USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot -63:sc= 0.477 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0.388 F(o=0.044,f=0.86) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 121:sc= 0.947 USER MOD Set 3.2: A 93 THR OG1 : rot 69:sc= 0.444 USER MOD Set 4.1: A 73 THR OG1 : rot -74:sc= 0.525 USER MOD Set 4.2: A 75 THR OG1 : rot -28:sc= 0.549 USER MOD Set 5.1: A 47 HIS : no HE2:sc= 0.0795 K(o=0.16,f=-0.79) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0.0812 USER MOD Set 6.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 60 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Set 7.1: A 2 SER OG : rot 28:sc= 0.51 USER MOD Set 7.2: A 4 SER OG : rot -84:sc= 0.46 USER MOD Set 7.3: A 43 GLN : amide:sc= 0.47 K(o=1.4,f=-1.6!) USER MOD Set 8.1: A 30 GLN : amide:sc= 1.37 K(o=2.3,f=-2.7) USER MOD Set 8.2: A 33 LYS NZ :NH3+ -146:sc= 0.912 (180deg=0) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0715) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.641) USER MOD Single : A 7 TYR OH : rot -165:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.44) USER MOD Single : A -4 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HE2:sc= 0.611 K(o=0.61,f=-2!) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A -7 HIS N :NH3+ -147:sc= 0.0772 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.307 X(o=0.31,f=-0.024) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 ASN : amide:sc= 0.782 K(o=0.78,f=-0.063) USER MOD Single : A 19 MET CE :methyl 153:sc= -0.298 (180deg=-0.636) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 140:sc= 0.00183 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0.289 (180deg=0.23) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.29 (180deg=0.262) USER MOD Single : A 61 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.056) USER MOD Single : A 69 CYS SG : rot 15:sc= -0.106 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 0.98 (180deg=0.847) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.34) USER MOD Single : A 89 ASN : amide:sc= 0.285 X(o=0.28,f=-0.033) USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= 1.03 (180deg=0.769) USER MOD Single : A 94 THR OG1 : rot 28:sc= 0.351 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0.426 (180deg=0.426) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000976) USER MOD Single : A 105 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -172:sc= 0.832 (180deg=0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 5.017 -18.395 15.475 1.00 53.54 N ATOM 2 CA HIS A -7 3.782 -19.168 15.118 1.00 73.55 C ATOM 3 C HIS A -7 4.317 -20.589 14.783 1.00 35.32 C ATOM 4 O HIS A -7 5.149 -21.124 15.520 1.00 32.42 O ATOM 5 CB HIS A -7 2.951 -18.495 13.993 1.00 14.45 C ATOM 6 CG HIS A -7 2.493 -17.083 14.273 1.00 61.54 C ATOM 7 ND1 HIS A -7 1.936 -16.693 15.480 1.00 44.13 N ATOM 8 CD2 HIS A -7 2.509 -15.948 13.489 1.00 52.03 C ATOM 9 CE1 HIS A -7 1.652 -15.391 15.381 1.00 12.44 C ATOM 10 NE2 HIS A -7 1.976 -14.871 14.202 1.00 53.30 N ATOM 0 H1 HIS A -7 4.786 -17.689 16.203 1.00 53.54 H new ATOM 0 H2 HIS A -7 5.741 -19.046 15.841 1.00 53.54 H new ATOM 0 H3 HIS A -7 5.382 -17.913 14.629 1.00 53.54 H new ATOM 0 HA HIS A -7 3.053 -19.208 15.928 1.00 73.55 H new ATOM 0 HB2 HIS A -7 3.546 -18.490 13.080 1.00 14.45 H new ATOM 0 HB3 HIS A -7 2.073 -19.110 13.797 1.00 14.45 H new ATOM 0 HD2 HIS A -7 2.878 -15.899 12.475 1.00 52.03 H new ATOM 0 HE1 HIS A -7 1.204 -14.819 16.180 1.00 12.44 H new ATOM 0 HE2 HIS A -7 1.862 -13.907 13.889 1.00 53.30 H new ATOM 18 N HIS A -6 3.738 -21.231 13.754 1.00 53.05 N ATOM 19 CA HIS A -6 4.133 -22.528 13.201 1.00 35.03 C ATOM 20 C HIS A -6 4.182 -22.408 11.669 1.00 24.41 C ATOM 21 O HIS A -6 3.337 -21.723 11.088 1.00 34.34 O ATOM 22 CB HIS A -6 3.121 -23.623 13.615 1.00 51.31 C ATOM 23 CG HIS A -6 3.405 -24.369 14.899 1.00 14.31 C ATOM 24 ND1 HIS A -6 4.039 -23.808 15.993 1.00 73.41 N ATOM 25 CD2 HIS A -6 3.158 -25.677 15.256 1.00 23.21 C ATOM 26 CE1 HIS A -6 4.134 -24.754 16.931 1.00 72.24 C ATOM 27 NE2 HIS A -6 3.617 -25.917 16.553 1.00 72.33 N ATOM 0 H HIS A -6 2.938 -20.833 13.262 1.00 53.05 H new ATOM 0 HA HIS A -6 5.113 -22.809 13.587 1.00 35.03 H new ATOM 0 HB2 HIS A -6 2.138 -23.160 13.702 1.00 51.31 H new ATOM 0 HB3 HIS A -6 3.060 -24.351 12.806 1.00 51.31 H new ATOM 0 HD1 HIS A -6 4.373 -22.847 16.069 1.00 73.41 H new ATOM 0 HD2 HIS A -6 2.679 -26.410 14.624 1.00 23.21 H new ATOM 0 HE1 HIS A -6 4.585 -24.590 17.898 1.00 72.24 H new ATOM 35 N HIS A -5 5.147 -23.106 11.054 1.00 50.43 N ATOM 36 CA HIS A -5 5.328 -23.202 9.604 1.00 55.13 C ATOM 37 C HIS A -5 5.276 -24.682 9.200 1.00 13.31 C ATOM 38 O HIS A -5 5.845 -25.517 9.907 1.00 52.24 O ATOM 39 CB HIS A -5 6.695 -22.599 9.211 1.00 1.34 C ATOM 40 CG HIS A -5 6.898 -21.137 9.537 1.00 10.41 C ATOM 41 ND1 HIS A -5 8.157 -20.591 9.720 1.00 13.43 N ATOM 42 CD2 HIS A -5 6.016 -20.092 9.713 1.00 10.01 C ATOM 43 CE1 HIS A -5 7.990 -19.296 10.002 1.00 62.12 C ATOM 44 NE2 HIS A -5 6.717 -18.923 10.020 1.00 1.30 N ATOM 0 H HIS A -5 5.846 -23.637 11.573 1.00 50.43 H new ATOM 0 HA HIS A -5 4.539 -22.651 9.092 1.00 55.13 H new ATOM 0 HB2 HIS A -5 7.478 -23.173 9.707 1.00 1.34 H new ATOM 0 HB3 HIS A -5 6.833 -22.733 8.138 1.00 1.34 H new ATOM 0 HD2 HIS A -5 4.942 -20.166 9.626 1.00 10.01 H new ATOM 0 HE1 HIS A -5 8.810 -18.620 10.196 1.00 62.12 H new ATOM 0 HE2 HIS A -5 6.337 -17.996 10.213 1.00 1.30 H new ATOM 52 N HIS A -4 4.614 -24.973 8.067 1.00 5.50 N ATOM 53 CA HIS A -4 4.474 -26.329 7.524 1.00 1.40 C ATOM 54 C HIS A -4 4.530 -26.361 5.988 1.00 2.12 C ATOM 55 O HIS A -4 4.999 -27.359 5.440 1.00 34.13 O ATOM 56 CB HIS A -4 3.162 -26.989 8.011 1.00 34.44 C ATOM 57 CG HIS A -4 3.040 -27.188 9.503 1.00 60.11 C ATOM 58 ND1 HIS A -4 2.225 -26.403 10.301 1.00 43.31 N ATOM 59 CD2 HIS A -4 3.613 -28.110 10.352 1.00 2.15 C ATOM 60 CE1 HIS A -4 2.336 -26.864 11.549 1.00 64.34 C ATOM 61 NE2 HIS A -4 3.165 -27.894 11.657 1.00 55.02 N ATOM 0 H HIS A -4 4.156 -24.261 7.497 1.00 5.50 H new ATOM 0 HA HIS A -4 5.326 -26.896 7.898 1.00 1.40 H new ATOM 0 HB2 HIS A -4 2.324 -26.378 7.675 1.00 34.44 H new ATOM 0 HB3 HIS A -4 3.064 -27.960 7.525 1.00 34.44 H new ATOM 0 HD2 HIS A -4 4.305 -28.884 10.053 1.00 2.15 H new ATOM 0 HE1 HIS A -4 1.804 -26.440 12.388 1.00 64.34 H new ATOM 0 HE2 HIS A -4 3.417 -28.410 12.500 1.00 55.02 H new ATOM 69 N HIS A -3 4.036 -25.302 5.320 1.00 31.43 N ATOM 70 CA HIS A -3 3.923 -25.234 3.860 1.00 62.02 C ATOM 71 C HIS A -3 5.269 -25.018 3.145 1.00 24.05 C ATOM 72 O HIS A -3 6.264 -24.642 3.768 1.00 33.32 O ATOM 73 CB HIS A -3 2.873 -24.167 3.471 1.00 13.35 C ATOM 74 CG HIS A -3 3.179 -22.727 3.824 1.00 62.32 C ATOM 75 ND1 HIS A -3 4.208 -21.998 3.246 1.00 40.41 N ATOM 76 CD2 HIS A -3 2.555 -21.854 4.689 1.00 42.41 C ATOM 77 CE1 HIS A -3 4.168 -20.771 3.769 1.00 21.53 C ATOM 78 NE2 HIS A -3 3.189 -20.610 4.651 1.00 24.14 N ATOM 0 H HIS A -3 3.701 -24.461 5.790 1.00 31.43 H new ATOM 0 HA HIS A -3 3.584 -26.209 3.512 1.00 62.02 H new ATOM 0 HB2 HIS A -3 2.718 -24.224 2.394 1.00 13.35 H new ATOM 0 HB3 HIS A -3 1.928 -24.436 3.943 1.00 13.35 H new ATOM 0 HD2 HIS A -3 1.702 -22.096 5.305 1.00 42.41 H new ATOM 0 HE1 HIS A -3 4.862 -19.988 3.502 1.00 21.53 H new ATOM 0 HE2 HIS A -3 2.954 -19.770 5.180 1.00 24.14 H new ATOM 86 N HIS A -2 5.239 -25.240 1.824 1.00 21.35 N ATOM 87 CA HIS A -2 6.379 -25.130 0.910 1.00 55.22 C ATOM 88 C HIS A -2 6.041 -24.285 -0.338 1.00 65.41 C ATOM 89 O HIS A -2 6.801 -24.315 -1.304 1.00 24.41 O ATOM 90 CB HIS A -2 6.895 -26.551 0.581 1.00 73.10 C ATOM 91 CG HIS A -2 5.829 -27.560 0.221 1.00 43.54 C ATOM 92 ND1 HIS A -2 5.117 -27.522 -0.967 1.00 70.30 N ATOM 93 CD2 HIS A -2 5.331 -28.642 0.916 1.00 25.05 C ATOM 94 CE1 HIS A -2 4.248 -28.536 -0.937 1.00 11.32 C ATOM 95 NE2 HIS A -2 4.319 -29.256 0.176 1.00 4.13 N ATOM 0 H HIS A -2 4.381 -25.513 1.344 1.00 21.35 H new ATOM 0 HA HIS A -2 7.189 -24.585 1.395 1.00 55.22 H new ATOM 0 HB2 HIS A -2 7.600 -26.481 -0.248 1.00 73.10 H new ATOM 0 HB3 HIS A -2 7.451 -26.926 1.441 1.00 73.10 H new ATOM 0 HD2 HIS A -2 5.673 -28.966 1.888 1.00 25.05 H new ATOM 0 HE1 HIS A -2 3.556 -28.749 -1.739 1.00 11.32 H new ATOM 0 HE2 HIS A -2 3.762 -30.071 0.432 1.00 4.13 H new ATOM 103 N VAL A -1 4.925 -23.531 -0.292 1.00 10.11 N ATOM 104 CA VAL A -1 4.513 -22.571 -1.319 1.00 42.51 C ATOM 105 C VAL A -1 5.163 -21.190 -1.086 1.00 22.22 C ATOM 106 O VAL A -1 5.547 -20.876 0.043 1.00 4.13 O ATOM 107 CB VAL A -1 2.966 -22.399 -1.332 1.00 30.15 C ATOM 108 CG1 VAL A -1 2.262 -23.716 -1.706 1.00 3.44 C ATOM 109 CG2 VAL A -1 2.361 -21.800 -0.045 1.00 3.34 C ATOM 0 H VAL A -1 4.269 -23.580 0.488 1.00 10.11 H new ATOM 0 HA VAL A -1 4.845 -22.969 -2.278 1.00 42.51 H new ATOM 0 HB VAL A -1 2.780 -21.654 -2.105 1.00 30.15 H new ATOM 0 HG11 VAL A -1 1.183 -23.564 -1.707 1.00 3.44 H new ATOM 0 HG12 VAL A -1 2.585 -24.032 -2.698 1.00 3.44 H new ATOM 0 HG13 VAL A -1 2.520 -24.486 -0.978 1.00 3.44 H new ATOM 0 HG21 VAL A -1 1.279 -21.721 -0.154 1.00 3.34 H new ATOM 0 HG22 VAL A -1 2.594 -22.446 0.801 1.00 3.34 H new ATOM 0 HG23 VAL A -1 2.782 -20.809 0.128 1.00 3.34 H new ATOM 119 N ALA A 0 5.271 -20.395 -2.166 1.00 63.02 N ATOM 120 CA ALA A 0 5.978 -19.113 -2.185 1.00 75.14 C ATOM 121 C ALA A 0 5.185 -18.024 -2.932 1.00 52.10 C ATOM 122 O ALA A 0 5.762 -17.295 -3.738 1.00 75.20 O ATOM 123 CB ALA A 0 7.392 -19.332 -2.756 1.00 24.12 C ATOM 0 H ALA A 0 4.858 -20.636 -3.067 1.00 63.02 H new ATOM 0 HA ALA A 0 6.075 -18.737 -1.166 1.00 75.14 H new ATOM 0 HB1 ALA A 0 7.928 -18.383 -2.775 1.00 24.12 H new ATOM 0 HB2 ALA A 0 7.932 -20.041 -2.129 1.00 24.12 H new ATOM 0 HB3 ALA A 0 7.318 -19.727 -3.769 1.00 24.12 H new ATOM 129 N MET A 1 3.880 -17.917 -2.627 1.00 5.35 N ATOM 130 CA MET A 1 2.981 -16.878 -3.149 1.00 75.43 C ATOM 131 C MET A 1 2.158 -16.237 -2.016 1.00 42.13 C ATOM 132 O MET A 1 0.996 -15.886 -2.223 1.00 51.24 O ATOM 133 CB MET A 1 2.120 -17.433 -4.311 1.00 62.32 C ATOM 134 CG MET A 1 2.885 -17.635 -5.631 1.00 43.24 C ATOM 135 SD MET A 1 3.661 -16.147 -6.340 1.00 51.02 S ATOM 136 CE MET A 1 2.206 -15.126 -6.685 1.00 72.33 C ATOM 0 H MET A 1 3.412 -18.567 -1.995 1.00 5.35 H new ATOM 0 HA MET A 1 3.577 -16.070 -3.573 1.00 75.43 H new ATOM 0 HB2 MET A 1 1.690 -18.387 -4.005 1.00 62.32 H new ATOM 0 HB3 MET A 1 1.288 -16.751 -4.488 1.00 62.32 H new ATOM 0 HG2 MET A 1 3.661 -18.382 -5.467 1.00 43.24 H new ATOM 0 HG3 MET A 1 2.196 -18.047 -6.368 1.00 43.24 H new ATOM 0 HE1 MET A 1 2.509 -14.235 -7.235 1.00 72.33 H new ATOM 0 HE2 MET A 1 1.494 -15.697 -7.282 1.00 72.33 H new ATOM 0 HE3 MET A 1 1.738 -14.831 -5.746 1.00 72.33 H new ATOM 146 N SER A 2 2.797 -16.046 -0.850 1.00 23.44 N ATOM 147 CA SER A 2 2.252 -15.273 0.264 1.00 34.33 C ATOM 148 C SER A 2 2.755 -13.824 0.178 1.00 60.43 C ATOM 149 O SER A 2 3.941 -13.596 -0.073 1.00 70.02 O ATOM 150 CB SER A 2 2.656 -15.940 1.593 1.00 73.21 C ATOM 151 OG SER A 2 2.111 -15.250 2.703 1.00 2.05 O ATOM 0 H SER A 2 3.721 -16.433 -0.658 1.00 23.44 H new ATOM 0 HA SER A 2 1.163 -15.252 0.214 1.00 34.33 H new ATOM 0 HB2 SER A 2 2.313 -16.975 1.602 1.00 73.21 H new ATOM 0 HB3 SER A 2 3.743 -15.963 1.675 1.00 73.21 H new ATOM 0 HG SER A 2 1.277 -14.810 2.437 1.00 2.05 H new ATOM 157 N PHE A 3 1.840 -12.878 0.440 1.00 23.45 N ATOM 158 CA PHE A 3 2.110 -11.447 0.577 1.00 2.14 C ATOM 159 C PHE A 3 3.007 -11.083 1.774 1.00 52.53 C ATOM 160 O PHE A 3 3.541 -9.977 1.779 1.00 51.21 O ATOM 161 CB PHE A 3 0.778 -10.683 0.691 1.00 34.04 C ATOM 162 CG PHE A 3 0.002 -10.450 -0.594 1.00 74.30 C ATOM 163 CD1 PHE A 3 0.166 -9.242 -1.308 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.816 -11.463 -1.134 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.554 -9.026 -2.475 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.519 -11.229 -2.309 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.403 -10.009 -2.962 1.00 64.41 C ATOM 0 H PHE A 3 0.853 -13.103 0.566 1.00 23.45 H new ATOM 0 HA PHE A 3 2.661 -11.157 -0.318 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.134 -11.227 1.381 1.00 34.04 H new ATOM 0 HB3 PHE A 3 0.982 -9.713 1.144 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.850 -8.488 -0.947 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -0.896 -12.418 -0.636 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.453 -8.090 -3.005 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.158 -11.999 -2.716 1.00 22.04 H new ATOM 0 HZ PHE A 3 -1.979 -9.824 -3.857 1.00 64.41 H new ATOM 177 N SER A 4 3.150 -11.990 2.759 1.00 22.24 N ATOM 178 CA SER A 4 3.970 -11.806 3.957 1.00 22.20 C ATOM 179 C SER A 4 5.459 -11.548 3.638 1.00 22.44 C ATOM 180 O SER A 4 6.046 -12.276 2.838 1.00 34.43 O ATOM 181 CB SER A 4 3.745 -12.991 4.922 1.00 73.43 C ATOM 182 OG SER A 4 4.300 -14.206 4.457 1.00 61.14 O ATOM 0 H SER A 4 2.681 -12.896 2.736 1.00 22.24 H new ATOM 0 HA SER A 4 3.646 -10.895 4.460 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.180 -12.749 5.891 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.675 -13.125 5.078 1.00 73.43 H new ATOM 0 HG SER A 4 3.668 -14.643 3.849 1.00 61.14 H new ATOM 188 N GLY A 5 6.028 -10.505 4.262 1.00 55.21 N ATOM 189 CA GLY A 5 7.407 -10.080 4.032 1.00 62.30 C ATOM 190 C GLY A 5 7.555 -8.580 4.316 1.00 12.11 C ATOM 191 O GLY A 5 6.615 -7.912 4.751 1.00 5.45 O ATOM 0 H GLY A 5 5.535 -9.931 4.946 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.081 -10.647 4.674 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.693 -10.292 3.002 1.00 62.30 H new ATOM 195 N LYS A 6 8.764 -8.059 4.058 1.00 62.03 N ATOM 196 CA LYS A 6 9.152 -6.668 4.287 1.00 45.11 C ATOM 197 C LYS A 6 9.852 -6.141 3.027 1.00 1.54 C ATOM 198 O LYS A 6 10.679 -6.856 2.464 1.00 41.23 O ATOM 199 CB LYS A 6 10.046 -6.619 5.540 1.00 53.32 C ATOM 200 CG LYS A 6 10.329 -5.208 6.076 1.00 72.05 C ATOM 201 CD LYS A 6 11.028 -5.267 7.447 1.00 60.24 C ATOM 202 CE LYS A 6 11.130 -3.920 8.174 1.00 31.03 C ATOM 203 NZ LYS A 6 9.800 -3.362 8.476 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.523 -8.619 3.670 1.00 62.03 H new ATOM 0 HA LYS A 6 8.291 -6.025 4.470 1.00 45.11 H new ATOM 0 HB2 LYS A 6 9.573 -7.204 6.329 1.00 53.32 H new ATOM 0 HB3 LYS A 6 10.996 -7.102 5.310 1.00 53.32 H new ATOM 0 HG2 LYS A 6 10.955 -4.665 5.368 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.394 -4.655 6.164 1.00 72.05 H new ATOM 0 HD2 LYS A 6 10.489 -5.968 8.084 1.00 60.24 H new ATOM 0 HD3 LYS A 6 12.033 -5.667 7.310 1.00 60.24 H new ATOM 0 HE2 LYS A 6 11.690 -4.048 9.100 1.00 31.03 H new ATOM 0 HE3 LYS A 6 11.689 -3.215 7.558 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 9.878 -2.683 9.260 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 9.427 -2.878 7.634 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 9.154 -4.131 8.747 1.00 25.41 H new ATOM 217 N TYR A 7 9.469 -4.930 2.588 1.00 52.01 N ATOM 218 CA TYR A 7 9.732 -4.413 1.244 1.00 55.21 C ATOM 219 C TYR A 7 10.164 -2.939 1.305 1.00 73.55 C ATOM 220 O TYR A 7 9.365 -2.103 1.721 1.00 72.24 O ATOM 221 CB TYR A 7 8.448 -4.552 0.381 1.00 63.20 C ATOM 222 CG TYR A 7 7.755 -5.904 0.399 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.109 -6.887 -0.544 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.750 -6.183 1.351 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.494 -8.152 -0.517 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.128 -7.448 1.375 1.00 34.11 C ATOM 227 CZ TYR A 7 6.514 -8.436 0.448 1.00 61.45 C ATOM 228 OH TYR A 7 5.941 -9.670 0.469 1.00 53.42 O ATOM 0 H TYR A 7 8.956 -4.272 3.175 1.00 52.01 H new ATOM 0 HA TYR A 7 10.541 -4.989 0.795 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.733 -3.799 0.712 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.705 -4.315 -0.652 1.00 63.20 H new ATOM 0 HD1 TYR A 7 8.857 -6.669 -1.292 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.457 -5.425 2.063 1.00 23.35 H new ATOM 0 HE1 TYR A 7 7.776 -8.905 -1.238 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.358 -7.659 2.102 1.00 34.11 H new ATOM 0 HH TYR A 7 5.131 -9.645 1.020 1.00 53.42 H new ATOM 238 N GLN A 8 11.385 -2.621 0.845 1.00 1.02 N ATOM 239 CA GLN A 8 11.858 -1.238 0.698 1.00 62.04 C ATOM 240 C GLN A 8 11.241 -0.589 -0.557 1.00 10.20 C ATOM 241 O GLN A 8 11.166 -1.249 -1.593 1.00 44.43 O ATOM 242 CB GLN A 8 13.399 -1.230 0.610 1.00 2.50 C ATOM 243 CG GLN A 8 14.039 0.179 0.614 1.00 63.23 C ATOM 244 CD GLN A 8 15.381 0.206 -0.117 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.355 -0.385 0.340 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.436 0.898 -1.257 1.00 2.00 N ATOM 0 H GLN A 8 12.073 -3.320 0.564 1.00 1.02 H new ATOM 0 HA GLN A 8 11.547 -0.657 1.567 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.800 -1.799 1.449 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.700 -1.749 -0.300 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.357 0.887 0.144 1.00 63.23 H new ATOM 0 HG3 GLN A 8 14.181 0.509 1.643 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.604 1.376 -1.604 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.310 0.949 -1.781 