4.587 1.00 65.34 H new ATOM 0 HB3 TYR A 54 -1.462 -6.533 -4.306 1.00 65.34 H new ATOM 0 HD1 TYR A 54 -3.382 -6.107 -5.795 1.00 42.14 H new ATOM 0 HD2 TYR A 54 0.388 -4.254 -6.527 1.00 62.23 H new ATOM 0 HE1 TYR A 54 -4.106 -5.524 -8.062 1.00 73.32 H new ATOM 0 HE2 TYR A 54 -0.343 -3.665 -8.796 1.00 42.14 H new ATOM 0 HH TYR A 54 -3.597 -3.881 -9.800 1.00 11.52 H new ATOM 842 N ALA A 55 0.718 -3.260 -3.422 1.00 2.14 N ATOM 843 CA ALA A 55 1.630 -2.137 -3.667 1.00 41.53 C ATOM 844 C ALA A 55 2.934 -2.622 -4.315 1.00 12.42 C ATOM 845 O ALA A 55 3.540 -3.595 -3.858 1.00 2.43 O ATOM 846 CB ALA A 55 1.931 -1.412 -2.361 1.00 2.43 C ATOM 0 H ALA A 55 1.151 -4.049 -2.942 1.00 2.14 H new ATOM 0 HA ALA A 55 1.144 -1.445 -4.355 1.00 41.53 H new ATOM 0 HB1 ALA A 55 2.609 -0.580 -2.554 1.00 2.43 H new ATOM 0 HB2 ALA A 55 1.003 -1.032 -1.934 1.00 2.43 H new ATOM 0 HB3 ALA A 55 2.397 -2.104 -1.660 1.00 2.43 H new ATOM 852 N GLU A 56 3.365 -1.946 -5.378 1.00 23.31 N ATOM 853 CA GLU A 56 4.598 -2.316 -6.078 1.00 45.51 C ATOM 854 C GLU A 56 5.816 -1.625 -5.450 1.00 13.24 C ATOM 855 O GLU A 56 5.944 -0.401 -5.486 1.00 65.12 O ATOM 856 CB GLU A 56 4.505 -1.980 -7.572 1.00 53.51 C ATOM 857 CG GLU A 56 3.361 -2.688 -8.292 1.00 2.10 C ATOM 858 CD GLU A 56 3.495 -2.637 -9.806 1.00 34.24 C ATOM 859 OE1 GLU A 56 3.424 -1.529 -10.379 1.00 10.44 O ATOM 860 OE2 GLU A 56 3.684 -3.705 -10.429 1.00 12.33 O ATOM 0 H GLU A 56 2.881 -1.140 -5.775 1.00 23.31 H new ATOM 0 HA GLU A 56 4.725 -3.394 -5.976 1.00 45.51 H new ATOM 0 HB2 GLU A 56 4.382 -0.903 -7.686 1.00 53.51 H new ATOM 0 HB3 GLU A 56 5.446 -2.246 -8.054 1.00 53.51 H new ATOM 0 HG2 GLU A 56 3.324 -3.729 -7.970 1.00 2.10 H new ATOM 0 HG3 GLU A 56 2.416 -2.230 -8.000 1.00 2.10 H new ATOM 867 N ILE A 57 6.702 -2.432 -4.880 1.00 51.43 N ATOM 868 CA ILE A 57 7.858 -1.945 -4.123 1.00 71.41 C ATOM 869 C ILE A 57 9.179 -2.243 -4.857 1.00 10.41 C ATOM 870 O ILE A 57 9.285 -3.244 -5.568 1.00 52.31 O ATOM 871 CB ILE A 57 7.886 -2.631 -2.734 1.00 34.22 C ATOM 872 CG1 ILE A 57 6.503 -2.517 -2.065 1.00 33.51 C ATOM 873 CG2 ILE A 57 8.974 -2.024 -1.841 1.00 72.21 C ATOM 874 CD1 ILE A 57 6.280 -3.520 -0.958 1.00 52.44 C ATOM 0 H ILE A 57 6.642 -3.449 -4.928 1.00 51.43 H new ATOM 0 HA ILE A 57 7.761 -0.865 -4.015 1.00 71.41 H new ATOM 0 HB ILE A 57 8.124 -3.686 -2.873 1.00 34.22 H new ATOM 0 HG12 ILE A 57 6.386 -1.511 -1.661 1.00 33.51 H new ATOM 0 HG13 ILE A 57 5.731 -2.648 -2.823 1.00 33.51 H new ATOM 0 HG21 ILE A 57 8.971 -2.524 -0.873 1.00 72.21 H new ATOM 0 HG22 ILE A 57 9.947 -2.154 -2.314 1.00 72.21 H new ATOM 0 HG23 ILE A 57 8.778 -0.961 -1.701 1.00 72.21 H new ATOM 0 HD11 ILE A 57 5.286 -3.379 -0.534 1.00 52.44 H new ATOM 0 HD12 ILE A 57 6.364 -4.530 -1.360 1.00 52.44 H new ATOM 0 HD13 ILE A 57 7.030 -3.376 -0.180 1.00 52.44 H new ATOM 886 N ASN A 58 10.178 -1.378 -4.689 1.00 21.03 N ATOM 887 CA ASN A 58 11.508 -1.619 -5.267 1.00 74.32 C ATOM 888 C ASN A 58 12.215 -2.778 -4.541 1.00 65.32 C ATOM 889 O ASN A 58 12.123 -2.897 -3.319 1.00 42.41 O ATOM 890 CB ASN A 58 12.362 -0.351 -5.181 1.00 13.03 C ATOM 891 CG ASN A 58 13.739 -0.538 -5.794 1.00 23.12 C ATOM 892 OD1 ASN A 58 14.681 -0.946 -5.128 1.00 12.13 O ATOM 893 ND2 ASN A 58 13.864 -0.249 -7.071 1.00 40.14 N ATOM 0 H ASN A 58 10.097 -0.508 -4.162 1.00 21.03 H new ATOM 0 HA ASN A 58 11.380 -1.891 -6.315 1.00 74.32 H new ATOM 0 HB2 ASN A 58 11.849 0.465 -5.690 1.00 13.03 H new ATOM 0 HB3 ASN A 58 12.469 -0.058 -4.136 1.00 13.03 H new ATOM 0 HD21 ASN A 58 14.766 -0.363 -7.534 1.00 40.14 H new ATOM 0 HD22 ASN A 58 13.059 0.089 -7.599 1.00 40.14 H new ATOM 900 N GLU A 59 12.925 -3.622 -5.293 1.00 54.02 N ATOM 901 CA GLU A 59 13.600 -4.793 -4.713 1.00 74.33 C ATOM 902 C GLU A 59 14.547 -4.431 -3.551 1.00 63.14 C ATOM 903 O GLU A 59 14.641 -5.168 -2.568 1.00 41.23 O ATOM 904 CB GLU A 59 14.366 -5.567 -5.790 1.00 44.15 C ATOM 905 CG GLU A 59 15.069 -6.806 -5.249 1.00 53.12 C ATOM 906 CD GLU A 59 15.596 -7.718 -6.343 1.00 44.54 C ATOM 907 OE1 GLU A 59 16.706 -7.455 -6.853 1.00 20.03 O ATOM 908 OE2 GLU A 59 14.912 -8.708 -6.683 1.00 24.42 O ATOM 0 H GLU A 59 13.049 -3.520 -6.300 1.00 54.02 H new ATOM 0 HA GLU A 59 12.813 -5.424 -4.300 1.00 74.33 H new ATOM 0 HB2 GLU A 59 13.673 -5.864 -6.577 1.00 44.15 H new ATOM 0 HB3 GLU A 59 15.104 -4.908 -6.247 1.00 44.15 H new ATOM 0 HG2 GLU A 59 15.897 -6.497 -4.612 1.00 53.12 H new ATOM 0 HG3 GLU A 59 14.375 -7.365 -4.621 1.00 53.12 H new ATOM 915 N GLU A 60 15.244 -3.306 -3.660 1.00 61.24 N ATOM 916 CA GLU A 60 16.121 -2.837 -2.576 1.00 65.21 C ATOM 917 C GLU A 60 15.347 -2.674 -1.255 1.00 24.32 C ATOM 918 O GLU A 60 15.736 -3.231 -0.223 1.00 10.13 O ATOM 919 CB GLU A 60 16.792 -1.511 -2.963 1.00 33.10 C ATOM 920 CG GLU A 60 17.934 -1.656 -3.964 1.00 23.12 C ATOM 921 CD GLU A 60 19.187 -2.269 -3.347 1.00 4.10 C ATOM 922 OE1 GLU A 60 19.207 -3.497 -3.120 1.00 74.30 O ATOM 923 OE2 GLU A 60 20.151 -1.521 -3.072 1.00 63.11 O ATOM 0 H GLU A 60 15.224 -2.700 -4.480 1.00 61.24 H new ATOM 0 HA GLU A 60 16.891 -3.594 -2.424 1.00 65.21 H new ATOM 0 HB2 GLU A 60 16.039 -0.845 -3.383 1.00 33.10 H new ATOM 0 HB3 GLU A 60 17.173 -1.033 -2.061 1.00 33.10 H new ATOM 0 HG2 GLU A 60 17.604 -2.277 -4.797 1.00 23.12 H new ATOM 0 HG3 GLU A 60 18.179 -0.676 -4.374 1.00 23.12 H new ATOM 930 N ASP A 61 14.252 -1.915 -1.293 1.00 24.40 N ATOM 931 CA ASP A 61 13.390 -1.747 -0.117 1.00 51.33 C ATOM 932 C ASP A 61 12.770 -3.093 0.291 1.00 20.04 C ATOM 933 O ASP A 61 12.635 -3.404 1.475 1.00 25.11 O ATOM 934 CB ASP A 61 12.286 -0.728 -0.411 1.00 43.15 C ATOM 935 CG ASP A 61 12.842 0.585 -0.932 1.00 11.51 C ATOM 936 OD1 ASP A 61 13.515 1.305 -0.162 1.00 11.33 O ATOM 937 OD2 ASP A 61 12.631 0.891 -2.120 1.00 2.44 O ATOM 0 H ASP A 61 13.939 -1.407 -2.121 1.00 24.40 H new ATOM 0 HA ASP A 61 13.999 -1.379 0.708 1.00 51.33 H new ATOM 0 HB2 ASP A 61 11.595 -1.145 -1.144 1.00 43.15 H new ATOM 0 HB3 ASP A 61 11.713 -0.543 0.498 1.00 43.15 H new ATOM 942 N TRP A 62 12.411 -3.884 -0.717 1.00 11.02 N ATOM 943 CA TRP A 62 11.869 -5.233 -0.526 1.00 74.14 C ATOM 944 C TRP A 62 12.795 -6.094 0.348 1.00 62.43 C ATOM 945 O TRP A 62 12.341 -6.793 1.260 1.00 30.11 O ATOM 946 CB TRP A 62 11.682 -5.890 -1.899 1.00 44.12 C ATOM 947 CG TRP A 62 11.106 -7.271 -1.855 1.00 41.25 C ATOM 948 CD1 TRP A 62 11.786 -8.451 -1.742 1.00 3.33 C ATOM 949 CD2 TRP A 62 9.723 -7.608 -1.944 1.00 2.02 C ATOM 950 NE1 TRP A 62 10.902 -9.500 -1.744 1.00 0.25 N ATOM 951 CE2 TRP A 62 9.632 -9.006 -1.872 1.00 42.20 C ATOM 952 CE3 TRP A 62 8.550 -6.859 -2.075 1.00 75.55 C ATOM 953 CZ2 TRP A 62 8.419 -9.671 -1.929 1.00 33.33 C ATOM 954 CZ3 TRP A 62 7.345 -7.523 -2.131 1.00 4.25 C ATOM 955 CH2 TRP A 62 7.286 -8.917 -2.059 1.00 52.52 C ATOM 0 H TRP A 62 12.487 -3.608 -1.696 1.00 11.02 H new ATOM 0 HA TRP A 62 10.911 -5.156 -0.011 1.00 74.14 H new ATOM 0 HB2 TRP A 62 11.032 -5.258 -2.504 1.00 44.12 H new ATOM 0 HB3 TRP A 62 12.648 -5.929 -2.403 1.00 44.12 H new ATOM 0 HD1 TRP A 62 12.859 -8.544 -1.663 1.00 3.33 H new ATOM 0 HE1 TRP A 62 11.150 -10.486 -1.663 1.00 0.25 H new ATOM 0 HE3 TRP A 62 8.588 -5.781 -2.131 1.00 75.55 H new ATOM 0 HZ2 TRP A 62 8.370 -10.748 -1.873 1.00 33.33 H new ATOM 0 HZ3 TRP A 62 6.431 -6.957 -2.232 1.00 4.25 H new ATOM 0 HH2 TRP A 62 6.326 -9.409 -2.107 1.00 52.52 H new ATOM 966 N ASN A 63 14.094 -6.047 0.054 1.00 75.20 N ATOM 967 CA ASN A 63 15.093 -6.789 0.830 1.00 42.25 C ATOM 968 C ASN A 63 15.257 -6.184 2.236 1.00 24.02 C ATOM 969 O ASN A 63 15.340 -6.905 3.231 1.00 43.43 O ATOM 970 CB ASN A 63 16.447 -6.792 0.103 1.00 72.31 C ATOM 971 CG ASN A 63 16.366 -7.336 -1.316 1.00 5.03 C ATOM 972 OD1 ASN A 63 15.530 -8.174 -1.639 1.00 40.43 O ATOM 973 ND2 ASN A 63 17.248 -6.868 -2.175 1.00 12.30 N ATOM 0 H ASN A 63 14.482 -5.503 -0.717 1.00 75.20 H new ATOM 0 HA ASN A 63 14.742 -7.816 0.932 1.00 42.25 H new ATOM 0 HB2 ASN A 63 16.838 -5.775 0.073 1.00 72.31 H new ATOM 0 HB3 ASN A 63 17.157 -7.390 0.674 1.00 72.31 H new ATOM 0 HD21 ASN A 63 17.248 -7.202 -3.139 1.00 12.30 H new ATOM 0 HD22 ASN A 63 17.931 -6.172 -1.876 1.00 12.30 H new ATOM 980 N ALA A 64 15.281 -4.850 2.304 1.00 21.23 N ATOM 981 CA ALA A 64 15.465 -4.128 3.573 1.00 33.20 C ATOM 982 C ALA A 64 14.344 -4.418 4.584 1.00 2.22 C ATOM 983 O ALA A 64 14.585 -4.501 5.789 1.00 70.34 O ATOM 984 CB ALA A 64 15.547 -2.630 3.307 1.00 53.11 C ATOM 0 H ALA A 64 15.175 -4.242 1.492 1.00 21.23 H new ATOM 0 HA ALA A 64 16.397 -4.482 4.014 1.00 33.20 H new ATOM 0 HB1 ALA A 64 15.683 -2.100 4.250 1.00 53.11 H new ATOM 0 HB2 ALA A 64 16.391 -2.423 2.649 1.00 53.11 H new ATOM 0 HB3 ALA A 64 14.625 -2.294 2.832 1.00 53.11 H new ATOM 990 N LEU A 65 13.119 -4.551 4.084 1.00 71.41 N ATOM 991 CA LEU A 65 11.956 -4.842 4.933 1.00 11.34 C ATOM 992 C LEU A 65 11.771 -6.354 5.150 1.00 51.14 C ATOM 993 O LEU A 65 10.915 -6.776 5.931 1.00 52.24 O ATOM 994 CB LEU A 65 10.691 -4.245 4.301 1.00 41.02 C ATOM 995 CG LEU A 65 10.706 -2.720 4.126 1.00 72.23 C ATOM 996 CD1 LEU A 65 9.469 -2.248 3.365 1.00 22.22 C ATOM 997 CD2 LEU A 65 10.802 -2.021 5.481 1.00 72.30 C ATOM 0 H LEU A 65 12.900 -4.462 3.092 1.00 71.41 H new ATOM 0 HA LEU A 65 12.131 -4.387 5.908 1.00 11.34 H new ATOM 0 HB2 LEU A 65 10.540 -4.705 3.325 1.00 41.02 H new ATOM 0 HB3 LEU A 65 9.834 -4.516 4.917 1.00 41.02 H new ATOM 0 HG LEU A 65 11.587 -2.456 3.541 1.00 72.23 H new ATOM 0 HD11 LEU A 65 9.502 -1.164 3.253 1.00 22.22 H new ATOM 0 HD12 LEU A 65 9.448 -2.714 2.380 1.00 22.22 H new ATOM 0 HD13 LEU A 65 8.573 -2.529 3.918 1.00 22.22 H new ATOM 0 HD21 LEU A 65 10.811 -0.941 5.333 1.00 72.30 H new ATOM 0 HD22 LEU A 65 9.944 -2.296 6.094 1.00 72.30 H new ATOM 0 HD23 LEU A 65 11.720 -2.326 5.984 1.00 72.30 H new ATOM 1009 N GLY A 66 12.580 -7.161 4.458 1.00 30.35 N ATOM 1010 CA GLY A 66 12.464 -8.615 4.544 1.00 32.24 C ATOM 1011 C GLY A 66 11.083 -9.123 4.147 1.00 52.21 C ATOM 1012 O GLY A 66 10.459 -9.902 4.874 1.00 13.12 O ATOM 0 H GLY A 66 13.318 -6.832 3.836 