1.00 2.00 H new ATOM 255 N LEU A 9 10.882 0.703 -0.449 1.00 0.12 N ATOM 256 CA LEU A 9 10.470 1.576 -1.551 1.00 63.33 C ATOM 257 C LEU A 9 11.576 1.714 -2.615 1.00 42.21 C ATOM 258 O LEU A 9 12.711 2.049 -2.274 1.00 34.12 O ATOM 259 CB LEU A 9 10.073 2.958 -0.971 1.00 4.51 C ATOM 260 CG LEU A 9 9.572 4.006 -1.993 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.339 3.511 -2.770 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.315 5.371 -1.321 1.00 73.22 C ATOM 0 H LEU A 9 10.872 1.183 0.451 1.00 0.12 H new ATOM 0 HA LEU A 9 9.612 1.131 -2.054 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.293 2.806 -0.225 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.936 3.372 -0.450 1.00 4.51 H new ATOM 0 HG LEU A 9 10.368 4.147 -2.724 1.00 14.33 H new ATOM 0 HD11 LEU A 9 8.022 4.278 -3.476 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.593 2.601 -3.313 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.528 3.303 -2.072 1.00 40.25 H new ATOM 0 HD21 LEU A 9 8.964 6.084 -2.067 1.00 73.22 H new ATOM 0 HD22 LEU A 9 8.559 5.257 -0.544 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.240 5.737 -0.876 1.00 73.22 H new ATOM 274 N GLN A 10 11.200 1.469 -3.879 1.00 32.14 N ATOM 275 CA GLN A 10 12.073 1.580 -5.045 1.00 23.51 C ATOM 276 C GLN A 10 11.707 2.817 -5.874 1.00 33.04 C ATOM 277 O GLN A 10 12.604 3.582 -6.229 1.00 11.12 O ATOM 278 CB GLN A 10 11.951 0.305 -5.913 1.00 41.22 C ATOM 279 CG GLN A 10 12.281 -1.017 -5.193 1.00 70.53 C ATOM 280 CD GLN A 10 13.672 -1.035 -4.554 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.671 -0.801 -5.227 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.745 -1.332 -3.254 1.00 41.31 N ATOM 0 H GLN A 10 10.252 1.180 -4.119 1.00 32.14 H new ATOM 0 HA GLN A 10 13.103 1.685 -4.704 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.934 0.245 -6.300 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.613 0.406 -6.773 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.533 -1.197 -4.421 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.207 -1.838 -5.906 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.893 -1.521 -2.725 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.652 -1.370 -2.790 1.00 41.31 H new ATOM 291 N SER A 11 10.407 2.986 -6.168 1.00 22.42 N ATOM 292 CA SER A 11 9.888 4.041 -7.038 1.00 54.22 C ATOM 293 C SER A 11 8.395 4.273 -6.758 1.00 43.15 C ATOM 294 O SER A 11 7.740 3.449 -6.122 1.00 65.41 O ATOM 295 CB SER A 11 10.178 3.667 -8.513 1.00 55.50 C ATOM 296 OG SER A 11 9.790 4.684 -9.416 1.00 21.52 O ATOM 0 H SER A 11 9.677 2.378 -5.797 1.00 22.42 H new ATOM 0 HA SER A 11 10.389 4.987 -6.834 1.00 54.22 H new ATOM 0 HB2 SER A 11 11.243 3.468 -8.631 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.652 2.745 -8.761 1.00 55.50 H new ATOM 0 HG SER A 11 9.994 4.403 -10.332 1.00 21.52 H new ATOM 302 N GLN A 12 7.887 5.413 -7.246 1.00 52.11 N ATOM 303 CA GLN A 12 6.500 5.846 -7.116 1.00 10.15 C ATOM 304 C GLN A 12 6.214 6.949 -8.143 1.00 32.44 C ATOM 305 O GLN A 12 7.069 7.808 -8.365 1.00 14.54 O ATOM 306 CB GLN A 12 6.182 6.263 -5.658 1.00 74.31 C ATOM 307 CG GLN A 12 7.150 7.293 -5.035 1.00 73.50 C ATOM 308 CD GLN A 12 6.872 7.556 -3.552 1.00 72.40 C ATOM 309 OE1 GLN A 12 5.911 7.047 -2.977 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.720 8.374 -2.925 1.00 0.03 N ATOM 0 H GLN A 12 8.459 6.082 -7.762 1.00 52.11 H new ATOM 0 HA GLN A 12 5.829 5.016 -7.335 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.173 6.674 -5.628 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.180 5.369 -5.035 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.174 6.936 -5.149 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.076 8.231 -5.585 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.507 8.779 -3.432 1.00 0.03 H new ATOM 0 HE22 GLN A 12 7.581 8.594 -1.939 1.00 0.03 H new ATOM 319 N GLU A 13 5.017 6.896 -8.747 1.00 45.34 N ATOM 320 CA GLU A 13 4.552 7.836 -9.771 1.00 24.53 C ATOM 321 C GLU A 13 3.473 8.729 -9.142 1.00 22.40 C ATOM 322 O GLU A 13 2.630 8.220 -8.406 1.00 5.02 O ATOM 323 CB GLU A 13 4.096 7.019 -11.015 1.00 33.31 C ATOM 324 CG GLU A 13 2.576 6.874 -11.277 1.00 43.25 C ATOM 325 CD GLU A 13 2.217 5.884 -12.391 1.00 23.35 C ATOM 326 OE1 GLU A 13 3.140 5.250 -12.951 1.00 25.34 O ATOM 327 OE2 GLU A 13 1.001 5.756 -12.650 1.00 32.21 O1- ATOM 0 H GLU A 13 4.328 6.176 -8.528 1.00 45.34 H new ATOM 0 HA GLU A 13 5.333 8.509 -10.127 1.00 24.53 H new ATOM 0 HB2 GLU A 13 4.544 7.477 -11.897 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.516 6.017 -10.928 1.00 33.31 H new ATOM 0 HG2 GLU A 13 2.089 6.557 -10.355 1.00 43.25 H new ATOM 0 HG3 GLU A 13 2.169 7.852 -11.532 1.00 43.25 H new ATOM 334 N ASN A 14 3.526 10.040 -9.443 1.00 13.20 N ATOM 335 CA ASN A 14 2.590 11.087 -8.992 1.00 14.42 C ATOM 336 C ASN A 14 2.470 11.195 -7.454 1.00 73.35 C ATOM 337 O ASN A 14 1.375 11.449 -6.953 1.00 12.12 O ATOM 338 CB ASN A 14 1.206 10.921 -9.684 1.00 70.55 C ATOM 339 CG ASN A 14 1.252 11.141 -11.199 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.778 12.149 -11.665 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.680 10.218 -11.972 1.00 12.33 N ATOM 0 H ASN A 14 4.262 10.418 -10.039 1.00 13.20 H new ATOM 0 HA ASN A 14 3.015 12.041 -9.304 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.825 9.920 -9.481 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.501 11.626 -9.243 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.670 10.336 -12.985 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.253 9.393 -11.550 1.00 12.33 H new ATOM 348 N PHE A 15 3.593 11.018 -6.730 1.00 42.24 N ATOM 349 CA PHE A 15 3.658 11.138 -5.268 1.00 12.22 C ATOM 350 C PHE A 15 3.249 12.521 -4.748 1.00 44.34 C ATOM 351 O PHE A 15 2.363 12.599 -3.904 1.00 11.34 O ATOM 352 CB PHE A 15 5.035 10.680 -4.729 1.00 35.14 C ATOM 353 CG PHE A 15 5.289 10.928 -3.245 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.745 10.062 -2.273 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.929 12.112 -2.816 1.00 61.51 C ATOM 356 CE1 PHE A 15 4.914 10.334 -0.921 1.00 31.02 C ATOM 357 CE2 PHE A 15 6.062 12.379 -1.459 1.00 10.43 C ATOM 358 CZ PHE A 15 5.567 11.490 -0.515 1.00 3.43 C ATOM 0 H PHE A 15 4.491 10.785 -7.155 1.00 42.24 H new ATOM 0 HA PHE A 15 2.907 10.457 -4.868 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.142 9.613 -4.922 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.813 11.186 -5.300 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.195 9.185 -2.581 1.00 63.43 H new ATOM 0 HD2 PHE A 15 6.315 12.810 -3.544 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.536 9.643 -0.182 1.00 31.02 H new ATOM 0 HE2 PHE A 15 6.554 13.285 -1.136 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.690 11.698 0.538 1.00 3.43 H new ATOM 368 N GLU A 16 3.887 13.575 -5.281 1.00 1.55 N ATOM 369 CA GLU A 16 3.667 14.963 -4.875 1.00 11.22 C ATOM 370 C GLU A 16 2.255 15.482 -5.203 1.00 51.52 C ATOM 371 O GLU A 16 1.740 16.305 -4.450 1.00 62.13 O ATOM 372 CB GLU A 16 4.764 15.861 -5.484 1.00 73.44 C ATOM 373 CG GLU A 16 6.196 15.439 -5.091 1.00 44.03 C ATOM 374 CD GLU A 16 7.256 16.359 -5.694 1.00 73.15 C ATOM 375 OE1 GLU A 16 7.793 17.196 -4.935 1.00 1.33 O ATOM 376 OE2 GLU A 16 7.520 16.200 -6.906 1.00 53.41 O1- ATOM 0 H GLU A 16 4.583 13.479 -6.020 1.00 1.55 H new ATOM 0 HA GLU A 16 3.735 15.000 -3.788 1.00 11.22 H new ATOM 0 HB2 GLU A 16 4.674 15.844 -6.570 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.597 16.890 -5.166 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.289 15.444 -4.005 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.375 14.416 -5.422 1.00 44.03 H new ATOM 383 N ALA A 17 1.645 14.966 -6.286 1.00 1.05 N ATOM 384 CA ALA A 17 0.269 15.258 -6.687 1.00 12.24 C ATOM 385 C ALA A 17 -0.776 14.546 -5.811 1.00 4.04 C ATOM 386 O ALA A 17 -1.798 15.153 -5.497 1.00 65.25 O ATOM 387 CB ALA A 17 0.084 14.881 -8.164 1.00 32.13 C ATOM 0 H ALA A 17 2.114 14.318 -6.919 1.00 1.05 H new ATOM 0 HA ALA A 17 0.103 16.326 -6.548 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -0.940 15.096 -8.469 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.775 15.461 -8.777 1.00 32.13 H new ATOM 0 HB3 ALA A 17 0.286 13.818 -8.296 1.00 32.13 H new ATOM 393 N PHE A 18 -0.501 13.287 -5.429 1.00 52.01 N ATOM 394 CA PHE A 18 -1.368 12.457 -4.589 1.00 64.21 C ATOM 395 C PHE A 18 -1.346 12.859 -3.110 1.00 44.51 C ATOM 396 O PHE A 18 -2.402 12.883 -2.480 1.00 52.34 O ATOM 397 CB PHE A 18 -1.005 10.975 -4.802 1.00 12.02 C ATOM 398 