1.00 30.35 H new ATOM 0 HA2 GLY A 66 13.214 -9.073 3.899 1.00 32.24 H new ATOM 0 HA3 GLY A 66 12.683 -8.933 5.563 1.00 32.24 H new ATOM 1016 N LEU A 67 10.605 -8.685 2.991 1.00 73.04 N ATOM 1017 CA LEU A 67 9.252 -9.018 2.534 1.00 31.52 C ATOM 1018 C LEU A 67 9.211 -10.296 1.686 1.00 12.13 C ATOM 1019 O LEU A 67 10.228 -10.745 1.146 1.00 42.03 O ATOM 1020 CB LEU A 67 8.672 -7.845 1.741 1.00 5.31 C ATOM 1021 CG LEU A 67 8.504 -6.549 2.545 1.00 51.13 C ATOM 1022 CD1 LEU A 67 8.015 -5.415 1.649 1.00 12.41 C ATOM 1023 CD2 LEU A 67 7.556 -6.770 3.726 1.00 43.32 C ATOM 0 H LEU A 67 11.132 -8.096 2.346 1.00 73.04 H new ATOM 0 HA LEU A 67 8.648 -9.206 3.422 1.00 31.52 H new ATOM 0 HB2 LEU A 67 9.320 -7.646 0.887 1.00 5.31 H new ATOM 0 HB3 LEU A 67 7.701 -8.138 1.343 1.00 5.31 H new ATOM 0 HG LEU A 67 9.477 -6.261 2.943 1.00 51.13 H new ATOM 0 HD11 LEU A 67 7.903 -4.506 2.241 1.00 12.41 H new ATOM 0 HD12 LEU A 67 8.739 -5.243 0.852 1.00 12.41 H new ATOM 0 HD13 LEU A 67 7.053 -5.685 1.213 1.00 12.41 H new ATOM 0 HD21 LEU A 67 7.448 -5.841 4.285 1.00 43.32 H new ATOM 0 HD22 LEU A 67 6.581 -7.086 3.356 1.00 43.32 H new ATOM 0 HD23 LEU A 67 7.963 -7.542 4.380 1.00 43.32 H new ATOM 1035 N GLN A 68 8.013 -10.870 1.590 1.00 74.30 N ATOM 1036 CA GLN A 68 7.754 -12.066 0.784 1.00 14.43 C ATOM 1037 C GLN A 68 6.613 -11.808 -0.203 1.00 31.44 C ATOM 1038 O GLN A 68 5.646 -11.119 0.121 1.00 51.43 O ATOM 1039 CB GLN A 68 7.387 -13.260 1.676 1.00 5.03 C ATOM 1040 CG GLN A 68 8.564 -13.850 2.451 1.00 5.10 C ATOM 1041 CD GLN A 68 8.774 -13.208 3.818 1.00 43.23 C ATOM 1042 OE1 GLN A 68 8.445 -12.047 4.043 1.00 62.14 O ATOM 1043 NE2 GLN A 68 9.318 -13.964 4.748 1.00 55.44 N ATOM 0 H GLN A 68 7.187 -10.517 2.073 1.00 74.30 H new ATOM 0 HA GLN A 68 8.666 -12.300 0.235 1.00 14.43 H new ATOM 0 HB2 GLN A 68 6.620 -12.947 2.385 1.00 5.03 H new ATOM 0 HB3 GLN A 68 6.948 -14.041 1.055 1.00 5.03 H new ATOM 0 HG2 GLN A 68 8.403 -14.920 2.582 1.00 5.10 H new ATOM 0 HG3 GLN A 68 9.473 -13.734 1.860 1.00 5.10 H new ATOM 0 HE21 GLN A 68 9.582 -14.926 4.534 1.00 55.44 H new ATOM 0 HE22 GLN A 68 9.476 -13.588 5.683 1.00 55.44 H new ATOM 1052 N GLU A 69 6.716 -12.368 -1.403 1.00 53.04 N ATOM 1053 CA GLU A 69 5.690 -12.154 -2.423 1.00 51.40 C ATOM 1054 C GLU A 69 4.342 -12.721 -1.976 1.00 41.35 C ATOM 1055 O GLU A 69 4.065 -13.917 -2.114 1.00 54.34 O ATOM 1056 CB GLU A 69 6.125 -12.748 -3.767 1.00 24.43 C ATOM 1057 CG GLU A 69 7.276 -11.977 -4.396 1.00 61.35 C ATOM 1058 CD GLU A 69 7.707 -12.532 -5.743 1.00 4.21 C ATOM 1059 OE1 GLU A 69 7.163 -12.094 -6.775 1.00 23.15 O ATOM 1060 OE2 GLU A 69 8.598 -13.407 -5.777 1.00 51.24 O ATOM 0 H GLU A 69 7.489 -12.967 -1.694 1.00 53.04 H new ATOM 0 HA GLU A 69 5.567 -11.079 -2.557 1.00 51.40 H new ATOM 0 HB2 GLU A 69 6.423 -13.787 -3.623 1.00 24.43 H new ATOM 0 HB3 GLU A 69 5.277 -12.752 -4.451 1.00 24.43 H new ATOM 0 HG2 GLU A 69 6.982 -10.934 -4.518 1.00 61.35 H new ATOM 0 HG3 GLU A 69 8.128 -11.991 -3.716 1.00 61.35 H new ATOM 1067 N GLY A 70 3.525 -11.846 -1.399 1.00 24.22 N ATOM 1068 CA GLY A 70 2.212 -12.242 -0.908 1.00 11.51 C ATOM 1069 C GLY A 70 1.952 -11.873 0.555 1.00 4.35 C ATOM 1070 O GLY A 70 0.833 -12.065 1.042 1.00 4.54 O ATOM 0 H GLY A 70 3.749 -10.861 -1.261 1.00 24.22 H new ATOM 0 HA2 GLY A 70 1.448 -11.776 -1.530 1.00 11.51 H new ATOM 0 HA3 GLY A 70 2.103 -13.320 -1.024 1.00 11.51 H new ATOM 1074 N ASP A 71 2.966 -11.364 1.273 1.00 53.54 N ATOM 1075 CA ASP A 71 2.769 -10.956 2.679 1.00 54.11 C ATOM 1076 C ASP A 71 2.089 -9.570 2.782 1.00 51.24 C ATOM 1077 O ASP A 71 1.729 -8.963 1.768 1.00 24.04 O ATOM 1078 CB ASP A 71 4.103 -10.988 3.454 1.00 54.33 C ATOM 1079 CG ASP A 71 4.891 -9.689 3.401 1.00 51.42 C ATOM 1080 OD1 ASP A 71 5.656 -9.486 2.444 1.00 35.41 O ATOM 1081 OD2 ASP A 71 4.783 -8.889 4.355 1.00 14.22 O ATOM 0 H ASP A 71 3.912 -11.226 0.916 1.00 53.54 H new ATOM 0 HA ASP A 71 2.096 -11.678 3.141 1.00 54.11 H new ATOM 0 HB2 ASP A 71 3.898 -11.232 4.496 1.00 54.33 H new ATOM 0 HB3 ASP A 71 4.722 -11.791 3.054 1.00 54.33 H new ATOM 1086 N ARG A 72 1.909 -9.078 4.015 1.00 74.30 N ATOM 1087 CA ARG A 72 1.161 -7.834 4.255 1.00 43.50 C ATOM 1088 C ARG A 72 2.084 -6.657 4.613 1.00 61.43 C ATOM 1089 O ARG A 72 2.843 -6.716 5.587 1.00 72.33 O ATOM 1090 CB ARG A 72 0.135 -8.011 5.388 1.00 10.53 C ATOM 1091 CG ARG A 72 -0.890 -9.124 5.166 1.00 25.44 C ATOM 1092 CD ARG A 72 -0.324 -10.506 5.482 1.00 31.32 C ATOM 1093 NE ARG A 72 -1.341 -11.552 5.385 1.00 2.34 N ATOM 1094 CZ ARG A 72 -1.406 -12.588 6.176 1.00 1.13 C ATOM 1095 NH1 ARG A 72 -0.545 -12.744 7.131 1.00 32.53 N ATOM 1096 NH2 ARG A 72 -2.333 -13.470 6.007 1.00 0.14 N ATOM 0 H ARG A 72 2.270 -9.520 4.861 1.00 74.30 H new ATOM 0 HA ARG A 72 0.649 -7.607 3.320 1.00 43.50 H new ATOM 0 HB2 ARG A 72 0.672 -8.212 6.315 1.00 10.53 H new ATOM 0 HB3 ARG A 72 -0.397 -7.070 5.525 1.00 10.53 H new ATOM 0 HG2 ARG A 72 -1.764 -8.940 5.792 1.00 25.44 H new ATOM 0 HG3 ARG A 72 -1.229 -9.101 4.130 1.00 25.44 H new ATOM 0 HD2 ARG A 72 0.492 -10.729 4.794 1.00 31.32 H new ATOM 0 HD3 ARG A 72 0.098 -10.503 6.487 1.00 31.32 H new ATOM 0 HE ARG A 72 -2.045 -11.466 4.652 1.00 2.34 H new ATOM 0 HH11 ARG A 72 0.193 -12.054 7.270 1.00 32.53 H new ATOM 0 HH12 ARG A 72 -0.605 -13.557 7.744 1.00 32.53 H new ATOM 0 HH21 ARG A 72 -3.014 -13.357 5.256 1.00 0.14 H new ATOM 0 HH22 ARG A 72 -2.385 -14.280 6.625 1.00 0.14 H new ATOM 1110 N VAL A 73 1.987 -5.580 3.835 1.00 63.42 N ATOM 1111 CA VAL A 73 2.712 -4.336 4.121 1.00 42.32 C ATOM 1112 C VAL A 73 1.737 -3.201 4.462 1.00 70.35 C ATOM 1113 O VAL A 73 0.612 -3.157 3.957 1.00 5.34 O ATOM 1114 CB VAL A 73 3.600 -3.899 2.932 1.00 24.14 C ATOM 1115 CG1 VAL A 73 4.726 -4.899 2.711 1.00 42.44 C ATOM 1116 CG2 VAL A 73 2.768 -3.720 1.659 1.00 13.24 C ATOM 0 H VAL A 73 1.410 -5.541 2.995 1.00 63.42 H new ATOM 0 HA VAL A 73 3.354 -4.538 4.978 1.00 42.32 H new ATOM 0 HB VAL A 73 4.043 -2.934 3.176 1.00 24.14 H new ATOM 0 HG11 VAL A 73 5.340 -4.575 1.871 1.00 42.44 H new ATOM 0 HG12 VAL A 73 5.341 -4.958 3.609 1.00 42.44 H new ATOM 0 HG13 VAL A 73 4.304 -5.880 2.495 1.00 42.44 H new ATOM 0 HG21 VAL A 73 3.418 -3.413 0.840 1.00 13.24 H new ATOM 0 HG22 VAL A 73 2.285 -4.663 1.405 1.00 13.24 H new ATOM 0 HG23 VAL A 73 2.008 -2.956 1.825 1.00 13.24 H new ATOM 1126 N LYS A 74 2.170 -2.281 5.316 1.00 51.53 N ATOM 1127 CA LYS A 74 1.307 -1.192 5.769 1.00 44.12 C ATOM 1128 C LYS A 74 1.903 0.176 5.411 1.00 24.52 C ATOM 1129 O LYS A 74 3.075 0.446 5.674 1.00 71.24 O ATOM 1130 CB LYS A 74 1.090 -1.305 7.281 1.00 41.00 C ATOM 1131 CG LYS A 74 -0.106 -0.523 7.790 1.00 65.45 C ATOM 1132 CD LYS A 74 -0.318 -0.727 9.288 1.00 23.31 C ATOM 1133 CE LYS A 74 -1.626 -0.105 9.741 1.00 74.32 C ATOM 1134 NZ LYS A 74 -1.709 0.053 11.218 1.00 51.33 N ATOM 0 H LYS A 74 3.111 -2.266 5.709 1.00 51.53 H new ATOM 0 HA LYS A 74 0.347 -1.275 5.260 1.00 44.12 H new ATOM 0 HB2 LYS A 74 0.963 -2.356 7.542 1.00 41.00 H new ATOM 0 HB3 LYS A 74 1.986 -0.955 7.794 1.00 41.00 H new ATOM 0 HG2 LYS A 74 0.038 0.538 7.584 1.00 65.45 H new ATOM 0 HG3 LYS A 74 -1.001 -0.834 7.250 1.00 65.45 H new ATOM 0 HD2 LYS A 74 -0.319 -1.793 9.517 1.00 23.31 H new ATOM 0 HD3 LYS A 74 0.510 -0.283 9.840 1.00 23.31 H new ATOM 0 HE2 LYS A 74 -1.742 0.871 9.269 1.00 74.32 H new ATOM 0 HE3 LYS A 74 -2.455 -0.725 9.399 1.00 74.32 H new ATOM 0 HZ1 LYS A 74 -2.520 0.659 11.457 1.00 51.33 H new ATOM 0 HZ2 LYS A 74 -1.832 -0.880 11.661 1.00 51.33 H new ATOM 0 HZ3 LYS A 74 -0.834 0.491 11.570 1.00 51.33 H new ATOM 1148 N VAL A 75 1.087 1.033 4.805 1.00 13.13 N ATOM 1149 CA VAL A 75 1.527 2.367 4.387 1.00 31.41 C ATOM 1150 C VAL A 75 0.901 3.464 5.265 1.00 70.32 C ATOM 1151 O VAL A 75 -0.295 3.424 5.553 1.00 23.34 O ATOM 1152 CB VAL A 75 1.152 2.637 2.906 1.00 74.11 C ATOM 1153 CG1 VAL A 75 1.647 4.011 2.458 1.00 1.41 C ATOM 1154 CG2 VAL A 75 1.702 1.537 1.998 1.00 35.30 C ATOM 0 H VAL A 75 0.111 0.829 4.590 1.00 13.13 H new ATOM 0 HA VAL A 75 2.611 2.393 4.500 1.00 31.41 H new ATOM 0 HB VAL A 75 0.065 2.630 2.827 1.00 74.11 H new ATOM 0 HG11 VAL A 75 1.371 4.175 1.416 1.00 1.41 H new ATOM 0 HG12 VAL A 75 1.192 4.782 3.080 1.00 1.41 H new ATOM 0 HG13 VAL A 75 2.731 4.057 2.558 1.00 1.41 H new ATOM 0 HG21 VAL A 75 1.427 1.747 0.964 1.00 35.30 H new ATOM 0 HG22 VAL A 75 2.788 1.503 2.085 1.00 35.30 H new ATOM 0 HG23 VAL A 75 1.284 0.576 2.297 1.00 35.30 H new ATOM 1164 N LYS A 76 1.718 4.432 5.695 1.00 55.31 N ATOM 1165 CA LYS A 76 1.222 5.593 6.455 1.00 41.43 C ATOM 1166 C LYS A 76 1.648 6.916 5.805 1.00 63.05 C ATOM 1167 O LYS A 76 2.773 7.050 5.320 1.00 2.12 O ATOM 1168 CB LYS A 76 1.727 5.591 7.908 1.00 60.34 C ATOM 1169 CG LYS A 76 1.304 4.387 8.744 1.00 11.02 C ATOM 1170 CD LYS A 76 2.247 3.204 8.567 1.00 70.43 C ATOM 1171 CE LYS A 76 1.927 2.089 9.548 1.00 63.04 C ATOM 1172 NZ LYS A 76 2.907 0.984 9.463 1.00 42.30 N ATOM 0 H LYS A 76 2.725 4.438 5.532 1.00 55.31 H new ATOM 0 HA LYS A 76 0.135 5.509 6.449 1.00 41.43 H new ATOM 0 HB2 LYS A 76 2.816 5.640 7.897 1.00 60.34 H new ATOM 0 HB3 LYS A 76 1.372 6.497 8.400 1.00 60.34 H new ATOM 0 HG2 LYS A 76 1.273 4.670 9.796 1.00 11.02 H new ATOM 0 HG3 LYS A 76 0.294 4.089 8.464 1.00 11.02 H new ATOM 0 HD2 LYS A 76 2.172 2.826 7.547 1.00 70.43 H new ATOM 0 HD3 LYS A 76 3.276 3.533 8.710 1.00 70.43 H new ATOM 0 HE2 LYS A 76 1.917 2.489 10.562 1.00 63.04 H new ATOM 0 HE3 LYS A 76 0.927 1.704 9.347 1.00 63.04 H new ATOM 0 HZ1 LYS A 76 2.550 0.162 9.991 1.00 42.30 H new ATOM 0 HZ2 LYS A 76 3.048 0.721 8.467 1.00 42.30 H new ATOM 0 HZ3 LYS A 76 3.813 1.291 9.872 1.00 42.30 H new ATOM 1186 N THR A 77 0.741 7.888 5.807 1.00 1.10 N ATOM 1187 CA THR A 77 1.035 9.257 5.359 1.00 73.25 C ATOM 1188 C THR A 77 0.380 10.274 6.304 1.00 62.42 C ATOM 1189 O THR A 77 -0.168 9.905 7.344 1.00 53.42 O ATOM 1190 CB THR A 77 0.511 9.536 3.929 1.00 5.24 C ATOM 1191 OG1 THR A 77 -0.927 9.532 3.922 1.00 22.22 O ATOM 1192 CG2 THR A 77 1.034 8.510 2.926 1.00 71.34 C ATOM 