CG PHE A 18 -1.796 9.960 -3.992 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.230 9.364 -2.846 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.138 9.676 -4.323 1.00 22.11 C ATOM 401 CE1 PHE A 18 -1.975 8.468 -2.091 1.00 10.12 C ATOM 402 CE2 PHE A 18 -3.866 8.776 -3.555 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.284 8.170 -2.447 1.00 10.15 C ATOM 0 H PHE A 18 0.356 12.809 -5.706 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.400 12.620 -4.899 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.132 10.741 -5.859 1.00 12.02 H new ATOM 0 HB3 PHE A 18 0.053 10.846 -4.571 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.218 9.604 -2.556 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.599 10.158 -5.173 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.534 8.001 -1.223 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -4.888 8.546 -3.819 1.00 65.33 H new ATOM 0 HZ PHE A 18 -3.853 7.464 -1.860 1.00 10.15 H new ATOM 413 N MET A 19 -0.151 13.193 -2.603 1.00 62.31 N ATOM 414 CA MET A 19 0.073 13.658 -1.236 1.00 51.31 C ATOM 415 C MET A 19 -0.472 15.085 -1.008 1.00 14.44 C ATOM 416 O MET A 19 -0.889 15.394 0.105 1.00 65.41 O ATOM 417 CB MET A 19 1.573 13.495 -0.908 1.00 62.30 C ATOM 418 CG MET A 19 1.899 13.226 0.571 1.00 22.14 C ATOM 419 SD MET A 19 1.175 11.741 1.339 1.00 35.13 S ATOM 420 CE MET A 19 1.260 10.505 0.017 1.00 52.42 C ATOM 0 H MET A 19 0.707 13.144 -3.152 1.00 62.31 H new ATOM 0 HA MET A 19 -0.495 13.048 -0.534 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.971 12.675 -1.505 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.096 14.399 -1.219 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.983 13.161 0.669 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.578 14.093 1.149 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.316 9.508 0.454 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.369 10.578 -0.607 1.00 52.42 H new ATOM 0 HE3 MET A 19 2.146 10.684 -0.592 1.00 52.42 H new ATOM 430 N LYS A 20 -0.537 15.898 -2.080 1.00 1.35 N ATOM 431 CA LYS A 20 -1.255 17.173 -2.125 1.00 40.15 C ATOM 432 C LYS A 20 -2.784 16.966 -2.137 1.00 62.15 C ATOM 433 O LYS A 20 -3.484 17.691 -1.431 1.00 53.14 O ATOM 434 CB LYS A 20 -0.780 17.971 -3.363 1.00 35.11 C ATOM 435 CG LYS A 20 -1.416 19.366 -3.571 1.00 52.34 C ATOM 436 CD LYS A 20 -1.531 19.772 -5.053 1.00 1.33 C ATOM 437 CE LYS A 20 -0.201 19.840 -5.823 1.00 34.32 C ATOM 438 NZ LYS A 20 0.675 20.908 -5.311 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.076 15.673 -2.961 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.030 17.741 -1.223 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.301 18.096 -3.294 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -0.976 17.371 -4.252 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.409 19.375 -3.122 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.820 20.111 -3.043 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -2.187 19.062 -5.557 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -2.014 20.748 -5.109 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.312 18.881 -5.747 1.00 34.32 H new ATOM 0 HE3 LYS A 20 -0.402 20.011 -6.881 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 1.561 20.921 -5.856 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 0.196 21.826 -5.407 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 0.888 20.732 -4.308 1.00 60.21 H new ATOM 452 N ALA A 21 -3.269 15.997 -2.939 1.00 12.13 N ATOM 453 CA ALA A 21 -4.693 15.711 -3.146 1.00 12.14 C ATOM 454 C ALA A 21 -5.431 15.203 -1.897 1.00 25.12 C ATOM 455 O ALA A 21 -6.599 15.549 -1.722 1.00 2.15 O ATOM 456 CB ALA A 21 -4.863 14.724 -4.311 1.00 42.34 C ATOM 0 H ALA A 21 -2.660 15.378 -3.473 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.159 16.666 -3.386 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -5.923 14.516 -4.460 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.448 15.159 -5.220 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.340 13.796 -4.081 1.00 42.34 H new ATOM 462 N ILE A 22 -4.740 14.427 -1.043 1.00 75.12 N ATOM 463 CA ILE A 22 -5.258 13.982 0.256 1.00 35.51 C ATOM 464 C ILE A 22 -5.159 15.065 1.356 1.00 73.45 C ATOM 465 O ILE A 22 -5.827 14.926 2.379 1.00 23.31 O ATOM 466 CB ILE A 22 -4.553 12.689 0.752 1.00 70.33 C ATOM 467 CG1 ILE A 22 -3.042 12.869 1.022 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.836 11.512 -0.205 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.364 11.629 1.610 1.00 1.15 C ATOM 0 H ILE A 22 -3.798 14.090 -1.240 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.313 13.774 0.080 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.986 12.453 1.724 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.545 13.134 0.089 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.903 13.706 1.706 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.333 10.617 0.161 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.910 11.331 -0.252 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.465 11.755 -1.201 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.306 11.835 1.771 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.833 11.374 2.561 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.470 10.794 0.918 1.00 1.15 H new ATOM 481 N GLY A 23 -4.382 16.136 1.115 1.00 70.33 N ATOM 482 CA GLY A 23 -4.364 17.331 1.952 1.00 22.51 C ATOM 483 C GLY A 23 -3.218 17.353 2.974 1.00 33.33 C ATOM 484 O GLY A 23 -3.301 18.147 3.912 1.00 32.51 O ATOM 0 H GLY A 23 -3.744 16.188 0.321 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.285 18.210 1.313 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.313 17.406 2.482 1.00 22.51 H new ATOM 488 N LEU A 24 -2.154 16.539 2.815 1.00 51.21 N ATOM 489 CA LEU A 24 -0.929 16.655 3.625 1.00 40.21 C ATOM 490 C LEU A 24 -0.195 17.976 3.295 1.00 64.14 C ATOM 491 O LEU A 24 -0.146 18.346 2.119 1.00 12.25 O ATOM 492 CB LEU A 24 0.015 15.442 3.383 1.00 21.34 C ATOM 493 CG LEU A 24 0.050 14.431 4.550 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.301 13.716 4.716 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.229 13.444 4.431 1.00 73.21 C ATOM 0 H LEU A 24 -2.122 15.788 2.125 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.215 16.660 4.677 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.300 14.925 2.477 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.025 15.811 3.205 1.00 21.34 H new ATOM 0 HG LEU A 24 0.223 14.999 5.464 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.241 13.012 5.546 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -2.079 14.451 4.920 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.542 13.177 3.800 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.212 12.753 5.274 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.142 12.883 3.500 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.168 13.997 4.435 1.00 73.21 H new ATOM 507 N PRO A 25 0.374 18.658 4.321 1.00 71.41 N ATOM 508 CA PRO A 25 1.162 19.888 4.114 1.00 32.11 C ATOM 509 C PRO A 25 2.434 19.614 3.298 1.00 31.01 C ATOM 510 O PRO A 25 3.037 18.553 3.470 1.00 43.43 O ATOM 511 CB PRO A 25 1.481 20.360 5.542 1.00 31.20 C ATOM 512 CG PRO A 25 1.488 19.091 6.376 1.00 71.02 C ATOM 513 CD PRO A 25 0.395 18.251 5.729 1.00 65.43 C ATOM 0 HA PRO A 25 0.625 20.642 3.539 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.445 20.867 5.585 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.733 21.066 5.902 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.456 18.590 6.341 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.272 19.296 7.425 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.608 17.186 5.827 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.570 18.428 6.204 1.00 65.43 H new ATOM 521 N GLU A 26 2.800 20.554 2.409 1.00 4.45 N ATOM 522 CA GLU A 26 3.903 20.386 1.456 1.00 4.32 C ATOM 523 C GLU A 26 5.279 20.150 2.116 1.00 42.12 C ATOM 524 O GLU A 26 6.127 19.517 1.499 1.00 64.11 O ATOM 525 CB GLU A 26 3.946 21.565 0.461 1.00 30.35 C ATOM 526 CG GLU A 26 4.646 21.195 -0.866 1.00 51.21 C ATOM 527 CD GLU A 26 5.015 22.408 -1.715 1.00 74.13 C ATOM 528 OE1 GLU A 26 6.224 22.550 -1.997 1.00 53.40 O ATOM 529 OE2 GLU A 26 4.084 23.163 -2.073 1.00 73.13 O1- ATOM 0 H GLU A 26 2.333 21.458 2.334 1.00 4.45 H new ATOM 0 HA GLU A 26 3.691 19.467 0.909 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.929 21.896 0.251 1.00 30.35 H new ATOM 0 HB3 GLU A 26 4.467 22.405 0.921 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.550 