0 H THR A 77 -0.221 7.755 6.118 1.00 1.10 H new ATOM 0 HA THR A 77 2.120 9.357 5.363 1.00 73.25 H new ATOM 0 HB THR A 77 0.877 10.518 3.628 1.00 5.24 H new ATOM 0 HG1 THR A 77 -1.250 9.522 2.997 1.00 22.22 H new ATOM 0 HG21 THR A 77 0.644 8.739 1.934 1.00 71.34 H new ATOM 0 HG22 THR A 77 2.123 8.544 2.905 1.00 71.34 H new ATOM 0 HG23 THR A 77 0.708 7.513 3.222 1.00 71.34 H new ATOM 1200 N GLU A 78 0.423 11.554 5.940 1.00 62.23 N ATOM 1201 CA GLU A 78 -0.272 12.593 6.711 1.00 43.45 C ATOM 1202 C GLU A 78 -1.786 12.590 6.417 1.00 63.11 C ATOM 1203 O GLU A 78 -2.536 13.419 6.940 1.00 14.23 O ATOM 1204 CB GLU A 78 0.342 13.972 6.416 1.00 33.32 C ATOM 1205 CG GLU A 78 0.278 14.390 4.949 1.00 14.33 C ATOM 1206 CD GLU A 78 1.092 15.645 4.664 1.00 23.43 C ATOM 1207 OE1 GLU A 78 0.589 16.763 4.917 1.00 22.23 O ATOM 1208 OE2 GLU A 78 2.246 15.521 4.200 1.00 44.03 O ATOM 0 H GLU A 78 0.927 11.899 5.123 1.00 62.23 H new ATOM 0 HA GLU A 78 -0.144 12.374 7.771 1.00 43.45 H new ATOM 0 HB2 GLU A 78 -0.172 14.721 7.017 1.00 33.32 H new ATOM 0 HB3 GLU A 78 1.384 13.968 6.735 1.00 33.32 H new ATOM 0 HG2 GLU A 78 0.644 13.574 4.326 1.00 14.33 H new ATOM 0 HG3 GLU A 78 -0.761 14.563 4.669 1.00 14.33 H new ATOM 1215 N PHE A 79 -2.229 11.650 5.577 1.00 34.53 N ATOM 1216 CA PHE A 79 -3.656 11.473 5.268 1.00 63.43 C ATOM 1217 C PHE A 79 -4.260 10.293 6.052 1.00 54.03 C ATOM 1218 O PHE A 79 -5.427 10.334 6.455 1.00 24.13 O ATOM 1219 CB PHE A 79 -3.846 11.248 3.761 1.00 10.33 C ATOM 1220 CG PHE A 79 -3.416 12.420 2.914 1.00 21.01 C ATOM 1221 CD1 PHE A 79 -2.091 12.567 2.521 1.00 65.12 C ATOM 1222 CD2 PHE A 79 -4.337 13.375 2.511 1.00 22.43 C ATOM 1223 CE1 PHE A 79 -1.697 13.646 1.751 1.00 51.22 C ATOM 1224 CE2 PHE A 79 -3.947 14.453 1.740 1.00 64.22 C ATOM 1225 CZ PHE A 79 -2.626 14.587 1.359 1.00 72.23 C ATOM 0 H PHE A 79 -1.616 10.993 5.094 1.00 34.53 H new ATOM 0 HA PHE A 79 -4.177 12.382 5.569 1.00 63.43 H new ATOM 0 HB2 PHE A 79 -3.280 10.366 3.460 1.00 10.33 H new ATOM 0 HB3 PHE A 79 -4.897 11.035 3.564 1.00 10.33 H new ATOM 0 HD1 PHE A 79 -1.361 11.830 2.820 1.00 65.12 H new ATOM 0 HD2 PHE A 79 -5.372 13.275 2.803 1.00 22.43 H new ATOM 0 HE1 PHE A 79 -0.663 13.752 1.457 1.00 51.22 H new ATOM 0 HE2 PHE A 79 -4.675 15.191 1.435 1.00 64.22 H new ATOM 0 HZ PHE A 79 -2.321 15.428 0.754 1.00 72.23 H new ATOM 1235 N GLY A 80 -3.464 9.240 6.255 1.00 61.22 N ATOM 1236 CA GLY A 80 -3.931 8.070 6.998 1.00 0.53 C ATOM 1237 C GLY A 80 -3.058 6.833 6.791 1.00 1.14 C ATOM 1238 O GLY A 80 -1.878 6.947 6.459 1.00 23.32 O ATOM 0 H GLY A 80 -2.503 9.174 5.919 1.00 61.22 H new ATOM 0 HA2 GLY A 80 -3.961 8.311 8.061 1.00 0.53 H new ATOM 0 HA3 GLY A 80 -4.952 7.840 6.695 1.00 0.53 H new ATOM 1242 N GLU A 81 -3.638 5.649 6.994 1.00 44.52 N ATOM 1243 CA GLU A 81 -2.909 4.381 6.829 1.00 64.44 C ATOM 1244 C GLU A 81 -3.781 3.292 6.178 1.00 51.52 C ATOM 1245 O GLU A 81 -5.012 3.376 6.191 1.00 52.23 O ATOM 1246 CB GLU A 81 -2.388 3.876 8.184 1.00 52.44 C ATOM 1247 CG GLU A 81 -3.467 3.744 9.262 1.00 41.11 C ATOM 1248 CD GLU A 81 -3.037 2.863 10.428 1.00 54.14 C ATOM 1249 OE1 GLU A 81 -1.910 3.037 10.935 1.00 41.15 O ATOM 1250 OE2 GLU A 81 -3.810 1.960 10.820 1.00 42.10 O ATOM 0 H GLU A 81 -4.612 5.537 7.274 1.00 44.52 H new ATOM 0 HA GLU A 81 -2.069 4.584 6.165 1.00 64.44 H new ATOM 0 HB2 GLU A 81 -1.914 2.905 8.039 1.00 52.44 H new ATOM 0 HB3 GLU A 81 -1.616 4.558 8.540 1.00 52.44 H new ATOM 0 HG2 GLU A 81 -3.722 4.735 9.637 1.00 41.11 H new ATOM 0 HG3 GLU A 81 -4.371 3.330 8.815 1.00 41.11 H new ATOM 1257 N VAL A 82 -3.123 2.268 5.619 1.00 44.30 N ATOM 1258 CA VAL A 82 -3.817 1.129 4.994 1.00 32.25 C ATOM 1259 C VAL A 82 -2.885 -0.097 4.871 1.00 53.22 C ATOM 1260 O VAL A 82 -1.666 0.049 4.753 1.00 41.41 O ATOM 1261 CB VAL A 82 -4.359 1.502 3.587 1.00 40.34 C ATOM 1262 CG1 VAL A 82 -3.213 1.802 2.621 1.00 54.31 C ATOM 1263 CG2 VAL A 82 -5.274 0.402 3.037 1.00 62.24 C ATOM 0 H VAL A 82 -2.106 2.203 5.586 1.00 44.30 H new ATOM 0 HA VAL A 82 -4.655 0.875 5.643 1.00 32.25 H new ATOM 0 HB VAL A 82 -4.956 2.408 3.688 1.00 40.34 H new ATOM 0 HG11 VAL A 82 -3.620 2.060 1.643 1.00 54.31 H new ATOM 0 HG12 VAL A 82 -2.625 2.637 3.002 1.00 54.31 H new ATOM 0 HG13 VAL A 82 -2.576 0.923 2.528 1.00 54.31 H new ATOM 0 HG21 VAL A 82 -5.638 0.691 2.051 1.00 62.24 H new ATOM 0 HG22 VAL A 82 -4.715 -0.531 2.958 1.00 62.24 H new ATOM 0 HG23 VAL A 82 -6.120 0.262 3.710 1.00 62.24 H new ATOM 1273 N VAL A 83 -3.464 -1.301 4.910 1.00 33.43 N ATOM 1274 CA VAL A 83 -2.693 -2.550 4.759 1.00 24.20 C ATOM 1275 C VAL A 83 -2.998 -3.237 3.414 1.00 52.14 C ATOM 1276 O VAL A 83 -4.156 -3.552 3.119 1.00 13.02 O ATOM 1277 CB VAL A 83 -2.997 -3.554 5.901 1.00 63.22 C ATOM 1278 CG1 VAL A 83 -2.082 -4.775 5.805 1.00 64.22 C ATOM 1279 CG2 VAL A 83 -2.871 -2.885 7.265 1.00 24.13 C ATOM 0 H VAL A 83 -4.465 -1.443 5.045 1.00 33.43 H new ATOM 0 HA VAL A 83 -1.641 -2.267 4.798 1.00 24.20 H new ATOM 0 HB VAL A 83 -4.027 -3.892 5.789 1.00 63.22 H new ATOM 0 HG11 VAL A 83 -2.312 -5.467 6.615 1.00 64.22 H new ATOM 0 HG12 VAL A 83 -2.239 -5.273 4.848 1.00 64.22 H new ATOM 0 HG13 VAL A 83 -1.042 -4.457 5.883 1.00 64.22 H new ATOM 0 HG21 VAL A 83 -3.089 -3.611 8.048 1.00 24.13 H new ATOM 0 HG22 VAL A 83 -1.856 -2.508 7.393 1.00 24.13 H new ATOM 0 HG23 VAL A 83 -3.577 -2.057 7.331 1.00 24.13 H new ATOM 1289 N VAL A 84 -1.955 -3.479 2.615 1.00 1.33 N ATOM 1290 CA VAL A 84 -2.096 -4.122 1.295 1.00 12.32 C ATOM 1291 C VAL A 84 -1.054 -5.243 1.094 1.00 40.21 C ATOM 1292 O VAL A 84 -0.153 -5.420 1.913 1.00 12.11 O ATOM 1293 CB VAL A 84 -1.952 -3.088 0.144 1.00 14.24 C ATOM 1294 CG1 VAL A 84 -3.069 -2.045 0.194 1.00 11.33 C ATOM 1295 CG2 VAL A 84 -0.578 -2.418 0.186 1.00 3.21 C ATOM 0 H VAL A 84 -0.994 -3.239 2.858 1.00 1.33 H new ATOM 0 HA VAL A 84 -3.095 -4.556 1.267 1.00 12.32 H new ATOM 0 HB VAL A 84 -2.041 -3.624 -0.801 1.00 14.24 H new ATOM 0 HG11 VAL A 84 -2.941 -1.336 -0.624 1.00 11.33 H new ATOM 0 HG12 VAL A 84 -4.035 -2.541 0.096 1.00 11.33 H new ATOM 0 HG13 VAL A 84 -3.029 -1.514 1.145 1.00 11.33 H new ATOM 0 HG21 VAL A 84 -0.499 -1.698 -0.629 1.00 3.21 H new ATOM 0 HG22 VAL A 84 -0.453 -1.903 1.139 1.00 3.21 H new ATOM 0 HG23 VAL A 84 0.199 -3.175 0.078 1.00 3.21 H new ATOM 1305 N PHE A 85 -1.186 -6.004 0.002 1.00 75.31 N ATOM 1306 CA PHE A 85 -0.224 -7.072 -0.321 1.00 12.10 C ATOM 1307 C PHE A 85 1.092 -6.505 -0.882 1.00 60.52 C ATOM 1308 O PHE A 85 1.097 -5.519 -1.627 1.00 42.10 O ATOM 1309 CB PHE A 85 -0.822 -8.067 -1.329 1.00 3.22 C ATOM 1310 CG PHE A 85 -1.931 -8.930 -0.773 1.00 12.43 C ATOM 1311 CD1 PHE A 85 -1.653 -9.920 0.162 1.00 62.11 C ATOM 1312 CD2 PHE A 85 -3.245 -8.763 -1.191 1.00 73.21 C ATOM 1313 CE1 PHE A 85 -2.661 -10.718 0.668 1.00 51.42 C ATOM 1314 CE2 PHE A 85 -4.255 -9.559 -0.685 1.00 11.10 C ATOM 1315 CZ PHE A 85 -3.963 -10.538 0.243 1.00 60.23 C ATOM 0 H PHE A 85 -1.945 -5.904 -0.672 1.00 75.31 H new ATOM 0 HA PHE A 85 -0.006 -7.592 0.612 1.00 12.10 H new ATOM 0 HB2 PHE A 85 -1.205 -7.512 -2.185 1.00 3.22 H new ATOM 0 HB3 PHE A 85 -0.026 -8.713 -1.699 1.00 3.22 H new ATOM 0 HD1 PHE A 85 -0.637 -10.067 0.497 1.00 62.11 H new ATOM 0 HD2 PHE A 85 -3.480 -8.002 -1.920 1.00 73.21 H new ATOM 0 HE1 PHE A 85 -2.431 -11.482 1.396 1.00 51.42 H new ATOM 0 HE2 PHE A 85 -5.273 -9.415 -1.016 1.00 11.10 H new ATOM 0 HZ PHE A 85 -4.751 -11.163 0.636 1.00 60.23 H new ATOM 1325 N ALA A 86 2.202 -7.145 -0.527 1.00 53.55 N ATOM 1326 CA ALA A 86 3.530 -6.714 -0.980 1.00 63.22 C ATOM 1327 C ALA A 86 3.887 -7.276 -2.368 1.00 34.12 C ATOM 1328 O ALA A 86 3.798 -8.485 -2.605 1.00 20.43 O ATOM 1329 CB ALA A 86 4.582 -7.137 0.039 1.00 62.25 C ATOM 0 H ALA A 86 2.213 -7.968 0.076 1.00 53.55 H new ATOM 0 HA ALA A 86 3.510 -5.628 -1.068 1.00 63.22 H new ATOM 0 HB1 ALA A 86 5.567 -6.816 -0.300 1.00 62.25 H new ATOM 0 HB2 ALA A 86 4.362 -6.676 1.002 1.00 62.25 H new ATOM 0 HB3 ALA A 86 4.571 -8.222 0.145 1.00 62.25 H new ATOM 1335 N LYS A 87 4.297 -6.392 -3.279 1.00 32.31 N ATOM 1336 CA LYS A 87 4.795 -6.802 -4.603 1.00 33.51 C ATOM 1337 C LYS A 87 6.130 -6.148 -4.935 1.00 54.34 C ATOM 1338 O LYS A 87 6.496 -5.114 -4.383 1.00 75.12 O ATOM 1339 CB LYS A 87 3.795 -6.464 -5.718 1.00 3.44 C ATOM 1340 CG LYS A 87 2.546 -7.327 -5.757 1.00 51.31 C ATOM 1341 CD LYS A 87 1.803 -7.129 -7.075 1.00 73.33 C ATOM 1342 CE LYS A 87 0.533 -7.950 -7.136 1.00 71.20 C ATOM 1343 NZ LYS A 87 -0.095 -7.900 -8.483 1.00 22.35 N ATOM 0 H LYS A 87 4.296 -5.383 -3.128 1.00 32.31 H new ATOM 0 HA LYS A 87 4.927 -7.883 -4.550 1.00 33.51 H new ATOM 0 HB2 LYS A 87 3.493 -5.422 -5.608 1.00 3.44 H new ATOM 0 HB3 LYS A 87 4.305 -6.549 -6.678 1.00 3.44 H new ATOM 0 HG2 LYS A 87 2.817 -8.376 -5.639 1.00 51.31 H new ATOM 0 HG3 LYS A 87 1.893 -7.071 -4.922 1.00 51.31 H new ATOM 0 HD2 LYS A 87 1.559 -6.074 -7.199 1.00 73.33 H new ATOM 0 HD3 LYS A 87 2.454 -7.406 -7.904 1.00 73.33 H new ATOM 0 HE2 LYS A 87 0.757 -8.985 -6.878 1.00 71.20 H new ATOM 0 HE3 LYS A 87 -0.173 -7.582 -6.392 1.00 71.20 H new ATOM 0 HZ1 LYS A 87 -0.962 -8.475 -8.483 1.00 22.35 H new ATOM 0 HZ2 LYS A 87 -0.332 -6.915 -8.719 1.00 22.35 H new ATOM 0 HZ3 LYS A 87 0.569 -8.275 -9.190 1.00 22.35 H new ATOM 1357 N LYS A 88 6.852 -6.772 -5.853 1.00 1.21 N ATOM 1358 CA LYS A 88 8.112 -6.246 -6.342 1.00 41.03 C ATOM 1359 C LYS A 88 7.897 -5.581 -7.713 1.00 73.22 C ATOM 1360 O LYS A 88 7.769 -6.265 -8.732 1.00 1.13 O ATOM 1361 CB LYS A 88 9.133 -7.380 -6.442 1.00 22.22 C ATOM 1362 CG LYS A 88 10.558 -6.880 -6.508 1.00 42.11 C ATOM 1363 CD LYS A 88 11.564 -8.008 -6.720 1.00 45.40 C ATOM 1364 CE LYS A 88 11.564 -9.007 -5.567 1.00 55.10 C ATOM 1365 NZ LYS A 88 12.539 -10.104 -5.798 1.00 45.34 N ATOM 0 H LYS A 88 6.579 -7.658 -6.279 1.00 1.21 H new ATOM 0 HA LYS A 88 8.493 -5.495 -5.650 1.00 41.03 H new ATOM 0 HB2 LYS A 88 9.023 -8.039 -5.581 1.00 22.22 H new ATOM 0 HB3 LYS A 88 8.921 -7.977 -7.329 1.00 22.22 H new ATOM 0 HG2 LYS A 88 10.649 -6.159 -7.320 1.00 42.11 H new ATOM 0 