20.627 -0.645 1.00 51.21 H new ATOM 0 HG3 GLU A 26 3.992 20.542 -1.444 1.00 51.21 H new ATOM 536 N GLU A 27 5.465 20.587 3.374 1.00 23.43 N ATOM 537 CA GLU A 27 6.655 20.292 4.172 1.00 42.32 C ATOM 538 C GLU A 27 6.856 18.783 4.437 1.00 60.41 C ATOM 539 O GLU A 27 7.988 18.313 4.351 1.00 20.41 O ATOM 540 CB GLU A 27 6.619 21.153 5.451 1.00 44.32 C ATOM 541 CG GLU A 27 7.842 20.993 6.372 1.00 65.14 C ATOM 542 CD GLU A 27 7.844 22.051 7.475 1.00 54.33 C ATOM 543 OE1 GLU A 27 7.397 21.711 8.592 1.00 1.32 O ATOM 544 OE2 GLU A 27 8.289 23.180 7.176 1.00 2.33 O1- ATOM 0 H GLU A 27 4.781 21.162 3.866 1.00 23.43 H new ATOM 0 HA GLU A 27 7.542 20.564 3.600 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.533 22.201 5.164 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.721 20.902 6.016 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.837 19.998 6.818 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.756 21.074 5.784 1.00 65.14 H new ATOM 551 N LEU A 28 5.757 18.043 4.671 1.00 0.12 N ATOM 552 CA LEU A 28 5.742 16.580 4.779 1.00 12.23 C ATOM 553 C LEU A 28 5.886 15.879 3.412 1.00 43.24 C ATOM 554 O LEU A 28 6.342 14.737 3.391 1.00 61.10 O ATOM 555 CB LEU A 28 4.456 16.109 5.508 1.00 51.32 C ATOM 556 CG LEU A 28 4.558 16.068 7.051 1.00 2.11 C ATOM 557 CD1 LEU A 28 4.910 17.428 7.691 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.279 15.458 7.666 1.00 72.24 C ATOM 0 H LEU A 28 4.834 18.460 4.793 1.00 0.12 H new ATOM 0 HA LEU A 28 6.613 16.292 5.367 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.636 16.771 5.230 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.197 15.113 5.149 1.00 51.32 H new ATOM 0 HG LEU A 28 5.402 15.419 7.285 1.00 2.11 H new ATOM 0 HD11 LEU A 28 4.963 17.318 8.774 1.00 52.22 H new ATOM 0 HD12 LEU A 28 5.874 17.769 7.313 1.00 52.22 H new ATOM 0 HD13 LEU A 28 4.142 18.159 7.438 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.371 15.438 8.752 1.00 72.24 H new ATOM 0 HD22 LEU A 28 2.416 16.063 7.386 1.00 72.24 H new ATOM 0 HD23 LEU A 28 3.146 14.442 7.295 1.00 72.24 H new ATOM 570 N ILE A 29 5.526 16.557 2.306 1.00 60.55 N ATOM 571 CA ILE A 29 5.698 16.051 0.941 1.00 71.25 C ATOM 572 C ILE A 29 7.174 16.143 0.497 1.00 13.24 C ATOM 573 O ILE A 29 7.719 15.145 0.031 1.00 22.23 O ATOM 574 CB ILE A 29 4.805 16.796 -0.103 1.00 2.25 C ATOM 575 CG1 ILE A 29 3.312 16.732 0.296 1.00 22.34 C ATOM 576 CG2 ILE A 29 5.000 16.273 -1.545 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.356 17.491 -0.640 1.00 11.22 C ATOM 0 H ILE A 29 5.102 17.484 2.341 1.00 60.55 H new ATOM 0 HA ILE A 29 5.382 15.008 0.970 1.00 71.25 H new ATOM 0 HB ILE A 29 5.130 17.836 -0.095 1.00 2.25 H new ATOM 0 HG12 ILE A 29 3.006 15.687 0.333 1.00 22.34 H new ATOM 0 HG13 ILE A 29 3.203 17.132 1.304 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.354 16.829 -2.224 1.00 52.45 H new ATOM 0 HG22 ILE A 29 6.040 16.407 -1.843 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.744 15.214 -1.586 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.333 17.387 -0.278 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.628 18.546 -0.661 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.428 17.078 -1.646 1.00 11.22 H new ATOM 589 N GLN A 30 7.801 17.320 0.676 1.00 32.25 N ATOM 590 CA GLN A 30 9.193 17.590 0.298 1.00 61.21 C ATOM 591 C GLN A 30 10.234 16.844 1.155 1.00 51.51 C ATOM 592 O GLN A 30 11.344 16.625 0.670 1.00 1.33 O ATOM 593 CB GLN A 30 9.464 19.115 0.311 1.00 10.35 C ATOM 594 CG GLN A 30 8.649 19.966 -0.690 1.00 51.13 C ATOM 595 CD GLN A 30 8.676 19.447 -2.127 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.712 19.501 -2.782 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.545 18.938 -2.619 1.00 72.51 N ATOM 0 H GLN A 30 7.340 18.126 1.098 1.00 32.25 H new ATOM 0 HA GLN A 30 9.314 17.201 -0.713 1.00 61.21 H new ATOM 0 HB2 GLN A 30 9.268 19.488 1.316 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.524 19.276 0.113 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.614 20.011 -0.352 1.00 51.13 H new ATOM 0 HG3 GLN A 30 9.033 20.986 -0.678 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.704 18.911 -2.042 1.00 72.51 H new ATOM 0 HE22 GLN A 30 7.521 18.576 -3.572 1.00 72.51 H new ATOM 606 N LYS A 31 9.859 16.451 2.383 1.00 43.00 N ATOM 607 CA LYS A 31 10.678 15.620 3.269 1.00 3.12 C ATOM 608 C LYS A 31 10.382 14.120 3.082 1.00 74.44 C ATOM 609 O LYS A 31 11.296 13.312 3.243 1.00 12.13 O ATOM 610 CB LYS A 31 10.452 16.067 4.731 1.00 33.32 C ATOM 611 CG LYS A 31 11.005 17.482 5.012 1.00 45.12 C ATOM 612 CD LYS A 31 10.593 18.070 6.373 1.00 12.15 C ATOM 613 CE LYS A 31 11.240 17.381 7.581 1.00 65.13 C ATOM 614 NZ LYS A 31 10.853 18.051 8.834 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.961 16.709 2.792 1.00 43.00 H new ATOM 0 HA LYS A 31 11.728 15.757 3.012 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.385 16.047 4.952 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.930 15.354 5.403 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.093 17.450 4.959 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.667 18.154 4.223 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.852 19.129 6.392 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.509 18.005 6.470 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.937 16.335 7.614 1.00 65.13 H new ATOM 0 HE3 LYS A 31 12.325 17.395 7.476 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 11.302 17.569 9.639 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 11.164 19.043 8.808 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 9.819 18.015 8.942 1.00 3.44 H new ATOM 628 N GLY A 32 9.132 13.769 2.730 1.00 50.40 N ATOM 629 CA GLY A 32 8.673 12.387 2.571 1.00 15.11 C ATOM 630 C GLY A 32 9.096 11.768 1.231 1.00 24.21 C ATOM 631 O GLY A 32 9.195 10.545 1.151 1.00 34.34 O ATOM 0 H GLY A 32 8.401 14.456 2.545 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.069 11.782 3.386 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.586 12.359 2.652 1.00 15.11 H new ATOM 635 N LYS A 33 9.365 12.588 0.195 1.00 12.04 N ATOM 636 CA LYS A 33 9.887 12.142 -1.101 1.00 4.24 C ATOM 637 C LYS A 33 11.365 11.709 -1.021 1.00 31.01 C ATOM 638 O LYS A 33 11.771 10.826 -1.775 1.00 75.03 O ATOM 639 CB LYS A 33 9.676 13.250 -2.164 1.00 50.23 C ATOM 640 CG LYS A 33 10.585 14.488 -2.022 1.00 63.12 C ATOM 641 CD LYS A 33 10.344 15.549 -3.103 1.00 33.54 C ATOM 642 CE LYS A 33 11.429 16.635 -3.091 1.00 3.24 C ATOM 643 NZ LYS A 33 11.261 17.564 -4.219 1.00 40.25 N1+ ATOM 0 H LYS A 33 9.221 13.597 0.242 1.00 12.04 H new ATOM 0 HA LYS A 33 9.327 11.256 -1.401 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.834 12.816 -3.152 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.637 13.577 -2.122 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.425 14.936 -1.041 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.627 14.171 -2.061 1.00 63.12 H new ATOM 0 HD2 LYS A 33 10.320 15.071 -4.082 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.368 16.009 -2.949 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.385 17.187 -2.152 1.00 3.24 H new ATOM 0 HE3 LYS A 33 12.414 16.170 -3.142 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.195 17.883 -4.548 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 10.767 17.081 -4.996 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 10.702 18.386 -3.912 1.00 40.25 H new ATOM 657 N ASP A 34 12.132 12.364 -0.128 1.00 62.15 N ATOM 658 CA ASP A 34 13.567 12.173 0.064 1.00 21.33 C ATOM 659 C ASP A 34 13.849 10.891 0.867 1.00 71.54 C ATOM 660 O ASP A 34 14.691 10.093 0.452 1.00 72.31 O ATOM 661 CB ASP A 34 14.193 13.421 0.728 1.00 41.55 C ATOM 662 CG ASP A 34 15.719 13.372 0.861 1.00 64.03 C ATOM 663 OD1 ASP A 34 16.188 12.887 1.914 1.00 3.04 O ATOM 664 OD2 ASP A 34 16.385 13.845 -0.086 1.00 22.15 O1- ATOM 0 H ASP A 34 11.745 13.068 0.501 1.00 62.15 H new ATOM 0 HA ASP A 34 14.037 12.048 -0.912 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.920 14.302 0.147 1.00 41.55 H new ATOM 0 HB3 ASP A 34 13.758 13.546 1.720 1.00 41.55 H new ATOM 669 N ILE A 35 13.128 10.725 1.990 1.00 31.14 N ATOM 670 CA ILE A 35 13.232 9.577 2.886 1.00 55.24 C ATOM 671 C ILE A 35 12.775 8.285 2.182 1.00 62.22 C ATOM 672 O ILE A 35 11.617 8.193 1.773 1.00 12.45 O ATOM 673 CB ILE A 35 12.395 9.795 4.188 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.938 10.974 5.032 1.00 2.13 C ATOM 675 CG2 ILE A 35 12.208 8.539 5.076 1.00 34.10 C ATOM 676 CD1 ILE A 35 14.225 10.684 5.819 1.00 60.03 C ATOM 0 H ILE A 35 12.439 11.410 2.301 1.00 31.14 H new ATOM 0 HA ILE A 35 14.282 9.476 3.162 1.00 55.24 H new ATOM 0 HB ILE A 35 11.400 10.040 3.817 1.00 1.50 H new ATOM 0 HG12 ILE A 35 13.121 11.819 4.369 1.00 2.13 H new ATOM 0 HG13 ILE A 35 12.164 11.282 5.735 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.614 8.798 5.952 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.695 7.764 4.506 1.00 34.10 H new ATOM 0 HG23 ILE A 35 13.183 8.170 5.395 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.520 11.574 6.375 1.00 60.03 H new ATOM 0 HD12 ILE A 35 14.049 9.863 6.514 1.00 60.03 H new ATOM 0 HD13 ILE A 35 15.021 10.409 5.127 1.00 60.03 H new ATOM 688 N LYS A 36 13.709 7.325 2.065 1.00 74.41 N ATOM 689 CA LYS A 36 13.470 5.986 1.531 1.00 33.25 C ATOM 690 C LYS A 36 12.532 5.208 2.463 1.00 45.41 C ATOM 691 O LYS A 36 12.950 4.787 3.542 1.00 40.12 O ATOM 692 CB LYS A 36 14.815 5.246 1.346 1.00 5.55 C ATOM 693 CG LYS A 36 15.710 5.796 0.220 1.00 63.32 C ATOM 694 CD LYS A 36 15.134 5.589 -1.192 1.00 41.44 C ATOM 695 CE LYS A 36 16.132 5.971 -2.295 1.00 21.10 C ATOM 696 NZ LYS A 36 15.554 5.761 -3.634 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.678 7.471 2.350 1.00 74.41 H new ATOM 0 HA LYS A 36 12.988 6.065 0.557 1.00 33.25 H new ATOM 0 HB2 LYS A 36 15.369 5.290 2.284 1.00 5.55 H new ATOM 0 HB3 LYS A 36 14.610 4.194 1.146 1.00 5.55 H new ATOM 0 HG2 LYS A 36 15.870 6.862 0.384 1.00 63.32 H new ATOM 0 HG3 LYS A 36 16.686 5.315 0.278 1.00 63.32 H new ATOM 0 HD2 LYS A 36 14.845 4.545 -1.314 1.00 41.44 H new ATOM 0 HD3 LYS A 36 14.229 6.186 -1.303 1.00 41.44 H new ATOM 0 HE2 LYS A 36 16.422 7.016 -2.181 1.00 21.10 H new ATOM 0 HE3 LYS A 36 17.039 5.376 -2.190 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 16.251 6.027 -4.359 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 15.300 4.759 -3.749 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 14.702 6.348 -3.740 1.00 52.24 H new ATOM 710 N GLY A 37 11.272 5.072 2.027 1.00 23.34 N ATOM 711 CA GLY A 37 10.215 4.405 2.778 1.00 45.33 C ATOM 712 C GLY A 37 10.440 2.888 2.815 1.00 41.21 C ATOM 713 O GLY A 37 11.159 2.323 1.988 1.00 4.23 O ATOM 0 H GLY A 37 10.960 5.431 1.125 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.184 4.796 3.795 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.248 4.622 2.323 1.00 45.33 H new ATOM 717 N VAL A 38 9.789 2.237 3.784 1.00 63.12 N ATOM 718 CA VAL A 38 9.739 0.788 3.912 1.00 63.14 C ATOM 719 C VAL A 38 8.293 0.400 4.243 1.00 60.44 C ATOM 720 O VAL A 38 7.716 0.914 5.202 1.00 44.23 O ATOM 721 CB VAL A 38 10.689 0.241 5.020 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.553 -1.278 5.255 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.164 0.574 4.721 1.00 31.32 C ATOM 0 H VAL A 38 9.271 2.721 4.517 1.00 63.12 H new ATOM 0 HA VAL A 38 10.074 0.349 2.972 1.00 63.14 H new ATOM 0 HB VAL A 38 10.375 0.747 5.933 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.244 -1.588 6.039 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.532 -1.509 5.559 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.787 -1.811 4.334 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.795 0.176 5.516 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.453 0.126 3.770 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.289 1.655 4.665 1.00 31.32 H new ATOM 733 N SER A 39 7.762 -0.521 3.433 1.00 2.42 N ATOM 734 CA SER A 39 6.486 -1.186 3.635 1.00 44.24 C ATOM 735 C SER A 39 6.731 -2.591 4.202 1.00 54.13 C ATOM 736 O SER A 39 7.818 -3.151 4.065 1.00 2.40 O ATOM 737 CB SER A 39 5.742 -1.248 2.288 1.00 2.01 C ATOM 738 OG SER A 39 5.251 0.036 1.956 1.00 13.42 O ATOM 0 H SER A 39 8.236 -0.832 2.585 1.00 2.42 H new ATOM 0 HA SER A 39 5.872 -0.635 4.348 1.00 44.24 H new ATOM 0 HB2 SER A 39 6.413 -1.605 1.507 1.00 2.01 H new ATOM 0 HB3 SER A 39 4.918 -1.959 2.349 1.00 2.01 H new ATOM 0 HG SER A 39 5.370 0.194 0.996 1.00 13.42 H new ATOM 744 N GLU A 40 5.694 -3.135 4.838 1.00 10.33 N ATOM 745 CA GLU A 40 5.675 -4.456 5.439 1.00 32.53 C ATOM 746 C GLU A 40 4.236 -4.958 5.378 1.00 52.00 C ATOM 747 O GLU A 40 3.308 -4.199 5.653 1.00 5.23 O ATOM 748 CB GLU A 40 6.238 -4.384 6.874 1.00 74.12 C ATOM 749 CG GLU A 40 6.221 -5.718 7.647 1.00 23.34 C ATOM 750 CD GLU A 40 6.743 -5.536 9.070 1.00 35.54 C ATOM 751 OE1 GLU A 40 5.894 -5.489 9.986 1.00 3.21 O ATOM 752 OE2 GLU A 40 7.980 -5.415 9.211 1.00 73.21 O1- ATOM 0 H GLU A 40 4.809 -2.641 4.950 1.00 10.33 H new ATOM 0 HA GLU A 40 6.311 -5.162 4.904 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.265 -4.021 6.828 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.665 -3.648 7.437 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.205 -6.112 7.677 1.00 23.34 H new ATOM 0 HG3 GLU A 40 6.832 -6.453 7.123 1.00 23.34 H new ATOM 759 N ILE A 41 4.086 -6.232 5.011 1.00 61.23 N ATOM 760 CA ILE A 41 2.796 -6.897 4.917 1.00 42.43 C ATOM 761 C ILE A 41 2.912 -8.207 5.708 1.00 63.52 C ATOM 762 O ILE A 41 3.966 -8.842 5.696 1.00 75.40 O ATOM 763 CB ILE A 41 2.416 -7.234 3.445 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.554 -6.023 2.488 1.00 52.20 C ATOM 765 CG2 ILE A 41 0.995 -7.834 3.345 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.462 -6.391 0.998 1.00 12.11 C ATOM 0 H ILE A 41 4.872 -6.835 4.768 1.00 61.23 H new ATOM 0 HA ILE A 41 2.022 -6.237 5.310 1.00 42.43 H new ATOM 0 HB ILE A 41 3.137 -7.984 3.121 1.00 2.44 H new ATOM 0 HG12 ILE A 41 1.775 -5.298 2.722 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.510 -5.534 2.673 1.00 52.20 H new ATOM 0 HG21 ILE A 41 0.766 -8.056 2.303 1.00 14.43 H new ATOM 0 HG22 ILE A 41 0.946 -8.752 3.931 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.270 -7.118 3.731 1.00 14.43 H new ATOM 0 HD11 ILE A 41 2.568 -5.490 0.394 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.258 -7.092 0.747 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.495 -6.852 0.796 1.00 12.11 H new ATOM 778 N VAL A 42 1.821 -8.586 6.382 1.00 61.12 N ATOM 779 CA VAL A 42 1.688 -9.861 7.077 1.00 35.52 C ATOM 780 C VAL A 42 0.377 -10.490 6.588 1.00 4.05 C ATOM 781 O VAL A 42 -0.628 -9.786 6.509 1.00 65.04 O ATOM 782 CB VAL A 42 1.600 -9.678 8.620 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.563 -11.020 9.378 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.742 -8.805 9.174 1.00 72.01 C ATOM 0 H VAL A 42 0.990 -7.999 6.458 1.00 61.12 H new ATOM 0 HA VAL A 42 2.560 -10.480 6.868 1.00 35.52 H new ATOM 0 HB VAL A 42 0.655 -9.163 8.791 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.502 -10.831 10.450 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.692 -11.593 9.060 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.469 -11.586 9.161 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.635 -8.708 10.254 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.700 -9.271 8.945 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.700 -7.817 8.715 1.00 72.01 H new ATOM 794 N GLN A 43 0.412 -11.792 6.272 1.00 74.40 N ATOM 795 CA GLN A 43 -0.755 -12.563 5.853 1.00 30.22 C ATOM 796 C GLN A 43 -0.915 -13.747 6.813 1.00 35.33 C ATOM 797 O GLN A 43 0.006 -14.554 6.945 1.00 41.12 O ATOM 798 CB GLN A 43 -0.583 -12.999 4.381 1.00 42.11 C ATOM 799 CG GLN A 43 -1.789 -13.790 3.828 1.00 34.04 C ATOM 800 CD GLN A 43 -1.676 -14.125 2.338 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.645 -13.905 1.707 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.749 -14.675 1.770 1.00 12.51 N ATOM 0 H GLN A 43 1.269 -12.344 6.303 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.667 -11.967 5.898 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.425 -12.114 3.764 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.314 -13.612 4.294 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.894 -14.717 4.392 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.698 -13.212 3.993 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.589 -14.844 2.324 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.730 -14.927 0.782 1.00 12.51 H new ATOM 811 N ASN A 44 -2.092 -13.815 7.453 1.00 25.45 N ATOM 812 CA ASN A 44 -2.498 -14.848 8.405 1.00 44.42 C ATOM 813 C ASN A 44 -3.845 -15.404 7.930 1.00 53.04 C ATOM 814 O ASN A 44 -4.885 -15.099 8.518 1.00 61.10 O ATOM 815 CB ASN A 44 -2.578 -14.235 9.828 1.00 64.41 C ATOM 816 CG ASN A 44 -1.213 -13.901 10.439 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.311 -14.737 10.458 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.065 -12.687 10.972 1.00 74.22 N ATOM 0 H ASN A 