HG3 LYS A 88 10.798 -6.353 -5.585 1.00 42.11 H new ATOM 0 HD2 LYS A 88 11.332 -8.529 -7.649 1.00 45.40 H new ATOM 0 HD3 LYS A 88 12.562 -7.585 -6.832 1.00 45.40 H new ATOM 0 HE2 LYS A 88 11.807 -8.492 -4.638 1.00 55.10 H new ATOM 0 HE3 LYS A 88 10.565 -9.426 -5.447 1.00 55.10 H new ATOM 0 HZ1 LYS A 88 12.689 -10.627 -4.912 1.00 45.34 H new ATOM 0 HZ2 LYS A 88 12.168 -10.751 -6.523 1.00 45.34 H new ATOM 0 HZ3 LYS A 88 13.443 -9.703 -6.121 1.00 45.34 H new ATOM 1379 N GLY A 89 7.845 -4.251 -7.730 1.00 14.53 N ATOM 1380 CA GLY A 89 7.452 -3.529 -8.938 1.00 32.23 C ATOM 1381 C GLY A 89 8.615 -2.968 -9.748 1.00 43.41 C ATOM 1382 O GLY A 89 9.779 -3.313 -9.525 1.00 71.50 O ATOM 0 H GLY A 89 8.067 -3.657 -6.931 1.00 14.53 H new ATOM 0 HA2 GLY A 89 6.873 -4.199 -9.574 1.00 32.23 H new ATOM 0 HA3 GLY A 89 6.793 -2.708 -8.657 1.00 32.23 H new ATOM 1386 N ASP A 90 8.289 -2.092 -10.696 1.00 0.30 N ATOM 1387 CA ASP A 90 9.277 -1.497 -11.604 1.00 21.25 C ATOM 1388 C ASP A 90 9.722 -0.102 -11.121 1.00 40.23 C ATOM 1389 O ASP A 90 10.424 0.618 -11.830 1.00 14.31 O ATOM 1390 CB ASP A 90 8.667 -1.393 -13.005 1.00 73.54 C ATOM 1391 CG ASP A 90 8.002 -2.689 -13.437 1.00 44.33 C ATOM 1392 OD1 ASP A 90 8.693 -3.571 -13.982 1.00 71.41 O ATOM 1393 OD2 ASP A 90 6.778 -2.839 -13.229 1.00 12.13 O ATOM 0 H ASP A 90 7.334 -1.772 -10.859 1.00 0.30 H new ATOM 0 HA ASP A 90 10.159 -2.137 -11.623 1.00 21.25 H new ATOM 0 HB2 ASP A 90 7.934 -0.587 -13.022 1.00 73.54 H new ATOM 0 HB3 ASP A 90 9.446 -1.130 -13.720 1.00 73.54 H new ATOM 1398 N VAL A 91 9.319 0.257 -9.908 1.00 21.35 N ATOM 1399 CA VAL A 91 9.598 1.583 -9.340 1.00 70.22 C ATOM 1400 C VAL A 91 11.036 1.680 -8.792 1.00 31.12 C ATOM 1401 O VAL A 91 11.672 0.659 -8.525 1.00 64.23 O ATOM 1402 CB VAL A 91 8.591 1.905 -8.205 1.00 1.33 C ATOM 1403 CG1 VAL A 91 7.162 1.953 -8.745 1.00 12.44 C ATOM 1404 CG2 VAL A 91 8.707 0.879 -7.079 1.00 33.23 C ATOM 0 H VAL A 91 8.791 -0.356 -9.287 1.00 21.35 H new ATOM 0 HA VAL A 91 9.491 2.310 -10.145 1.00 70.22 H new ATOM 0 HB VAL A 91 8.834 2.888 -7.802 1.00 1.33 H new ATOM 0 HG11 VAL A 91 6.473 2.180 -7.931 1.00 12.44 H new ATOM 0 HG12 VAL A 91 7.088 2.726 -9.510 1.00 12.44 H new ATOM 0 HG13 VAL A 91 6.904 0.987 -9.179 1.00 12.44 H new ATOM 0 HG21 VAL A 91 7.993 1.121 -6.292 1.00 33.23 H new ATOM 0 HG22 VAL A 91 8.493 -0.116 -7.470 1.00 33.23 H new ATOM 0 HG23 VAL A 91 9.718 0.899 -6.671 1.00 33.23 H new ATOM 1414 N PRO A 92 11.583 2.907 -8.650 1.00 1.20 N ATOM 1415 CA PRO A 92 12.903 3.121 -8.026 1.00 62.35 C ATOM 1416 C PRO A 92 12.863 2.986 -6.492 1.00 62.42 C ATOM 1417 O PRO A 92 11.789 2.918 -5.891 1.00 62.22 O ATOM 1418 CB PRO A 92 13.249 4.557 -8.443 1.00 41.23 C ATOM 1419 CG PRO A 92 11.927 5.231 -8.592 1.00 55.33 C ATOM 1420 CD PRO A 92 10.977 4.177 -9.108 1.00 63.43 C ATOM 0 HA PRO A 92 13.636 2.380 -8.344 1.00 62.35 H new ATOM 0 HB2 PRO A 92 13.864 5.051 -7.691 1.00 41.23 H new ATOM 0 HB3 PRO A 92 13.811 4.575 -9.377 1.00 41.23 H new ATOM 0 HG2 PRO A 92 11.584 5.632 -7.638 1.00 55.33 H new ATOM 0 HG3 PRO A 92 11.993 6.070 -9.285 1.00 55.33 H new ATOM 0 HD2 PRO A 92 9.973 4.310 -8.705 1.00 63.43 H new ATOM 0 HD3 PRO A 92 10.892 4.212 -10.194 1.00 63.43 H new ATOM 1428 N LYS A 93 14.035 2.950 -5.859 1.00 34.41 N ATOM 1429 CA LYS A 93 14.114 2.776 -4.404 1.00 44.22 C ATOM 1430 C LYS A 93 13.517 3.980 -3.657 1.00 74.34 C ATOM 1431 O LYS A 93 13.594 5.121 -4.132 1.00 2.23 O ATOM 1432 CB LYS A 93 15.562 2.555 -3.950 1.00 31.31 C ATOM 1433 CG LYS A 93 15.656 2.055 -2.515 1.00 3.31 C ATOM 1434 CD LYS A 93 17.084 2.021 -1.996 1.00 62.32 C ATOM 1435 CE LYS A 93 17.166 1.311 -0.649 1.00 74.54 C ATOM 1436 NZ LYS A 93 16.229 1.878 0.358 1.00 45.30 N ATOM 0 H LYS A 93 14.938 3.038 -6.324 1.00 34.41 H new ATOM 0 HA LYS A 93 13.527 1.891 -4.159 1.00 44.22 H new ATOM 0 HB2 LYS A 93 16.041 1.835 -4.614 1.00 31.31 H new ATOM 0 HB3 LYS A 93 16.114 3.490 -4.042 1.00 31.31 H new ATOM 0 HG2 LYS A 93 15.055 2.697 -1.871 1.00 3.31 H new ATOM 0 HG3 LYS A 93 15.228 1.054 -2.455 1.00 3.31 H new ATOM 0 HD2 LYS A 93 17.724 1.512 -2.717 1.00 62.32 H new ATOM 0 HD3 LYS A 93 17.462 3.039 -1.897 1.00 62.32 H new ATOM 0 HE2 LYS A 93 16.947 0.252 -0.787 1.00 74.54 H new ATOM 0 HE3 LYS A 93 18.185 1.379 -0.269 1.00 74.54 H new ATOM 0 HZ1 LYS A 93 16.442 1.478 1.294 1.00 45.30 H new ATOM 0 HZ2 LYS A 93 16.338 2.912 0.390 1.00 45.30 H new ATOM 0 HZ3 LYS A 93 15.251 1.641 0.095 1.00 45.30 H new ATOM 1450 N GLY A 94 12.947 3.724 -2.479 1.00 32.33 N ATOM 1451 CA GLY A 94 12.271 4.771 -1.722 1.00 60.15 C ATOM 1452 C GLY A 94 11.016 5.290 -2.420 1.00 44.15 C ATOM 1453 O GLY A 94 10.643 6.456 -2.270 1.00 61.34 O ATOM 0 H GLY A 94 12.941 2.807 -2.033 1.00 32.33 H new ATOM 0 HA2 GLY A 94 12.001 4.385 -0.739 1.00 60.15 H new ATOM 0 HA3 GLY A 94 12.961 5.600 -1.561 1.00 60.15 H new ATOM 1457 N MET A 95 10.361 4.421 -3.182 1.00 22.12 N ATOM 1458 CA MET A 95 9.175 4.795 -3.943 1.00 12.21 C ATOM 1459 C MET A 95 8.278 3.564 -4.175 1.00 45.21 C ATOM 1460 O MET A 95 8.773 2.483 -4.483 1.00 41.24 O ATOM 1461 CB MET A 95 9.629 5.403 -5.278 1.00 40.32 C ATOM 1462 CG MET A 95 8.601 6.294 -5.937 1.00 60.14 C ATOM 1463 SD MET A 95 9.259 7.124 -7.400 1.00 70.13 S ATOM 1464 CE MET A 95 7.975 8.325 -7.724 1.00 4.40 C ATOM 0 H MET A 95 10.635 3.444 -3.289 1.00 22.12 H new ATOM 0 HA MET A 95 8.589 5.528 -3.389 1.00 12.21 H new ATOM 0 HB2 MET A 95 10.539 5.980 -5.111 1.00 40.32 H new ATOM 0 HB3 MET A 95 9.885 4.595 -5.963 1.00 40.32 H new ATOM 0 HG2 MET A 95 7.733 5.698 -6.219 1.00 60.14 H new ATOM 0 HG3 MET A 95 8.257 7.041 -5.221 1.00 60.14 H new ATOM 0 HE1 MET A 95 7.373 7.995 -8.570 1.00 4.40 H new ATOM 0 HE2 MET A 95 7.340 8.425 -6.844 1.00 4.40 H new ATOM 0 HE3 MET A 95 8.428 9.289 -7.956 1.00 4.40 H new ATOM 1474 N ILE A 96 6.962 3.719 -4.013 1.00 52.32 N ATOM 1475 CA ILE A 96 6.028 2.598 -4.210 1.00 53.04 C ATOM 1476 C ILE A 96 4.803 3.008 -5.044 1.00 32.43 C ATOM 1477 O ILE A 96 4.242 4.094 -4.874 1.00 33.12 O ATOM 1478 CB ILE A 96 5.544 1.989 -2.864 1.00 73.40 C ATOM 1479 CG1 ILE A 96 4.802 3.038 -2.015 1.00 11.01 C ATOM 1480 CG2 ILE A 96 6.720 1.393 -2.087 1.00 4.24 C ATOM 1481 CD1 ILE A 96 4.218 2.482 -0.733 1.00 53.30 C ATOM 0 H ILE A 96 6.518 4.599 -3.749 1.00 52.32 H new ATOM 0 HA ILE A 96 6.592 1.840 -4.754 1.00 53.04 H new ATOM 0 HB ILE A 96 4.842 1.187 -3.091 1.00 73.40 H new ATOM 0 HG12 ILE A 96 5.491 3.847 -1.769 1.00 11.01 H new ATOM 0 HG13 ILE A 96 3.999 3.473 -2.611 1.00 11.01 H new ATOM 0 HG21 ILE A 96 6.360 0.972 -1.148 1.00 4.24 H new ATOM 0 HG22 ILE A 96 7.188 0.608 -2.681 1.00 4.24 H new ATOM 0 HG23 ILE A 96 7.451 2.174 -1.878 1.00 4.24 H new ATOM 0 HD11 ILE A 96 3.711 3.279 -0.189 1.00 53.30 H new ATOM 0 HD12 ILE A 96 3.504 1.693 -0.970 1.00 53.30 H new ATOM 0 HD13 ILE A 96 5.018 2.073 -0.116 1.00 53.30 H new ATOM 1493 N PHE A 97 4.398 2.123 -5.946 1.00 33.22 N ATOM 1494 CA PHE A 97 3.238 2.357 -6.810 1.00 22.24 C ATOM 1495 C PHE A 97 2.003 1.596 -6.300 1.00 53.33 C ATOM 1496 O PHE A 97 2.040 0.376 -6.143 1.00 55.12 O ATOM 1497 CB PHE A 97 3.566 1.918 -8.247 1.00 53.43 C ATOM 1498 CG PHE A 97 2.412 2.048 -9.214 1.00 24.12 C ATOM 1499 CD1 PHE A 97 2.192 3.233 -9.901 1.00 33.41 C ATOM 1500 CD2 PHE A 97 1.549 0.979 -9.438 1.00 74.54 C ATOM 1501 CE1 PHE A 97 1.139 3.348 -10.788 1.00 31.43 C ATOM 1502 CE2 PHE A 97 0.494 1.092 -10.324 1.00 22.40 C ATOM 1503 CZ PHE A 97 0.290 2.277 -11.000 1.00 70.13 C ATOM 0 H PHE A 97 4.858 1.226 -6.102 1.00 33.22 H new ATOM 0 HA PHE A 97 3.009 3.423 -6.795 1.00 22.24 H new ATOM 0 HB2 PHE A 97 4.402 2.513 -8.615 1.00 53.43 H new ATOM 0 HB3 PHE A 97 3.897 0.879 -8.231 1.00 53.43 H new ATOM 0 HD1 PHE A 97 2.850 4.074 -9.741 1.00 33.41 H new ATOM 0 HD2 PHE A 97 1.706 0.049 -8.912 1.00 74.54 H new ATOM 0 HE1 PHE A 97 0.979 4.276 -11.317 1.00 31.43 H new ATOM 0 HE2 PHE A 97 -0.169 0.255 -10.487 1.00 22.40 H new ATOM 0 HZ PHE A 97 -0.532 2.368 -11.694 1.00 70.13 H new ATOM 1513 N ILE A 98 0.913 2.312 -6.043 1.00 51.51 N ATOM 1514 CA ILE A 98 -0.350 1.679 -5.641 1.00 72.33 C ATOM 1515 C ILE A 98 -1.478 2.026 -6.632 1.00 41.22 C ATOM 1516 O ILE A 98 -1.698 3.196 -6.948 1.00 40.15 O ATOM 1517 CB ILE A 98 -0.771 2.101 -4.204 1.00 10.41 C ATOM 1518 CG1 ILE A 98 0.342 1.756 -3.199 1.00 61.44 C ATOM 1519 CG2 ILE A 98 -2.088 1.428 -3.801 1.00 61.34 C ATOM 1520 CD1 ILE A 98 -0.019 2.038 -1.754 1.00 73.31 C ATOM 0 H ILE A 98 0.873 3.329 -6.104 1.00 51.51 H new ATOM 0 HA ILE A 98 -0.184 0.602 -5.649 1.00 72.33 H new ATOM 0 HB ILE A 98 -0.927 3.180 -4.195 1.00 10.41 H new ATOM 0 HG12 ILE A 98 0.593 0.700 -3.300 1.00 61.44 H new ATOM 0 HG13 ILE A 98 1.237 2.323 -3.456 1.00 61.44 H new ATOM 0 HG21 ILE A 98 -2.362 1.739 -2.793 1.00 61.34 H new ATOM 0 HG22 ILE A 98 -2.874 1.721 -4.497 1.00 61.34 H new ATOM 0 HG23 ILE A 98 -1.966 0.345 -3.827 1.00 61.34 H new ATOM 0 HD11 ILE A 98 0.818 1.768 -1.110 1.00 73.31 H new ATOM 0 HD12 ILE A 98 -0.241 3.099 -1.635 1.00 73.31 H new ATOM 0 HD13 ILE A 98 -0.894 1.451 -1.476 1.00 73.31 H new ATOM 1532 N PRO A 99 -2.189 1.010 -7.161 1.00 4.34 N ATOM 1533 CA PRO A 99 -3.326 1.230 -8.070 1.00 33.32 C ATOM 1534 C PRO A 99 -4.427 2.109 -7.444 1.00 74.34 C ATOM 1535 O PRO A 99 -4.717 2.013 -6.248 1.00 70.41 O ATOM 1536 CB PRO A 99 -3.848 -0.191 -8.360 1.00 54.13 C ATOM 1537 CG PRO A 99 -3.244 -1.059 -7.306 1.00 32.42 C ATOM 1538 CD PRO A 99 -1.934 -0.422 -6.938 1.00 44.34 C ATOM 0 HA PRO A 99 -3.024 1.769 -8.968 1.00 33.32 H new ATOM 0 HB2 PRO A 99 -4.937 -0.225 -8.320 1.00 54.13 H new ATOM 0 HB3 PRO A 99 -3.555 -0.521 -9.356 1.00 54.13 H new ATOM 0 HG2 PRO A 99 -3.899 -1.131 -6.438 1.00 32.42 H new ATOM 0 HG3 PRO A 99 -3.093 -2.073 -7.676 1.00 32.42 H new ATOM 0 HD2 PRO A 99 -1.662 -0.627 -5.903 1.00 44.34 H new ATOM 0 HD3 PRO A 99 -1.118 -0.789 -7.561 1.00 44.34 H new ATOM 1546 N MET A 100 -5.032 2.969 -8.263 1.00 11.03 N ATOM 1547 CA MET A 100 -6.050 3.914 -7.794 1.00 15.21 C ATOM 1548 C MET A 100 -7.263 3.173 -7.204 1.00 71.03 C ATOM 1549 O MET A 100 -8.092 2.625 -7.938 1.00 50.14 O ATOM 1550 CB MET A 100 -6.496 4.823 -8.952 1.00 75.20 C ATOM 1551 CG MET A 100 -7.072 6.177 -8.531 1.00 13.24 C ATOM 1552 SD MET A 100 -8.379 6.063 -7.292 1.00 1.35 S ATOM 1553 CE MET A 100 -7.465 6.364 -5.778 1.00 41.44 C ATOM 0 H MET A 100 -4.834 3.032 -9.262 1.00 11.03 H new ATOM 0 HA MET A 100 -5.611 4.526 -7.006 1.00 15.21 H new ATOM 0 HB2 MET A 100 -5.642 4.997 -9.606 1.00 75.20 H new ATOM 0 HB3 MET A 100 -7.246 4.294 -9.540 1.00 75.20 H new ATOM 0 HG2 MET A 100 -6.266 6.797 -8.139 1.00 13.24 H new ATOM 0 HG3 MET A 100 -7.464 6.684 -9.413 1.00 13.24 H new ATOM 0 HE1 MET A 100 -8.131 6.253 -4.923 1.00 41.44 H new ATOM 0 HE2 MET A 100 -6.649 5.646 -5.697 1.00 41.44 H new ATOM 0 HE3 MET A 100 -7.059 7.375 -5.793 1.00 41.44 H new ATOM 1563 N GLY A 101 -7.348 3.149 -5.876 1.00 24.15 N ATOM 1564 CA GLY A 101 -8.462 2.481 -5.208 1.00 2.53 C ATOM 1565 C GLY A 101 -8.689 2.998 -3.794 1.00 3.11 C ATOM 1566 O GLY A 101 -7.967 3.887 -3.344 1.00 42.12 O ATOM 0 H GLY A 101 -6.668 3.578 -5.248 1.00 24.15 H new ATOM 0 HA2 GLY A 101 -9.370 2.623 -5.793 1.00 2.53 H new ATOM 0 HA3 GLY A 101 -8.270 1.409 -5.173 1.00 2.53 H new ATOM 1570 N PRO A 102 -9.671 2.444 -3.051 1.00 25.12 N ATOM 1571 CA PRO A 102 -9.975 2.894 -1.679 1.00 22.03 C ATOM 1572 C PRO A 102 -8.773 2.712 -0.743 1.00 60.21 C ATOM 1573 O PRO A 102 -8.565 3.490 0.184 1.00 33.04 O ATOM 1574 CB PRO A 102 -11.158 2.005 -1.253 1.00 2.41 C ATOM 1575 CG PRO A 102 -11.112 0.828 -2.172 1.00 2.25 C ATOM 1576 CD PRO A 102 -10.546 1.336 -3.473 1.00 11.11 C ATOM 0 HA PRO A 102 -10.210 3.957 -1.633 1.00 22.03 H new ATOM 0 HB2 PRO A 102 -11.064 1.696 -0.212 1.00 2.41 H new ATOM 0 HB3 PRO A 102 -12.104 2.538 -1.343 1.00 2.41 H new ATOM 0 HG2 PRO A 102 -10.489 0.035 -1.759 1.00 2.25 H new ATOM 0 HG3 PRO A 102 -12.107 0.408 -2.317 1.00 2.25 H new ATOM 0 HD2 PRO A 102 -9.989 0.561 -3.999 1.00 11.11 H new ATOM 0 HD3 PRO A 102 -11.331 1.678 -4.147 1.00 11.11 H new ATOM 1584 N TYR A 103 -7.974 1.684 -1.025 1.00 44.03 N ATOM 1585 CA TYR A 103 -6.736 1.420 -0.287 1.00 51.33 C ATOM 1586 C TYR A 103 -5.754 2.582 -0.463 1.00 71.51 C ATOM 1587 O TYR A 103 -5.267 3.156 0.510 1.00 53.14 O ATOM 1588 CB TYR A 103 -6.099 0.110 -0.777 1.00 1.30 C ATOM 1589 CG TYR A 103 -6.995 -1.105 -0.611 1.00 0.15 C ATOM 1590 CD1 TYR A 103 -8.187 -1.208 -1.320 1.00 1.20 C ATOM 1591 CD2 TYR A 103 -6.661 -2.139 0.259 1.00 53.02 C ATOM 1592 CE1 TYR A 103 -9.015 -2.299 -1.172 1.00 74.14 C ATOM 1593 CE2 TYR A 103 -7.485 -3.236 0.408 1.00 45.31 C ATOM 1594 CZ TYR A 103 -8.663 -3.308 -0.310 1.00 43.21 C ATOM 1595 OH TYR A 103 -9.486 -4.400 -0.173 1.00 15.03 O ATOM 0 H TYR A 103 -8.164 1.012 -1.768 1.00 44.03 H new ATOM 0 HA TYR A 103 -6.974 1.322 0.772 1.00 51.33 H new ATOM 0 HB2 TYR A 103 -5.837 0.216 -1.830 1.00 1.30 H new ATOM 0 HB3 TYR A 103 -5.170 -0.058 -0.232 1.00 1.30 H new ATOM 0 HD1 TYR A 103 -8.469 -0.417 -2.000 1.00 1.20 H new ATOM 0 HD2 TYR A 103 -5.743 -2.082 0.826 1.00 53.02 H new ATOM 0 HE1 TYR A 103 -9.937 -2.360 -1.731 1.00 74.14 H new ATOM 0 HE2 TYR A 103 -7.210 -4.034 1.082 1.00 45.31 H new ATOM 0 HH TYR A 103 -9.285 -4.857 0.670 1.00 15.03 H new ATOM 1605 N ALA A 104 -5.482 2.933 -1.719 1.00 21.43 N ATOM 1606 CA ALA A 104 -4.654 4.096 -2.031 1.00 50.53 C ATOM 1607 C ALA A 104 -5.259 5.371 -1.430 1.00 14.02 C ATOM 1608 O ALA A 104 -4.559 6.180 -0.838 1.00 31.12 O ATOM 1609 CB ALA A 104 -4.494 4.240 -3.541 1.00 43.13 C ATOM 0 H ALA A 104 -5.823 2.428 -2.537 1.00 21.43 H new ATOM 0 HA ALA A 104 -3.669 3.947 -1.588 1.00 50.53 H new ATOM 0 HB1 ALA A 104 -3.875 5.110 -3.760 1.00 43.13 H new ATOM 0 HB2 ALA A 104 -4.018 3.346 -3.943 1.00 43.13 H new ATOM 0 HB3 ALA A 104 -5.474 4.367 -4.000 1.00 43.13 H new ATOM 1615 N ASN A 105 -6.575 5.515 -1.566 1.00 72.11 N ATOM 1616 CA ASN A 105 -7.311 6.680 -1.052 1.00 34.51 C ATOM 1617 C ASN A 105 -7.053 6.916 0.453 1.00 55.14 C ATOM 1618 O ASN A 105 -7.143 8.046 0.935 1.00 54.44 O ATOM 1619 CB ASN A 105 -8.811 6.482 -1.326 1.00 62.35 C ATOM 1620 CG ASN A 105 -9.690 7.489 -0.611 1.00 54.31 C ATOM 1621 OD1 ASN A 105 -9.961 8.572 -1.117 1.00 2.15 O ATOM 1622 ND2 ASN A 105 -10.163 7.129 0.564 1.00 40.24 N ATOM 0 H ASN A 105 -7.167 4.830 -2.035 1.00 72.11 H new ATOM 0 HA ASN A 105 -6.954 7.570 -1.569 1.00 34.51 H new ATOM 0 HB2 ASN A 105 -8.989 6.552 -2.399 1.00 62.35 H new ATOM 0 HB3 ASN A 105 -9.099 5.476 -1.020 1.00 62.35 H new ATOM 0 HD21 ASN A 105 -10.775 7.759 1.082 1.00 40.24 H new ATOM 0 HD22 ASN A 105 -9.917 6.220 0.956 1.00 40.24 H new ATOM 1629 N MET A 106 -6.714 5.853 1.182 1.00 63.12 N ATOM 1630 CA MET A 106 -6.432 5.950 2.624 1.00 45.34 C ATOM 1631 C MET A 106 -5.161 6.768 2.914 1.00 33.35 C ATOM 1632 O MET A 106 -4.989 7.285 4.020 1.00 62.04 O ATOM 1633 CB MET A 106 -6.273 4.545 3.222 1.00 32.54 C ATOM 1634 CG MET A 106 -7.501 3.662 3.057 1.00 44.11 C ATOM 1635 SD MET A 106 -8.867 4.154 4.122 1.00 20.21 S ATOM 1636 CE MET A 106 -8.329 3.482 5.694 1.00 54.31 C ATOM 0 H MET A 106 -6.626 4.911 0.802 1.00 63.12 H new ATOM 0 HA MET A 106 -7.276 6.464 3.083 1.00 45.34 H new ATOM 0 HB2 MET A 106 -5.420 4.055 2.752 1.00 32.54 H new ATOM 0 HB3 MET A 106 -6.043 4.637 4.284 1.00 32.54 H new ATOM 0 HG2 MET A 106 -7.828 3.694 2.018 1.00 44.11 H new ATOM 0 HG3 MET A 106 -7.231 2.629 3.275 1.00 44.11 H new ATOM 0 HE1 MET A 106 -9.149 3.530 6.410 1.00 54.31 H new ATOM 0 HE2 MET A 106 -8.024 2.444 5.561 1.00 54.31 H new ATOM 0 HE3 MET A 106 -7.486 4.062 6.068 1.00 54.31 H new ATOM 1646 N VAL A 107 -4.277 6.889 1.918 1.00 3.21 N ATOM 1647 CA VAL A 107 -2.959 7.511 2.121 1.00 35.01 C ATOM 1648 C VAL A 107 -2.617 8.558 1.040 1.00 5.44 C ATOM 1649 O VAL A 107 -1.861 9.498 1.294 1.00 64.34 O ATOM 1650 CB VAL A 107 -1.834 6.439 2.157 1.00 14.23 C ATOM 1651 CG1 VAL A 107 -2.000 5.515 3.364 1.00 64.44 C ATOM 1652 CG2 VAL A 107 -1.807 5.631 0.859 1.00 3.43 C ATOM 0 H VAL A 107 -4.447 6.566 0.965 1.00 3.21 H new ATOM 0 HA VAL A 107 -3.018 8.022 3.082 1.00 35.01 H new ATOM 0 HB VAL A 107 -0.880 6.958 2.254 1.00 14.23 H new ATOM 0 HG11 VAL A 107 -1.201 4.774 3.367 1.00 64.44 H new ATOM 0 HG12 VAL A 107 -1.954 6.102 4.281 1.00 64.44 H new ATOM 0 HG13 VAL A 107 -2.964 5.009 3.305 1.00 64.44 H new ATOM 0 HG21 VAL A 107 -1.011 4.888 0.910 1.00 3.43 H new ATOM 0 HG22 VAL A 107 -2.765 5.129 0.723 1.00 3.43 H new ATOM 0 HG23 VAL A 107 -1.626 6.300 0.018 1.00 3.43 H new ATOM 1662 N ILE A 108 -3.173 8.400 -0.157 1.00 12.11 N ATOM 1663 CA ILE A 108 -2.859 9.298 -1.276 1.00 31.40 C ATOM 1664 C ILE A 108 -3.774 10.542 -1.271 1.00 31.10 C ATOM 1665 O ILE A 108 -4.751 10.609 -0.523 1.00 64.30 O ATOM 1666 CB ILE A 108 -2.961 8.560 -2.652 1.00 33.32 C ATOM 1667 CG1 ILE A 108 -4.424 8.342 -3.084 1.00 4.25 C ATOM 1668 CG2 ILE A 108 -2.225 7.223 -2.613 1.00 23.44 C ATOM 1669 CD1 ILE A 108 -4.928 9.389 -4.046 1.00 64.33 C ATOM 0 H ILE A 108 -3.841 7.663 -0.382 1.00 12.11 H new ATOM 0 HA ILE A 108 -1.828 9.626 -1.141 1.00 31.40 H new ATOM 0 HB ILE A 108 -2.485 9.205 -3.391 1.00 33.32 H new ATOM 0 HG12 ILE A 108 -4.515 7.360 -3.547 1.00 4.25 H new ATOM 0 HG13 ILE A 108 -5.059 8.337 -2.198 1.00 4.25 H new ATOM 0 HG21 ILE A 108 -2.312 6.731 -3.582 1.00 23.44 H new ATOM 0 HG22 ILE A 108 -1.173 7.393 -2.386 1.00 23.44 H new ATOM 0 HG23 ILE A 108 -2.664 6.588 -1.843 1.00 23.44 H new ATOM 0 HD11 ILE A 108 -5.964 9.174 -4.308 1.00 64.33 H new ATOM 0 HD12 ILE A 108 -4.869 10.372 -3.578 1.00 64.33 H new ATOM 0 HD13 ILE A 108 -4.316 9.379 -4.948 1.00 64.33 H new ATOM 1681 N ASP A 109 -3.448 11.519 -2.113 1.00 34.11 N ATOM 1682 CA ASP A 109 -4.236 12.757 -2.221 1.00 23.14 C ATOM 1683 C ASP A 109 -5.184 12.709 -3.439 1.00 21.44 C ATOM 1684 O ASP A 109 -4.733 12.636 -4.582 1.00 42.00 O ATOM 1685 CB ASP A 109 -3.292 13.968 -2.315 1.00 70.42 C ATOM 1686 CG ASP A 109 -4.019 15.274 -2.599 1.00 13.34 C ATOM 1687 OD1 ASP A 109 -5.068 15.534 -1.976 1.00 54.43 O ATOM 1688 OD2 ASP A 109 -3.547 16.040 -3.462 1.00 43.50 O ATOM 0 H ASP A 109 -2.641 11.483 -2.736 1.00 34.11 H new ATOM 0 HA ASP A 109 -4.852 12.855 -1.327 1.00 23.14 H new ATOM 0 HB2 ASP A 109 -2.739 14.063 -1.380 1.00 70.42 H new ATOM 0 HB3 ASP A 109 -2.559 13.789 -3.102 1.00 70.42 H new ATOM 1693 N PRO A 110 -6.517 12.756 -3.213 1.00 63.34 N ATOM 1694 CA PRO A 110 -7.520 12.634 -4.297 1.00 4.24 C ATOM 1695 C PRO A 110 -7.507 13.813 -5.291 1.00 63.31 C ATOM 1696 O PRO A 110 -8.236 13.811 -6.288 1.00 44.20 O ATOM 1697 CB PRO A 110 -8.854 12.578 -3.536 1.00 42.42 C ATOM 1698 CG PRO A 110 -8.580 13.266 -2.240 1.00 61.44 C ATOM 1699 CD PRO A 110 -7.154 12.930 -1.892 1.00 34.05 C ATOM 0 HA PRO A 110 -7.324 11.763 -4.923 1.00 4.24 H new ATOM 0 HB2 PRO A 110 -9.647 13.079 -4.090 1.00 42.42 H new ATOM 0 HB3 PRO A 110 -9.177 11.549 -3.378 1.00 42.42 H new ATOM 0 HG2 PRO A 110 -8.717 14.343 -2.332 1.00 61.44 H new ATOM 0 HG3 PRO A 110 -9.263 12.923 -1.463 1.00 61.44 H new ATOM 0 HD2 PRO A 110 -6.681 13.727 -1.319 1.00 34.05 H new ATOM 0 HD3 PRO A 110 -7.089 12.023 -1.291 1.00 34.05 H new ATOM 1707 N SER A 111 -6.661 14.807 -5.033 1.00 62.40 N ATOM 1708 CA SER A 111 -6.539 15.989 -5.904 1.00 43.45 C ATOM 1709 C SER A 111 -5.712 15.692 -7.166 1.00 64.03 C ATOM 1710 O SER A 111 -5.158 16.602 -7.789 1.00 55.54 O ATOM 1711 CB SER A 111 -5.879 17.130 -5.131 1.00 55.03 C ATOM 1712 OG SER A 111 -6.546 17.377 -3.897 1.00 35.52 O ATOM 0 H SER A 111 -6.042 14.823 -4.222 1.00 62.40 H new ATOM 0 HA SER A 111 -7.544 16.271 -6.217 1.00 43.45 H new ATOM 0 HB2 SER A 111 -4.835 16.885 -4.939 1.00 55.03 H new ATOM 0 HB3 SER A 111 -5.887 18.035 -5.738 1.00 55.03 H new ATOM 0 HG SER A 111 -6.136 16.837 -3.190 1.00 35.52 H new ATOM 1718 N THR A 112 -5.640 14.419 -7.539 1.00 4.40 N ATOM 1719 CA THR A 112 -4.877 13.984 -8.715 1.00 43.31 C ATOM 1720 C THR A 112 -5.405 14.617 -10.011 1.00 43.14 C ATOM 1721 O THR A 112 -6.603 14.872 -10.150 1.00 73.02 O ATOM 1722 CB THR A 112 -4.903 12.446 -8.845 1.00 43.21 C ATOM 1723 OG1 THR