44 -2.819 -13.114 7.310 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.777 -15.664 8.453 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.179 -13.327 9.788 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.098 -14.933 10.485 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.183 -12.428 11.413 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -1.834 -12.018 10.938 1.00 74.22 H new ATOM 825 N GLY A 45 -3.797 -16.201 6.848 1.00 55.11 N ATOM 826 CA GLY A 45 -4.972 -16.804 6.221 1.00 22.41 C ATOM 827 C GLY A 45 -5.783 -15.718 5.510 1.00 72.11 C ATOM 828 O GLY A 45 -5.281 -15.068 4.591 1.00 3.32 O ATOM 0 H GLY A 45 -2.923 -16.444 6.382 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.665 -17.569 5.508 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.586 -17.298 6.974 1.00 22.41 H new ATOM 832 N LYS A 46 -7.043 -15.542 5.941 1.00 5.11 N ATOM 833 CA LYS A 46 -7.943 -14.490 5.465 1.00 20.40 C ATOM 834 C LYS A 46 -7.551 -13.095 5.985 1.00 71.33 C ATOM 835 O LYS A 46 -7.798 -12.116 5.283 1.00 41.04 O ATOM 836 CB LYS A 46 -9.397 -14.811 5.875 1.00 51.11 C ATOM 837 CG LYS A 46 -9.954 -16.174 5.419 1.00 71.21 C ATOM 838 CD LYS A 46 -10.017 -16.393 3.896 1.00 71.33 C ATOM 839 CE LYS A 46 -8.780 -17.092 3.308 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.949 -17.353 1.869 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.469 -16.143 6.646 1.00 5.11 H new ATOM 0 HA LYS A 46 -7.859 -14.466 4.379 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.464 -14.761 6.962 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.044 -14.028 5.479 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.340 -16.961 5.856 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -10.958 -16.290 5.826 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -10.901 -16.986 3.662 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.142 -15.427 3.406 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -7.898 -16.471 3.466 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.606 -18.032 3.833 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.099 -17.825 1.500 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -9.777 -17.965 1.722 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.091 -16.453 1.367 1.00 73.11 H new ATOM 854 N HIS A 47 -6.948 -13.026 7.187 1.00 31.14 N ATOM 855 CA HIS A 47 -6.486 -11.779 7.790 1.00 24.30 C ATOM 856 C HIS A 47 -5.191 -11.274 7.134 1.00 32.21 C ATOM 857 O HIS A 47 -4.321 -12.069 6.778 1.00 44.23 O ATOM 858 CB HIS A 47 -6.318 -11.948 9.312 1.00 54.34 C ATOM 859 CG HIS A 47 -6.099 -10.643 10.043 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.099 -9.697 10.195 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.983 -10.099 10.641 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.568 -8.663 10.851 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.286 -8.834 11.150 1.00 23.21 N ATOM 0 H HIS A 47 -6.770 -13.847 7.766 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.246 -11.019 7.613 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.205 -12.437 9.715 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.474 -12.610 9.505 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.062 -9.776 9.867 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.018 -10.579 10.706 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -7.126 -7.776 11.112 1.00 22.13 H new ATOM 871 N PHE A 48 -5.105 -9.947 7.029 1.00 74.42 N ATOM 872 CA PHE A 48 -3.960 -9.184 6.558 1.00 52.41 C ATOM 873 C PHE A 48 -3.670 -8.038 7.529 1.00 65.41 C ATOM 874 O PHE A 48 -4.599 -7.452 8.091 1.00 43.24 O ATOM 875 CB PHE A 48 -4.259 -8.591 5.170 1.00 3.43 C ATOM 876 CG PHE A 48 -4.100 -9.522 3.985 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.098 -10.470 3.675 1.00 12.33 C ATOM 878 CD2 PHE A 48 -2.902 -9.519 3.240 1.00 73.22 C ATOM 879 CE1 PHE A 48 -4.927 -11.336 2.604 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.761 -10.378 2.160 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.768 -11.278 1.841 1.00 72.20 C ATOM 0 H PHE A 48 -5.885 -9.343 7.288 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.098 -9.848 6.496 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.282 -8.216 5.173 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.605 -7.732 5.019 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -5.996 -10.522 4.272 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.098 -8.850 3.510 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -5.696 -12.056 2.364 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -1.861 -10.346 1.563 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.650 -11.938 0.994 1.00 72.20 H new ATOM 891 N LYS A 49 -2.383 -7.688 7.625 1.00 64.51 N ATOM 892 CA LYS A 49 -1.914 -6.447 8.227 1.00 74.12 C ATOM 893 C LYS A 49 -1.011 -5.758 7.195 1.00 23.12 C ATOM 894 O LYS A 49 -0.242 -6.435 6.512 1.00 32.45 O ATOM 895 CB LYS A 49 -1.157 -6.760 9.532 1.00 31.13 C ATOM 896 CG LYS A 49 -0.999 -5.545 10.460 1.00 65.33 C ATOM 897 CD LYS A 49 -0.061 -5.830 11.642 1.00 22.54 C ATOM 898 CE LYS A 49 -0.158 -4.774 12.752 1.00 0.54 C ATOM 899 NZ LYS A 49 -1.275 -5.049 13.673 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.626 -8.276 7.277 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.741 -5.786 8.487 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.685 -7.549 10.068 1.00 31.13 H new ATOM 0 HB3 LYS A 49 -0.169 -7.148 9.285 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -0.612 -4.702 9.888 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.978 -5.251 10.839 1.00 65.33 H new ATOM 0 HD2 LYS A 49 -0.297 -6.809 12.058 1.00 22.54 H new ATOM 0 HD3 LYS A 49 0.966 -5.876 11.281 1.00 22.54 H new ATOM 0 HE2 LYS A 49 0.777 -4.748 13.312 1.00 0.54 H new ATOM 0 HE3 LYS A 49 -0.289 -3.788 12.306 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 -1.437 -4.220 14.280 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 -2.136 -5.250 13.125 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 -1.042 -5.871 14.265 1.00 11.34 H new ATOM 913 N PHE A 50 -1.125 -4.428 7.112 1.00 3.40 N ATOM 914 CA PHE A 50 -0.316 -3.564 6.257 1.00 12.22 C ATOM 915 C PHE A 50 0.290 -2.462 7.129 1.00 40.53 C ATOM 916 O PHE A 50 -0.459 -1.724 7.762 1.00 2.33 O ATOM 917 CB PHE A 50 -1.188 -2.978 5.124 1.00 4.42 C ATOM 918 CG PHE A 50 -1.187 -3.764 3.828 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.880 -4.990 3.734 1.00 50.23 C ATOM 920 CD2 PHE A 50 -0.410 -3.326 2.734 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.839 -5.716 2.552 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.393 -4.063 1.559 1.00 2.54 C ATOM 923 CZ PHE A 50 -1.105 -5.252 1.469 1.00 33.23 C ATOM 0 H PHE A 50 -1.810 -3.908 7.661 1.00 3.40 H new ATOM 0 HA PHE A 50 0.489 -4.129 5.787 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.215 -2.902 5.482 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.847 -1.964 4.914 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.440 -5.362 4.579 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.170 -2.418 2.812 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.381 -6.647 2.474 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.176 -3.711 0.711 1.00 2.54 H new ATOM 0 HZ PHE A 50 -1.088 -5.819 0.550 1.00 33.23 H new ATOM 933 N THR A 51 1.626 -2.378 7.141 1.00 53.41 N ATOM 934 CA THR A 51 2.402 -1.411 7.914 1.00 52.03 C ATOM 935 C THR A 51 3.320 -0.654 6.942 1.00 73.11 C ATOM 936 O THR A 51 4.025 -1.289 6.164 1.00 24.43 O ATOM 937 CB THR A 51 3.274 -2.134 8.974 1.00 20.44 C ATOM 938 OG1 THR A 51 2.422 -2.745 9.925 1.00 61.14 O ATOM 939 CG2 THR A 51 4.282 -1.250 9.734 1.00 52.31 C ATOM 0 H THR A 51 2.214 -3.005 6.592 1.00 53.41 H new ATOM 0 HA THR A 51 1.726 -0.728 8.429 1.00 52.03 H new ATOM 0 HB THR A 51 3.873 -2.848 8.408 1.00 20.44 H new ATOM 0 HG1 THR A 51 2.963 -3.207 10.600 1.00 61.14 H new ATOM 0 HG21 THR A 51 4.835 -1.860 10.448 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.977 -0.800 9.026 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.747 -0.464 10.267 1.00 52.31 H new ATOM 947 N ILE A 52 3.275 0.685 6.982 1.00 25.40 N ATOM 948 CA ILE A 52 3.996 1.559 6.057 1.00 53.13 C ATOM 949 C ILE A 52 4.673 2.668 6.873 1.00 32.23 C ATOM 950 O ILE A 52 3.986 3.368 7.612 1.00 61.24 O ATOM 951 CB ILE A 52 3.041 2.227 5.014 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.236 1.184 4.199 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.793 3.173 4.047 1.00 40.02 C ATOM 954 CD1 ILE A 52 0.860 0.842 4.792 1.00 52.10 C