A 112 -6.253 11.981 -9.037 1.00 44.31 O ATOM 1724 CG2 THR A 112 -4.312 11.800 -7.595 1.00 50.52 C ATOM 0 H THR A 112 -6.104 13.659 -7.041 1.00 4.40 H new ATOM 0 HA THR A 112 -3.851 14.320 -8.567 1.00 43.31 H new ATOM 0 HB THR A 112 -4.304 12.165 -9.711 1.00 43.21 H new ATOM 0 HG1 THR A 112 -6.277 11.004 -8.960 1.00 44.31 H new ATOM 0 HG21 THR A 112 -4.336 10.715 -7.700 1.00 50.52 H new ATOM 0 HG22 THR A 112 -3.281 12.129 -7.468 1.00 50.52 H new ATOM 0 HG23 THR A 112 -4.896 12.093 -6.723 1.00 50.52 H new ATOM 1732 N ASP A 113 -4.504 14.851 -10.961 1.00 71.30 N ATOM 1733 CA ASP A 113 -4.825 15.593 -12.188 1.00 2.42 C ATOM 1734 C ASP A 113 -5.959 14.944 -12.995 1.00 3.10 C ATOM 1735 O ASP A 113 -5.919 13.751 -13.304 1.00 63.24 O ATOM 1736 CB ASP A 113 -3.584 15.695 -13.075 1.00 65.01 C ATOM 1737 CG ASP A 113 -2.382 16.225 -12.322 1.00 71.01 C ATOM 1738 OD1 ASP A 113 -1.631 15.409 -11.747 1.00 13.20 O ATOM 1739 OD2 ASP A 113 -2.180 17.456 -12.303 1.00 41.12 O ATOM 0 H ASP A 113 -3.535 14.536 -10.908 1.00 71.30 H new ATOM 0 HA ASP A 113 -5.160 16.582 -11.877 1.00 2.42 H new ATOM 0 HB2 ASP A 113 -3.350 14.712 -13.483 1.00 65.01 H new ATOM 0 HB3 ASP A 113 -3.797 16.349 -13.921 1.00 65.01 H new ATOM 1744 N GLY A 114 -6.969 15.737 -13.337 1.00 12.22 N ATOM 1745 CA GLY A 114 -8.004 15.275 -14.251 1.00 54.32 C ATOM 1746 C GLY A 114 -7.506 15.235 -15.692 1.00 74.41 C ATOM 1747 O GLY A 114 -8.074 14.549 -16.545 1.00 72.42 O ATOM 0 H GLY A 114 -7.092 16.692 -12.999 1.00 12.22 H new ATOM 0 HA2 GLY A 114 -8.336 14.280 -13.953 1.00 54.32 H new ATOM 0 HA3 GLY A 114 -8.870 15.933 -14.183 1.00 54.32 H new ATOM 1751 N THR A 115 -6.433 15.982 -15.956 1.00 61.34 N ATOM 1752 CA THR A 115 -5.800 16.018 -17.280 1.00 11.43 C ATOM 1753 C THR A 115 -4.659 14.991 -17.391 1.00 52.04 C ATOM 1754 O THR A 115 -4.816 13.943 -18.019 1.00 74.04 O ATOM 1755 CB THR A 115 -5.249 17.431 -17.602 1.00 15.32 C ATOM 1756 OG1 THR A 115 -4.282 17.828 -16.611 1.00 64.11 O ATOM 1757 CG2 THR A 115 -6.375 18.462 -17.652 1.00 73.20 C ATOM 0 H THR A 115 -5.978 16.577 -15.264 1.00 61.34 H new ATOM 0 HA THR A 115 -6.574 15.763 -18.004 1.00 11.43 H new ATOM 0 HB THR A 115 -4.771 17.387 -18.581 1.00 15.32 H new ATOM 0 HG1 THR A 115 -3.940 18.721 -16.827 1.00 64.11 H new ATOM 0 HG21 THR A 115 -5.960 19.444 -17.880 1.00 73.20 H new ATOM 0 HG22 THR A 115 -7.090 18.182 -18.426 1.00 73.20 H new ATOM 0 HG23 THR A 115 -6.880 18.497 -16.687 1.00 73.20 H new ATOM 1765 N GLY A 116 -3.516 15.292 -16.771 1.00 62.10 N ATOM 1766 CA GLY A 116 -2.365 14.392 -16.817 1.00 55.40 C ATOM 1767 C GLY A 116 -1.025 15.127 -16.721 1.00 52.53 C ATOM 1768 O GLY A 116 -0.858 16.206 -17.294 1.00 15.24 O ATOM 0 H GLY A 116 -3.364 16.146 -16.235 1.00 62.10 H new ATOM 0 HA2 GLY A 116 -2.439 13.675 -15.999 1.00 55.40 H new ATOM 0 HA3 GLY A 116 -2.394 13.821 -17.745 1.00 55.40 H new ATOM 1772 N MET A 117 -0.074 14.548 -15.986 1.00 50.15 N ATOM 1773 CA MET A 117 1.260 15.146 -15.805 1.00 70.45 C ATOM 1774 C MET A 117 2.382 14.166 -16.193 1.00 52.55 C ATOM 1775 O MET A 117 2.233 12.950 -16.055 1.00 55.21 O ATOM 1776 CB MET A 117 1.452 15.570 -14.341 1.00 31.23 C ATOM 1777 CG MET A 117 0.555 16.719 -13.905 1.00 34.42 C ATOM 1778 SD MET A 117 1.034 18.301 -14.628 1.00 62.41 S ATOM 1779 CE MET A 117 2.691 18.484 -13.969 1.00 72.02 C ATOM 0 H MET A 117 -0.200 13.659 -15.501 1.00 50.15 H new ATOM 0 HA MET A 117 1.319 16.015 -16.460 1.00 70.45 H new ATOM 0 HB2 MET A 117 1.263 14.711 -13.697 1.00 31.23 H new ATOM 0 HB3 MET A 117 2.492 15.858 -14.191 1.00 31.23 H new ATOM 0 HG2 MET A 117 -0.475 16.495 -14.184 1.00 34.42 H new ATOM 0 HG3 MET A 117 0.580 16.800 -12.818 1.00 34.42 H new ATOM 0 HE1 MET A 117 2.833 19.507 -13.619 1.00 72.02 H new ATOM 0 HE2 MET A 117 2.830 17.794 -13.137 1.00 72.02 H new ATOM 0 HE3 MET A 117 3.419 18.263 -14.749 1.00 72.02 H new ATOM 1789 N PRO A 118 3.522 14.689 -16.685 1.00 15.21 N ATOM 1790 CA PRO A 118 4.720 13.878 -16.963 1.00 32.31 C ATOM 1791 C PRO A 118 5.448 13.456 -15.672 1.00 23.44 C ATOM 1792 O PRO A 118 5.205 14.022 -14.600 1.00 1.04 O ATOM 1793 CB PRO A 118 5.615 14.814 -17.807 1.00 5.13 C ATOM 1794 CG PRO A 118 4.772 16.012 -18.120 1.00 33.11 C ATOM 1795 CD PRO A 118 3.739 16.098 -17.031 1.00 45.34 C ATOM 0 HA PRO A 118 4.469 12.947 -17.470 1.00 32.31 H new ATOM 0 HB2 PRO A 118 6.511 15.100 -17.256 1.00 5.13 H new ATOM 0 HB3 PRO A 118 5.946 14.320 -18.720 1.00 5.13 H new ATOM 0 HG2 PRO A 118 5.379 16.917 -18.152 1.00 33.11 H new ATOM 0 HG3 PRO A 118 4.299 15.910 -19.097 1.00 33.11 H new ATOM 0 HD2 PRO A 118 4.096 16.675 -16.178 1.00 45.34 H new ATOM 0 HD3 PRO A 118 2.823 16.576 -17.378 1.00 45.34 H new ATOM 1803 N GLN A 119 6.356 12.480 -15.787 1.00 30.43 N ATOM 1804 CA GLN A 119 7.103 11.957 -14.633 1.00 43.01 C ATOM 1805 C GLN A 119 6.169 11.262 -13.625 1.00 51.11 C ATOM 1806 O GLN A 119 5.022 10.944 -13.937 1.00 34.25 O ATOM 1807 CB GLN A 119 7.881 13.086 -13.930 1.00 70.00 C ATOM 1808 CG GLN A 119 8.909 13.782 -14.813 1.00 73.34 C ATOM 1809 CD GLN A 119 9.562 14.960 -14.112 1.00 52.30 C ATOM 1810 OE1 GLN A 119 9.086 16.088 -14.192 1.00 72.12 O ATOM 1811 NE2 GLN A 119 10.649 14.708 -13.408 1.00 51.01 N ATOM 0 H GLN A 119 6.593 12.033 -16.673 1.00 30.43 H new ATOM 0 HA GLN A 119 7.810 11.218 -15.011 1.00 43.01 H new ATOM 0 HB2 GLN A 119 7.171 13.828 -13.565 1.00 70.00 H new ATOM 0 HB3 GLN A 119 8.388 12.674 -13.058 1.00 70.00 H new ATOM 0 HG2 GLN A 119 9.676 13.066 -15.108 1.00 73.34 H new ATOM 0 HG3 GLN A 119 8.426 14.127 -15.727 1.00 73.34 H new ATOM 0 HE21 GLN A 119 11.018 13.758 -13.363 1.00 51.01 H new ATOM 0 HE22 GLN A 119 11.120 15.463 -12.909 1.00 51.01 H new ATOM 1820 N PHE A 120 6.672 11.018 -12.419 1.00 64.23 N ATOM 1821 CA PHE A 120 5.876 10.380 -11.368 1.00 71.53 C ATOM 1822 C PHE A 120 5.657 11.334 -10.182 1.00 13.33 C ATOM 1823 O PHE A 120 6.613 11.863 -9.612 1.00 61.01 O ATOM 1824 CB PHE A 120 6.568 9.096 -10.887 1.00 64.21 C ATOM 1825 CG PHE A 120 6.707 8.040 -11.958 1.00 63.12 C ATOM 1826 CD1 PHE A 120 7.817 8.017 -12.794 1.00 52.14 C ATOM 1827 CD2 PHE A 120 5.728 7.070 -12.126 1.00 24.11 C ATOM 1828 CE1 PHE A 120 7.943 7.051 -13.774 1.00 4.40 C ATOM 1829 CE2 PHE A 120 5.851 6.102 -13.105 1.00 31.51 C ATOM 1830 CZ PHE A 120 6.959 6.092 -13.930 1.00 42.21 C ATOM 0 H PHE A 120 7.626 11.251 -12.142 1.00 64.23 H new ATOM 0 HA PHE A 120 4.902 10.128 -11.788 1.00 71.53 H new ATOM 0 HB2 PHE A 120 7.558 9.348 -10.508 1.00 64.21 H new ATOM 0 HB3 PHE A 120 6.003 8.681 -10.052 1.00 64.21 H new ATOM 0 HD1 PHE A 120 8.590 8.762 -12.676 1.00 52.14 H new ATOM 0 HD2 PHE A 120 4.860 7.072 -11.484 1.00 24.11 H new ATOM 0 HE1 PHE A 120 8.810 7.045 -14.418 1.00 4.40 H new ATOM 0 HE2 PHE A 120 5.081 5.354 -13.225 1.00 31.51 H new ATOM 0 HZ PHE A 120 7.057 5.336 -14.696 1.00 42.21 H new ATOM 1840 N LYS A 121 4.393 11.565 -9.824 1.00 1.51 N ATOM 1841 CA LYS A 121 4.056 12.371 -8.641 1.00 41.24 C ATOM 1842 C LYS A 121 3.147 11.598 -7.677 1.00 23.51 C ATOM 1843 O LYS A 121 1.968 11.376 -7.955 1.00 64.13 O ATOM 1844 CB LYS A 121 3.373 13.690 -9.031 1.00 42.24 C ATOM 1845 CG LYS A 121 4.260 14.651 -9.823 1.00 34.30 C ATOM 1846 CD LYS A 121 3.801 16.100 -9.654 1.00 21.31 C ATOM 1847 CE LYS A 121 2.339 16.294 -10.057 1.00 63.01 C ATOM 1848 NZ LYS A 121 1.821 17.633 -9.659 1.00 40.52 N ATOM 0 H LYS A 121 3.584 11.208 -10.333 1.00 1.51 H new ATOM 0 HA LYS A 121 4.998 12.596 -8.140 1.00 41.24 H new ATOM 0 HB2 LYS A 121 2.485 13.464 -9.621 1.00 42.24 H new ATOM 0 HB3 LYS A 121 3.034 14.191 -8.124 1.00 42.24 H new ATOM 0 HG2 LYS A 121 5.293 14.554 -9.490 1.00 34.30 H new ATOM 0 HG3 LYS A 121 4.239 14.382 -10.879 1.00 34.30 H new ATOM 0 HD2 LYS A 121 3.933 16.402 -8.615 1.00 21.31 H new ATOM 0 HD3 LYS A 121 4.432 16.752 -10.258 1.00 21.31 H new ATOM 0 HE2 LYS A 121 2.242 16.174 -11.136 1.00 63.01 H new ATOM 0 HE3 LYS A 121 1.730 15.518 -9.594 1.00 63.01 H new ATOM 0 HZ1 LYS A 121 0.827 17.722 -9.951 1.00 40.52 H new ATOM 0 HZ2 LYS A 121 1.889 17.739 -8.627 1.00 40.52 H new ATOM 0 HZ3 LYS A 121 2.385 18.375 -10.121 1.00 40.52 H new ATOM 1862 N GLY A 122 3.707 11.180 -6.548 1.00 60.44 N ATOM 1863 CA GLY A 122 2.929 10.501 -5.519 1.00 25.21 C ATOM 1864 C GLY A 122 3.057 11.164 -4.152 1.00 40.21 C ATOM 1865 O GLY A 122 3.921 12.020 -3.945 1.00 45.14 O ATOM 0 H GLY A 122 4.695 11.299 -6.322 1.00 60.44 H new ATOM 0 HA2 GLY A 122 1.880 10.485 -5.814 1.00 25.21 H new ATOM 0 HA3 GLY A 122 3.256 9.464 -5.447 1.00 25.21 H new ATOM 1869 N VAL A 123 2.200 10.770 -3.218 1.00 41.01 N ATOM 1870 CA VAL A 123 2.232 11.319 -1.852 1.00 14.50 C ATOM 1871 C VAL A 123 3.316 10.646 -0.983 1.00 30.25 C ATOM 1872 O VAL A 123 3.348 9.427 -0.854 1.00 4.23 O ATOM 1873 CB VAL A 123 0.857 11.156 -1.162 1.00 21.12 C ATOM 1874 CG1 VAL A 123 0.886 11.706 0.264 1.00 14.20 C ATOM 1875 CG2 VAL A 123 -0.238 11.833 -1.985 1.00 24.23 C ATOM 0 H VAL A 123 1.472 10.073 -3.373 1.00 41.01 H new ATOM 0 HA VAL A 123 2.473 12.378 -1.946 1.00 14.50 H new ATOM 0 HB VAL A 123 0.633 10.091 -1.101 1.00 21.12 H new ATOM 0 HG11 VAL A 123 -0.094 11.578 0.723 1.00 14.20 H new ATOM 0 HG12 VAL A 123 1.633 11.167 0.847 1.00 14.20 H new ATOM 0 HG13 VAL A 123 1.139 12.766 0.240 1.00 14.20 H new ATOM 0 HG21 VAL A 123 -1.199 11.709 -1.485 1.00 24.23 H new ATOM 0 HG22 VAL A 123 -0.015 12.895 -2.083 1.00 24.23 H new ATOM 0 HG23 VAL A 123 -0.283 11.379 -2.975 1.00 24.23 H new ATOM 1885 N LYS A 124 4.195 11.452 -0.381 1.00 52.43 N ATOM 1886 CA LYS A 124 5.253 10.925 0.504 1.00 10.12 C ATOM 1887 C LYS A 124 4.673 10.206 1.740 1.00 52.22 C ATOM 1888 O LYS A 124 3.635 10.600 2.274 1.00 11.31 O ATOM 1889 CB LYS A 124 6.190 12.058 0.968 1.00 51.05 C ATOM 1890 CG LYS A 124 7.372 12.337 0.038 1.00 13.42 C ATOM 1891 CD LYS A 124 6.941 12.853 -1.331 1.00 33.02 C ATOM 1892 CE LYS A 124 8.140 13.311 -2.156 1.00 75.11 C ATOM 1893 NZ LYS A 124 7.731 13.888 -3.464 1.00 23.42 N ATOM 0 H LYS A 124 4.201 12.467 -0.485 1.00 52.43 H new ATOM 0 HA LYS A 124 5.816 10.197 -0.080 1.00 10.12 H new ATOM 0 HB2 LYS A 124 5.606 12.972 1.074 1.00 51.05 H new ATOM 0 HB3 LYS A 124 6.575 11.809 1.957 1.00 51.05 H new ATOM 0 HG2 LYS A 124 8.031 13.069 0.506 1.00 13.42 H new ATOM 0 HG3 LYS A 124 7.951 11.422 -0.090 1.00 13.42 H new ATOM 0 HD2 LYS A 124 6.408 12.067 -1.866 1.00 33.02 H new ATOM 0 HD3 LYS A 124 6.245 13.683 -1.206 1.00 33.02 H new ATOM 0 HE2 LYS A 124 8.704 14.054 -1.593 1.00 75.11 H new ATOM 0 HE3 LYS A 124 8.807 12.466 -2.326 1.00 75.11 H new ATOM 0 HZ1 LYS A 124 8.342 14.698 -3.692 1.00 23.42 H new ATOM 0 HZ2 LYS A 124 7.823 13.165 -4.206 1.00 23.42 H new ATOM 0 HZ3 LYS A 124 6.742 14.204 -3.410 1.00 23.42 H new ATOM 1907 N GLY A 125 5.362 9.158 2.190 1.00 24.02 N ATOM 1908 CA GLY A 125 4.941 8.425 3.384 1.00 25.43 C ATOM 1909 C GLY A 125 5.945 7.352 3.808 1.00 42.33 C ATOM 1910 O GLY A 125 7.104 7.371 3.383 1.00 34.44 O ATOM 0 H GLY A 125 6.209 8.799 1.749 1.00 24.02 H new ATOM 0 HA2 GLY A 125 4.800 9.128 4.205 1.00 25.43 H new ATOM 0 HA3 GLY A 125 3.975 7.957 3.195 1.00 25.43 H new ATOM 1914 N THR A 126 5.506 6.423 4.655 1.00 35.02 N ATOM 1915 CA THR A 126 6.348 5.298 5.100 1.00 53.34 C ATOM 1916 C THR A 126 5.657 3.957 4.856 1.00 24.01 C ATOM 1917 O THR A 126 4.442 3.838 5.023 1.00 61.52 O ATOM 1918 CB THR A 126 6.690 5.382 6.611 1.00 11.53 C ATOM 1919 OG1 THR A 126 5.481 5.454 7.384 1.00 44.03 O ATOM 1920 CG2 THR A 126 7.576 6.588 6.920 1.00 61.15 C ATOM 0 H THR A 126 4.567 6.422 5.053 1.00 35.02 H new ATOM 0 HA THR A 126 7.265 5.367 4.515 1.00 53.34 H new ATOM 0 HB THR A 126 7.243 4.482 6.879 1.00 11.53 H new ATOM 0 HG1 THR A 126 5.681 5.818 8.271 1.00 44.03 H new ATOM 0 HG21 THR A 126 7.795 6.615 7.987 1.00 61.15 H new ATOM 0 HG22 THR A 126 8.508 6.508 6.360 1.00 61.15 H new ATOM 0 HG23 THR A 126 7.058 7.503 6.633 1.00 61.15 H new ATOM 1928 N VAL A 127 6.430 2.948 4.472 1.00 13.52 N ATOM 1929 CA VAL A 127 5.901 1.591 4.314 1.00 32.31 C ATOM 1930 C VAL A 127 6.808 0.569 5.012 1.00 34.40 C ATOM 1931 O VAL A 127 8.036 0.713 5.023 1.00 14.31 O ATOM 1932 CB VAL A 127 5.747 1.207 2.816 1.00 21.30 C ATOM 1933 CG1 VAL A 127 7.104 1.178 2.114 1.00 31.33 C ATOM 1934 CG2 VAL A 127 5.029 -0.135 2.669 1.00 11.40 C ATOM 0 H VAL A 127 7.424 3.040 4.264 1.00 13.52 H new ATOM 0 HA VAL A 127 4.915 1.576 4.778 1.00 32.31 H new ATOM 0 HB VAL A 127 5.137 1.972 2.335 1.00 21.30 H new ATOM 0 HG11 VAL A 127 6.966 0.907 1.067 1.00 31.33 H new ATOM 0 HG12 VAL A 127 7.567 2.163 2.176 1.00 31.33 H new ATOM 0 HG13 VAL A 127 7.748 0.444 2.598 1.00 31.33 H new ATOM 0 HG21 VAL A 127 4.933 -0.382 1.612 1.00 11.40 H new ATOM 0 HG22 VAL A 127 5.604 -0.912 3.173 1.00 11.40 H new ATOM 0 HG23 VAL A 127 4.038 -0.068 3.117 1.00 11.40 H new ATOM 1944 N GLU A 128 6.199 -0.451 5.606 1.00 12.43 N ATOM 1945 CA GLU A 128 6.949 -1.531 6.242 1.00 42.43 C ATOM 1946 C GLU A 128 6.058 -2.767 6.459 1.00 52.21 C ATOM 1947 O GLU A 128 4.845 -2.711 6.251 1.00 63.01 O ATOM 1948 CB GLU A 128 7.568 -1.030 7.564 1.00 42.40 C ATOM 1949 CG GLU A 128 6.586 -0.739 8.706 1.00 54.23 C ATOM 1950 CD GLU A 128 5.318 -0.007 8.291 1.00 4.45 C ATOM 1951 OE1 GLU A 128 5.333 1.241 8.219 1.00 54.42 O ATOM 1952 OE2 GLU A 128 4.280 -0.675 8.086 1.00 65.52 O ATOM 0 H GLU A 128 5.186 -0.554 5.661 1.00 12.43 H new ATOM 0 HA GLU A 128 7.761 -1.837 5.582 1.00 42.43 H new ATOM 0 HB2 GLU A 128 8.285 -1.775 7.910 1.00 42.40 H new ATOM 0 HB3 GLU A 128 8.130 -0.120 7.355 1.00 42.40 H new ATOM 0 HG2 GLU A 128 6.306 -1.683 9.174 1.00 54.23 H new ATOM 0 HG3 GLU A 128 7.098 -0.147 9.464 1.00 54.23 H new ATOM 1959 N LYS A 129 6.660 -3.893 6.834 1.00 12.45 N ATOM 1960 CA LYS A 129 5.891 -5.117 7.095 1.00 71.21 C ATOM 1961 C LYS A 129 5.051 -4.974 8.377 1.00 61.41 C ATOM 1962 O LYS A 129 5.508 -4.400 9.367 1.00 63.13 O ATOM 1963 CB LYS A 129 6.826 -6.328 7.213 1.00 51.02 C ATOM 1964 CG LYS A 129 6.090 -7.652 7.411 1.00 61.02 C ATOM 1965 CD LYS A 129 7.051 -8.807 7.669 1.00 53.01 C ATOM 1966 CE LYS A 129 7.914 -9.137 6.456 1.00 64.31 C ATOM 1967 NZ LYS A 129 7.103 -9.655 5.324 1.00 42.14 N ATOM 0 H LYS A 129 7.667 -3.988 6.964 1.00 12.45 H new ATOM 0 HA LYS A 129 5.216 -5.274 6.254 1.00 71.21 H new ATOM 0 HB2 LYS A 129 7.438 -6.393 6.313 1.00 51.02 H new ATOM 0 HB3 LYS A 129 7.506 -6.171 8.050 1.00 51.02 H new ATOM 0 HG2 LYS A 129 5.399 -7.561 8.249 1.00 61.02 H new ATOM 0 HG3 LYS A 129 5.491 -7.869 6.527 1.00 61.02 H new ATOM 0 HD2 LYS A 129 7.696 -8.556 8.511 1.00 53.01 H new ATOM 0 HD3 LYS A 129 6.481 -9.691 7.956 1.00 53.01 H new ATOM 0 HE2 LYS A 129 8.451 -8.243 6.139 1.00 64.31 H new ATOM 0 HE3 LYS A 129 8.664 -9.878 6.734 1.00 64.31 H new ATOM 0 HZ1 LYS A 129 7.725 -10.131 4.640 1.00 42.14 H new ATOM 0 HZ2 LYS A 129 6.400 -10.333 5.682 1.00 42.14 H new ATOM 0 HZ3 LYS A 129 6.615 -8.865 4.856 1.00 42.14 H new ATOM 1981 N THR A 130 3.830 -5.507 8.362 1.00 74.43 N ATOM 1982 CA THR A 130 2.926 -5.380 9.517 1.00 71.41 C ATOM 1983 C THR A 130 2.286 -6.717 9.900 1.00 52.40 C ATOM 1984 O THR A 130 2.259 -7.665 9.111 1.00 35.31 O ATOM 1985 CB THR A 130 1.802 -4.341 9.265 1.00 40.42 C ATOM 1986 OG1 THR A 130 1.005 -4.183 10.449 1.00 51.21 O ATOM 1987 CG2 THR A 130 0.904 -4.752 8.102 1.00 54.11 C ATOM 0 H THR A 130 3.442 -6.026 7.575 1.00 74.43 H new ATOM 0 HA THR A 130 3.551 -5.037 10.341 1.00 71.41 H new ATOM 0 HB THR A 130 2.280 -3.395 9.009 1.00 40.42 H new ATOM 0 HG1 THR A 130 0.138 -3.793 10.210 1.00 51.21 H new ATOM 0 HG21 THR A 130 0.129 -3.999 7.957 1.00 54.11 H new ATOM 0 HG22 THR A 130 1.501 -4.838 7.194 1.00 54.11 H new ATOM 0 HG23 THR A 130 0.439 -5.713 8.323 1.00 54.11 H new ATOM 1995 N ASP A 131 1.778 -6.781 11.126 1.00 73.22 N ATOM 1996 CA ASP A 131 1.113 -7.978 11.644 1.00 52.12 C ATOM 1997 C ASP A 131 -0.357 -8.032 11.197 1.00 13.44 C ATOM 1998 O ASP A 131 -0.999 -9.087 11.241 1.00 30.21 O ATOM 1999 CB ASP A 131 1.198 -7.976 13.172 1.00 13.32 C ATOM 2000 CG ASP A 131 2.618 -7.763 13.660 1.00 34.12 C ATOM 2001 OD1 ASP A 131 3.080 -6.600 13.672 1.00 14.04 O ATOM 2002 OD2 ASP A 131 3.284 -8.750 14.030 1.00 14.11 O ATOM 0 H ASP A 131 1.814 -6.008 11.790 1.00 73.22 H new ATOM 0 HA ASP A 131 1.615 -8.860 11.246 1.00 52.12 H new ATOM 0 HB2 ASP A 131 0.556 -7.190 13.570 1.00 13.32 H new ATOM 0 HB3 ASP A 131 0.820 -8.923 13.558 1.00 13.32 H new ATOM 2007 N GLU A 132 -0.883 -6.884 10.771 1.00 41.34 N ATOM 2008 CA GLU A 132 -2.273 -6.785 10.310 1.00 12.22 C ATOM 2009 C GLU A 132 -2.502 -7.506 8.975 1.00 75.24 C ATOM 2010 O GLU A 132 -1.594 -7.649 8.155 1.00 75.30 O ATOM 2011 CB GLU A 132 -2.693 -5.315 10.160 1.00 31.33 C ATOM 2012 CG GLU A 132 -3.049 -4.626 11.471 1.00 64.04 C ATOM 2013 CD GLU A 132 -4.273 -5.232 12.145 1.00 52.02 C ATOM 2014 OE1 GLU A 132 -5.372 -5.191 11.548 1.00 31.21 O ATOM 2015 OE2 GLU A 132 -4.145 -5.737 13.280 1.00 12.31 O ATOM 0 H GLU A 132 -0.367 -6.005 10.735 1.00 41.34 H new ATOM 0 HA GLU A 132 -2.883 -7.273 11.070 1.00 12.22 H new ATOM 0 HB2 GLU A 132 -1.882 -4.765 9.683 1.00 31.33 H new ATOM 0 HB3 GLU A 132 -3.552 -5.261 9.491 1.00 31.33 H new ATOM 0 HG2 GLU A 132 -2.199 -4.687 12.150 1.00 64.04 H new ATOM 0 HG3 GLU A 132 -3.231 -3.568 11.282 1.00 64.04 H new ATOM 2022 N LYS A 133 -3.734 -7.952 8.778 1.00 4.31 N ATOM 2023 CA LYS A 133 -4.163 -8.536 7.504 1.00 54.55 C ATOM 2024 C LYS A 133 -4.472 -7.436 6.480 1.00 31.42 C ATOM 2025 O LYS A 133 -4.712 -6.285 6.849 1.00 15.01 O ATOM 2026 CB LYS A 133 -5.417 -9.411 7.702 1.00 54.14 C ATOM 2027 CG LYS A 133 -6.705 -8.627 7.990 1.00 22.21 C ATOM 2028 CD LYS A 133 -6.666 -7.917 9.343 1.00 12.23 C ATOM 2029 CE LYS A 133 -7.885 -7.029 9.567 1.00 30.44 C ATOM 2030 NZ LYS A 133 -7.837 -6.356 10.894 1.00 44.24 N ATOM 0 H LYS A 133 -4.465 -7.922 9.489 1.00 4.31 H new ATOM 0 HA LYS A 133 -3.347 -9.155 7.131 1.00 54.55 H new ATOM 0 HB2 LYS A 133 -5.567 -10.015 6.807 1.00 54.14 H new ATOM 0 HB3 LYS A 133 -5.236 -10.101 8.526 1.00 54.14 H new ATOM 0 HG2 LYS A 133 -6.863 -7.891 7.201 1.00 22.21 H new ATOM 0 HG3 LYS A 133 -7.555 -9.309 7.965 1.00 22.21 H new ATOM 0 HD2 LYS A 133 -6.609 -8.660 10.139 1.00 12.23 H new ATOM 0 HD3 LYS A 133 -5.762 -7.312 9.407 1.00 12.23 H new ATOM 0 HE2 LYS A 133 -7.938 -6.278 8.779 1.00 30.44 H new ATOM 0 HE3 LYS A 133 -8.792 -7.630 9.496 1.00 30.44 H new ATOM 0 HZ1 LYS A 133 -8.627 -5.684 10.971 1.00 44.24 H new ATOM 0 HZ2 LYS A 133 -7.914 -7.069 11.648 1.00 44.24 H new ATOM 0 HZ3 LYS A 133 -6.937 -5.845 10.992 1.00 44.24 H new ATOM 2044 N VAL A 134 -4.479 -7.788 5.198 1.00 32.33 N ATOM 2045 CA VAL A 134 -4.880 -6.842 4.154 1.00 2.35 C ATOM 2046 C VAL A 134 -6.364 -6.484 4.294 1.00 24.40 C ATOM 2047 O VAL A 134 -7.221 -7.372 4.353 1.00 34.34 O ATOM 2048 CB VAL A 134 -4.613 -7.409 2.739 1.00 74.10 C ATOM 2049 CG1 VAL A 134 -5.111 -6.453 1.654 1.00 41.43 C ATOM 2050 CG2 VAL A 134 -3.127 -7.699 2.561 1.00 31.02 C ATOM 0 H VAL A 134 -4.215 -8.712 4.856 1.00 32.33 H new ATOM 0 HA VAL A 134 -4.277 -5.943 4.281 1.00 2.35 H new ATOM 0 HB VAL A 134 -5.168 -8.342 2.636 1.00 74.10 H new ATOM 0 HG11 VAL A 134 -4.909 -6.880 0.672 1.00 41.43 H new ATOM 0 HG12 VAL A 134 -6.184 -6.299 1.769 1.00 41.43 H new ATOM 0 HG13 VAL A 134 -4.596 -5.497 1.747 1.00 41.43 H new ATOM 0 HG21 VAL A 134 -2.951 -8.097 1.562 1.00 31.02 H new ATOM 0 HG22 VAL A 134 -2.559 -6.778 2.690 1.00 31.02 H new ATOM 0 HG23 VAL A 134 -2.807 -8.429 3.304 1.00 31.02 H new ATOM 2060 N LEU A 135 -6.657 -5.186 4.358 1.00 31.43 N ATOM 2061 CA LEU A 135 -8.032 -4.716 4.568 1.00 44.52 C ATOM 2062 C LEU A 135 -8.996 -5.264 3.510 1.00 24.24 C ATOM 2063 O LEU A 135 -8.716 -5.221 2.313 1.00 44.05 O ATOM 2064 CB LEU A 135 -8.089 -3.176 4.579 1.00 12.34 C ATOM 2065 CG LEU A 135 -8.091 -2.530 5.976 1.00 52.44 C ATOM 2066 CD1 LEU A 135 -8.121 -1.007 5.876 1.00 31.12 C ATOM 2067 CD2 LEU A 135 -9.276 -3.036 6.796 1.00 32.13 C ATOM 0 H LEU A 135 -5.966 -4.441 4.268 1.00 31.43 H new ATOM 0 HA LEU A 135 -8.350 -5.094 5.540 1.00 44.52 H new ATOM 0 HB2 LEU A 135 -7.235 -2.793 4.020 1.00 12.34 H new ATOM 0 HB3 LEU A 135 -8.986 -2.858 4.048 1.00 12.34 H new ATOM 0 HG LEU A 135 -7.169 -2.816 6.482 1.00 52.44 H new ATOM 0 HD11 LEU A 135 -8.122 -0.577 6.877 1.00 31.12 H new ATOM 0 HD12 LEU A 135 -7.242 -0.661 5.333 1.00 31.12 H new ATOM 0 HD13 LEU A 135 -9.021 -0.695 5.346 1.00 31.12 H new ATOM 0 HD21 LEU A 135 -9.263 -2.569 7.781 1.00 32.13 H new ATOM 0 HD22 LEU A 135 -10.206 -2.782 6.287 1.00 32.13 H new ATOM 0 HD23 LEU A 135 -9.207 -4.118 6.906 1.00 32.13 H new ATOM 2079 N SER A 136 -10.127 -5.789 3.964 1.00 52.42 N ATOM 2080 CA SER A 136 -11.186 -6.229 3.053 1.00 23.31 C ATOM 2081 C SER A 136 -11.873 -5.006 2.429 1.00 64.33 C ATOM 2082 O SER A 136 -12.089 -4.007 3.112 1.00 53.05 O ATOM 2083 CB SER A 136 -12.216 -7.085 3.804 1.00 15.21 C ATOM 2084 OG SER A 136 -11.583 -8.106 4.567 1.00 23.20 O ATOM 0 H SER A 136 -10.338 -5.922 4.953 1.00 52.42 H new ATOM 0 HA SER A 136 -10.743 -6.834 2.262 1.00 23.31 H new ATOM 0 HB2 SER A 136 -12.808 -6.450 4.463 1.00 15.21 H new ATOM 0 HB3 SER A 136 -12.906 -7.536 3.091 1.00 15.21 H new ATOM 0 HG SER A 136 -11.181 -7.713 5.370 1.00 23.20 H new ATOM 2090 N VAL A 137 -12.212 -5.083 1.142 1.00 54.33 N ATOM 2091 CA VAL A 137 -12.793 -3.940 0.411 1.00 50.24 C ATOM 2092 C VAL A 137 -13.923 -3.246 1.200 1.00 23.02 C ATOM 2093 O VAL A 137 -13.920 -2.025 1.364 1.00 51.01 O ATOM 2094 CB VAL A 137 -13.326 -4.383 -0.977 1.00 32.45 C ATOM 2095 CG1 VAL A 137 -13.976 -3.214 -1.715 1.00 71.31 C ATOM 2096 CG2 VAL A 137 -12.197 -4.983 -1.813 1.00 14.10 C ATOM 0 H VAL A 137 -12.097 -5.924 0.577 1.00 54.33 H new ATOM 0 HA VAL A 137 -11.987 -3.219 0.279 1.00 50.24 H new ATOM 0 HB VAL A 137 -14.088 -5.146 -0.820 1.00 32.45 H new ATOM 0 HG11 VAL A 137 -14.341 -3.553 -2.685 1.00 71.31 H new ATOM 0 HG12 VAL A 137 -14.810 -2.831 -1.127 1.00 71.31 H new ATOM 0 HG13 VAL A 137 -13.241 -2.422 -1.860 1.00 71.31 H new ATOM 0 HG21 VAL A 137 -12.586 -5.289 -2.784 1.00 14.10 H new ATOM 0 HG22 VAL A 137 -11.414 -4.238 -1.955 1.00 14.10 H new ATOM 0 HG23 VAL A 137 -11.784 -5.850 -1.298 1.00 14.10 H new ATOM 2106 N LYS A 138 -14.869 -4.034 1.701 1.00 3.52 N ATOM 2107 CA LYS A 138 -15.991 -3.503 2.494 1.00 63.34 C ATOM 2108 C LYS A 138 -15.524 -3.041 3.884 1.00 4.33 C ATOM 2109 O LYS A 138 -15.927 -1.983 4.368 1.00 60.43 O ATOM 2110 CB LYS A 138 -17.078 -4.576 2.643 1.00 43.15 C ATOM 2111 CG LYS A 138 -18.306 -4.116 3.427 1.00 43.31 C ATOM 2112 CD LYS A 138 -19.265 -5.270 3.712 1.00 32.14 C ATOM 2113 CE LYS A 138 -19.758 -5.935 2.432 1.00 1.32 C ATOM 2114 NZ LYS A 138 -20.592 -7.131 2.717 1.00 73.35 N ATOM 0 H LYS A 138 -14.888 -5.046 1.576 1.00 3.52 H new ATOM 0 HA LYS A 138 -16.397 -2.639 1.967 1.00 63.34 H new ATOM 0 HB2 LYS A 138 -17.394 -4.898 1.651 1.00 43.15 H new ATOM 0 HB3 LYS A 138 -16.649 -5.446 3.139 1.00 43.15 H new ATOM 0 HG2 LYS A 138 -17.989 -3.667 4.368 1.00 43.31 H new ATOM 0 HG3 LYS A 138 -18.827 -3.342 2.864 1.00 43.31 H new ATOM 0 HD2 LYS A 138 -18.765 -6.011 4.336 1.00 32.14 H new ATOM 0 HD3 LYS A 138 -20.119 -4.900 4.280 1.00 32.14 H new ATOM 0 HE2 LYS A 138 -20.337 -5.218 1.850 1.00 1.32 H new ATOM 0 HE3 LYS A 138 -18.903 -6.225 1.821 1.00 1.32 H new ATOM 0 HZ1 LYS A 138 -20.908 -7.555 1.822 1.00 73.35 H new ATOM 0 HZ2 LYS A 138 -20.032 -7.826 3.251 1.00 73.35 H new ATOM 0 HZ3 LYS A 138 -21.421 -6.850 3.279 1.00 73.35 H new ATOM 2128 N GLU A 139 -14.664 -3.842 4.508 1.00 1.02 N ATOM 2129 CA GLU A 139 -14.101 -3.529 5.827 1.00 25.41 C ATOM 2130 C GLU A 139 -13.404 -2.157 5.806 1.00 22.43 C ATOM 2131 O GLU A 139 -13.431 -1.403 6.779 1.00 54.25 O ATOM 2132 CB GLU A 139 -13.119 -4.647 6.203 1.00 72.00 C ATOM 2133 CG GLU A 139 -12.366 -4.454 7.510 1.00 20.24 C ATOM 2134 CD GLU A 139 -11.493 -5.660 7.844 1.00 71.44 C ATOM 2135 OE1 GLU A 139 -10.668 -6.055 6.989 1.00 1.31 O ATOM 2136 OE2 GLU A 139 -11.631 -6.218 8.957 1.00 3.13 O ATOM 0 H GLU A 139 -14.336 -4.725 4.118 1.00 1.02 H new ATOM 0 HA GLU A 139 -14.894 -3.473 6.573 1.00 25.41 H new ATOM 0 HB2 GLU A 139 -13.670 -5.586 6.258 1.00 72.00 H new ATOM 0 HB3 GLU A 139 -12.391 -4.752 5.398 1.00 72.00 H new ATOM 0 HG2 GLU A 139 -11.743 -3.562 7.442 1.00 20.24 H new ATOM 0 HG3 GLU A 139 -13.078 -4.285 8.318 1.00 20.24 H new ATOM 2143 N LEU A 140 -12.798 -1.847 4.666 1.00 0.22 N ATOM 2144 CA LEU A 140 -12.181 -0.553 4.419 1.00 75.43 C ATOM 2145 C LEU A 140 -13.244 0.563 4.382 1.00 61.53 C ATOM 2146 O LEU A 140 -13.049 1.641 4.949 1.00 14.32 O ATOM 2147 CB LEU A 140 -11.416 -0.629 3.094 1.00 60.52 C ATOM 2148 CG LEU A 140 -10.216 0.312 2.972 1.00 53.24 C ATOM 2149 CD1 LEU A 140 -9.242 -0.213 1.932 1.00 62.50 C ATOM 2150 CD2 LEU A 140 -10.657 1.729 2.621 1.00 33.41 C ATOM 0 H LEU A 140 -12.721 -2.494 3.881 1.00 0.22 H new ATOM 0 HA LEU A 140 -11.491 -0.311 5.227 1.00 75.43 H new ATOM 0 HB2 LEU A 140 -11.069 -1.653 2.953 1.00 60.52 H new ATOM 0 HB3 LEU A 140 -12.109 -0.413 2.281 1.00 60.52 H new ATOM 0 HG LEU A 140 -9.715 0.349 3.940 1.00 53.24 H new ATOM 0 HD11 LEU A 140 -8.392 0.465 1.854 1.00 62.50 H new ATOM 0 HD12 LEU A 140 -8.891 -1.202 2.228 1.00 62.50 H new ATOM 0 HD13 LEU A 140 -9.742 -0.280 0.966 1.00 62.50 H new ATOM 0 HD21 LEU A 140 -9.781 2.373 2.541 1.00 33.41 H new ATOM 0 HD22 LEU A 140 -11.188 1.719 1.669 1.00 33.41 H new ATOM 0 HD23 LEU A 140 -11.317 2.108 3.401 1.00 33.41 H new ATOM 2162 N LEU A 141 -14.375 0.286 3.723 1.00 2.12 N ATOM 2163 CA LEU A 141 -15.499 1.235 3.660 1.00 35.13 C ATOM 2164 C LEU A 141 -16.014 1.557 5.069 1.00 20.41 C ATOM 2165 O LEU A 141 -16.421 2.681 5.361 1.00 62.01 O ATOM 2166 CB LEU A 141 -16.653 0.660 2.820 1.00 12.05 C ATOM 2167 CG LEU A 141 -16.261 0.083 1.449 1.00 35.21 C ATOM 2168 CD1 LEU A 141 -17.497 -0.368 0.675 1.00 73.14 C ATOM 2169 CD2 LEU A 141 -15.446 1.085 0.640 1.00 14.22 C ATOM 0 H LEU A 141 -14.539 -0.588 3.224 1.00 2.12 H new ATOM 0 HA LEU A 141 -15.135 2.149 3.191 1.00 35.13 H new ATOM 0 HB2 LEU A 141 -17.141 -0.125 3.397 1.00 12.05 H new ATOM 0 HB3 LEU A 141 -17.391 1.447 2.664 1.00 12.05 H new ATOM 0 HG LEU A 141 -15.633 -0.791 1.623 1.00 35.21 H new ATOM 0 HD11 LEU A 141 -17.194 -0.772 -0.291 1.00 73.14 H new ATOM 0 HD12 LEU A 141 -18.021 -1.137 1.242 1.00 73.14 H new ATOM 0 HD13 LEU A 141 -18.160 0.483 0.520 1.00 73.14 H new ATOM 0 HD21 LEU A 141 -15.184 0.648 -0.324 1.00 14.22 H new ATOM 0 HD22 LEU A 141 -16.035 1.988 0.481 1.00 14.22 H new ATOM 0 HD23 LEU A 141 -14.535 1.337 1.184 1.00 14.22 H new ATOM 2181 N GLU A 142 -16.002 0.547 5.932 1.00 52.14 N ATOM 2182 CA GLU A 142 -16.408 0.710 7.330 1.00 45.14 C ATOM 2183 C GLU A 142 -15.328 1.456 8.133 1.00 30.41 C ATOM 2184 O GLU A 142 -15.634 2.307 8.975 1.00 13.25 O ATOM 2185 CB GLU A 142 -16.676 -0.668 7.954 1.00 44.25 C ATOM 2186 CG GLU A 142 -17.679 -1.508 7.169 1.00 51.11 C ATOM 2187 CD GLU A 142 -17.953 -2.857 7.815 1.00 51.35 C ATOM 2188 OE1 GLU A 142 -17.234 -3.829 7.514 1.00 35.13 O ATOM 2189 OE2 GLU A 142 -18.899 -2.951 8.626 1.00 75.42 O ATOM 0 H GLU A 142 -15.714 -0.401 5.689 1.00 52.14 H new ATOM 0 HA GLU A 142 -17.321 1.304 7.360 1.00 45.14 H new ATOM 0 HB2 GLU A 142 -15.735 -1.214 8.027 1.00 44.25 H new ATOM 0 HB3 GLU A 142 -17.045 -0.532 8.971 1.00 44.25 H new ATOM 0 HG2 GLU A 142 -18.615 -0.957 7.079 1.00 51.11 H new ATOM 0 HG3 GLU A 142 -17.302 -1.664 6.158 1.00 51.11 H new ATOM 2196 N ALA A 143 -14.066 1.137 7.853 1.00 14.41 N ATOM 2197 CA ALA A 143 -12.922 1.738 8.553 1.00 52.12 C ATOM 2198 C ALA A 143 -12.859 3.267 8.382 1.00 31.11 C ATOM 2199 O ALA A 143 -12.496 3.989 9.314 1.00 73.35 O ATOM 2200 CB ALA A 143 -11.621 1.103 8.067 1.00 34.32 C ATOM 0 H ALA A 143 -13.803 0.458 7.138 1.00 14.41 H new ATOM 0 HA ALA A 143 -13.056 1.540 9.616 1.00 52.12 H new ATOM 0 HB1 ALA A 143 -10.778 1.554 8.591 1.00 34.32 H new ATOM 0 HB2 ALA A 143 -11.642 0.032 8.268 1.00 34.32 H new ATOM 0 HB3 ALA A 143 -11.513 1.269 6.995 1.00 34.32 H new ATOM 2206 N ILE A 144 -13.215 3.758 7.192 1.00 62.24 N ATOM 2207 CA ILE A 144 -13.161 5.201 6.907 1.00 52.12 C ATOM 2208 C ILE A 144 -14.316 5.979 7.561 1.00 70.52 C ATOM 2209 O ILE A 144 -14.404 7.200 7.431 1.00 52.21 O ATOM 2210 CB ILE A 144 -13.127 5.482 5.377 1.00 33.24 C ATOM 2211 CG1 ILE A 144 -14.325 4.848 4.639 1.00 3.34 C ATOM 2212 CG2 ILE A 144 -11.816 4.978 4.787 1.00 72.23 C ATOM 2213 CD1 ILE A 144 -15.603 5.669 4.673 1.00 64.13 C ATOM 0 H ILE A 144 -13.542 3.186 6.413 1.00 62.24 H new ATOM 0 HA ILE A 144 -12.231 5.558 7.350 1.00 52.12 H new ATOM 0 HB ILE A 144 -13.200 6.561 5.239 1.00 33.24 H new ATOM 0 HG12 ILE A 144 -14.045 4.681 3.599 1.00 3.34 H new ATOM 0 HG13 ILE A 144 -14.527 3.870 5.076 1.00 3.34 H new ATOM 0 HG21 ILE A 144 -11.799 5.178 3.716 1.00 72.23 H new ATOM 0 HG22 ILE A 144 -10.981 5.490 5.265 1.00 72.23 H new ATOM 0 HG23 ILE A 144 -11.729 3.905 4.957 1.00 72.23 H new ATOM 0 HD11 ILE A 144 -16.388 5.143 4.129 1.00 64.13 H new ATOM 0 HD12 ILE A 144 -15.914 5.815 5.707 1.00 64.13 H new ATOM 0 HD13 ILE A 144 -15.425 6.638 4.207 1.00 64.13 H new ATOM 2225 N GLY A 145 -15.204 5.265 8.247 1.00 33.32 N ATOM 2226 CA GLY A 145 -16.317 5.904 8.954 1.00 13.14 C ATOM 2227 C GLY A 145 -17.686 5.492 8.421 1.00 21.21 C ATOM 2228 O GLY A 145 -18.511 4.949 9.164 1.00 34.44 O ATOM 0 H GLY A 145 -15.178 4.249 8.330 1.00 33.32 H new ATOM 0 HA2 GLY A 145 -16.257 5.654 10.013 1.00 13.14 H new ATOM 0 HA3 GLY A 145 -16.215 6.986 8.875 1.00 13.14 H new ATOM 2232 N SER A 146 -17.936 5.774 7.141 1.00 1.01 N ATOM 2233 CA SER A 146 -19.199 5.403 6.476 1.00 43.22 C ATOM 2234 C SER A 146 -20.413 6.071 7.133 1.00 61.03 C ATOM 2235 O SER A 146 -20.373 7.258 7.481 1.00 72.23 O ATOM 2236 CB SER A 146 -19.383 3.878 6.473 1.00 54.31 C ATOM 2237 OG SER A 146 -20.622 3.504 5.888 1.00 74.50 O ATOM 0 H SER A 146 -17.277 6.263 6.534 1.00 1.01 H new ATOM 0 HA SER A 146 -19.135 5.761 5.448 1.00 43.22 H new ATOM 0 HB2 SER A 146 -18.565 3.413 5.923 1.00 54.31 H new ATOM 0 HB3 SER A 146 -19.334 3.503 7.495 1.00 54.31 H new ATOM 0 HG SER A 146 -20.708 2.528 5.900 1.00 74.50 H new TER 2243 SER A 146