ATOM 0 H ILE A 52 2.725 1.197 7.672 1.00 25.40 H new ATOM 0 HA ILE A 52 4.721 0.954 5.512 1.00 53.13 H new ATOM 0 HB ILE A 52 2.341 2.821 5.602 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.098 1.560 3.185 1.00 71.24 H new ATOM 0 HG13 ILE A 52 2.823 0.269 4.122 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.085 3.611 3.343 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.277 3.966 4.617 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.547 2.608 3.499 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.364 0.105 4.160 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.987 0.433 5.794 1.00 52.10 H new ATOM 0 HD13 ILE A 52 0.251 1.745 4.843 1.00 52.10 H new ATOM 966 N THR A 53 5.993 2.818 6.698 1.00 2.25 N ATOM 967 CA THR A 53 6.799 3.880 7.301 1.00 34.41 C ATOM 968 C THR A 53 7.467 4.688 6.179 1.00 12.24 C ATOM 969 O THR A 53 8.135 4.099 5.331 1.00 50.34 O ATOM 970 CB THR A 53 7.922 3.293 8.198 1.00 3.33 C ATOM 971 OG1 THR A 53 7.334 2.521 9.225 1.00 41.31 O ATOM 972 CG2 THR A 53 8.834 4.345 8.859 1.00 74.21 C ATOM 0 H THR A 53 6.542 2.185 6.116 1.00 2.25 H new ATOM 0 HA THR A 53 6.144 4.503 7.910 1.00 34.41 H new ATOM 0 HB THR A 53 8.552 2.702 7.533 1.00 3.33 H new ATOM 0 HG1 THR A 53 8.037 2.145 9.795 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.588 3.843 9.466 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.325 4.937 8.087 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.235 4.999 9.492 1.00 74.21 H new ATOM 980 N ALA A 54 7.287 6.018 6.205 1.00 42.32 N ATOM 981 CA ALA A 54 7.887 6.953 5.253 1.00 33.40 C ATOM 982 C ALA A 54 7.743 8.372 5.809 1.00 4.42 C ATOM 983 O ALA A 54 6.626 8.783 6.120 1.00 71.34 O ATOM 984 CB ALA A 54 7.223 6.831 3.868 1.00 22.53 C ATOM 0 H ALA A 54 6.707 6.479 6.906 1.00 42.32 H new ATOM 0 HA ALA A 54 8.943 6.717 5.123 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.687 7.536 3.179 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.352 5.817 3.491 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.159 7.053 3.954 1.00 22.53 H new ATOM 990 N GLY A 55 8.870 9.094 5.922 1.00 31.11 N ATOM 991 CA GLY A 55 8.918 10.437 6.506 1.00 55.23 C ATOM 992 C GLY A 55 8.871 10.401 8.047 1.00 64.53 C ATOM 993 O GLY A 55 8.453 11.388 8.650 1.00 72.42 O ATOM 0 H GLY A 55 9.779 8.756 5.607 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.830 10.940 6.183 1.00 55.23 H new ATOM 0 HA3 GLY A 55 8.080 11.025 6.132 1.00 55.23 H new ATOM 997 N SER A 56 9.262 9.270 8.665 1.00 20.05 N ATOM 998 CA SER A 56 9.287 8.969 10.107 1.00 64.53 C ATOM 999 C SER A 56 7.906 8.641 10.718 1.00 74.02 C ATOM 1000 O SER A 56 7.854 7.878 11.683 1.00 44.30 O ATOM 1001 CB SER A 56 10.070 10.044 10.904 1.00 55.44 C ATOM 1002 OG SER A 56 10.334 9.635 12.231 1.00 64.35 O ATOM 0 H SER A 56 9.597 8.476 8.120 1.00 20.05 H new ATOM 0 HA SER A 56 9.840 8.034 10.202 1.00 64.53 H new ATOM 0 HB2 SER A 56 11.011 10.257 10.397 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.498 10.972 10.918 1.00 55.44 H new ATOM 0 HG SER A 56 10.830 10.340 12.698 1.00 64.35 H new ATOM 1008 N LYS A 57 6.812 9.160 10.129 1.00 63.33 N ATOM 1009 CA LYS A 57 5.436 8.779 10.458 1.00 55.45 C ATOM 1010 C LYS A 57 5.131 7.354 9.960 1.00 41.21 C ATOM 1011 O LYS A 57 5.606 6.965 8.890 1.00 52.43 O ATOM 1012 CB LYS A 57 4.442 9.847 9.931 1.00 2.22 C ATOM 1013 CG LYS A 57 4.392 10.084 8.403 1.00 75.24 C ATOM 1014 CD LYS A 57 3.440 9.171 7.598 1.00 51.34 C ATOM 1015 CE LYS A 57 2.037 9.755 7.362 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.256 9.874 8.607 1.00 60.33 N1+ ATOM 0 H LYS A 57 6.867 9.869 9.398 1.00 63.33 H new ATOM 0 HA LYS A 57 5.314 8.751 11.541 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.442 9.567 10.261 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.682 10.796 10.411 1.00 2.22 H new ATOM 0 HG2 LYS A 57 4.102 11.120 8.227 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.400 9.963 8.005 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.896 8.955 6.632 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.340 8.221 8.123 1.00 51.34 H new ATOM 0 HE2 LYS A 57 2.130 10.738 6.900 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.497 9.121 6.658 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.278 10.143 8.379 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.257 8.962 9.106 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.682 10.602 9.216 1.00 60.33 H new ATOM 1030 N VAL A 58 4.344 6.619 10.760 1.00 55.31 N ATOM 1031 CA VAL A 58 3.983 5.227 10.505 1.00 42.03 C ATOM 1032 C VAL A 58 2.451 5.113 10.431 1.00 54.23 C ATOM 1033 O VAL A 58 1.756 5.662 11.286 1.00 21.21 O ATOM 1034 CB VAL A 58 4.489 4.280 11.635 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.188 2.790 11.358 1.00 44.04 C ATOM 1036 CG2 VAL A 58 5.995 4.458 11.904 1.00 42.14 C ATOM 0 H VAL A 58 3.935 6.988 11.618 1.00 55.31 H new ATOM 0 HA VAL A 58 4.451 4.928 9.567 1.00 42.03 H new ATOM 0 HB VAL A 58 3.931 4.574 12.524 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.565 2.183 12.181 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.111 2.647 11.266 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.675 2.487 10.431 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.305 3.779 12.698 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.556 4.235 10.996 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.191 5.486 12.208 1.00 42.14 H new ATOM 1046 N ILE A 59 1.973 4.382 9.415 1.00 41.03 N ATOM 1047 CA ILE A 59 0.569 4.057 9.188 1.00 34.25 C ATOM 1048 C ILE A 59 0.436 2.535 9.364 1.00 14.03 C ATOM 1049 O ILE A 59 1.258 1.800 8.814 1.00 51.40 O ATOM 1050 CB ILE A 59 0.115 4.393 7.731 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.504 5.826 7.292 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.411 4.208 7.562 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.918 5.959 6.701 1.00 72.32 C ATOM 0 H ILE A 59 2.585 3.987 8.701 1.00 41.03 H new ATOM 0 HA ILE A 59 -0.043 4.634 9.881 1.00 34.25 H new ATOM 0 HB ILE A 59 0.645 3.690 7.089 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.218 6.173 6.552 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.422 6.489 8.153 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.696 4.449 6.538 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.678 3.174 7.779 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.936 4.870 8.250 1.00 24.12 H new ATOM 0 HD11 ILE A 59 2.100 6.997 6.423 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.653 5.648 7.443 1.00 72.32 H new ATOM 0 HD13 ILE A 59 2.004 5.326 5.818 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.594 2.094 10.103 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.929 0.678 10.255 1.00 42.05 C ATOM 1067 C GLN A 60 -2.415 0.443 9.967 1.00 42.53 C ATOM 1068 O GLN A 60 -3.267 1.208 10.415 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.532 0.147 11.648 1.00 21.23 C ATOM 1070 CG GLN A 60 0.991 0.093 11.863 1.00 52.05 C ATOM 1071 CD GLN A 60 1.374 -0.767 13.067 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.523 -1.981 12.947 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.542 -0.143 14.234 1.00 13.55 N ATOM 0 H GLN A 60 -1.219 2.718 10.613 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.350 0.115 9.523 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.978 0.782 12.413 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -0.947 -0.852 11.781 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.469 -0.305 10.968 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.372 1.104 12.005 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.410 0.866 14.296 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.803 -0.675 15.064 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.671 -0.637 9.218 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.980 -1.090 8.756 1.00 41.34 C ATOM 1084 C ASN A 61 -4.147 -2.568 9.128 1.00 52.20 C ATOM 1085 O ASN A 61 -3.170 -3.318 9.122 1.00 25.44 O ATOM 1086 CB ASN A 61 -4.061 -0.963 7.215 1.00 25.31 C ATOM 1087 CG ASN A 61 -3.983 0.468 6.679 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -2.927 1.097 6.700 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -5.100 0.976 6.162 1.00 11.11 N ATOM 0 H ASN A 61 -1.921 -1.252 8.902 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.759 -0.484 9.218 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -3.251 -1.545 6.775 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.995 -1.411 6.877 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -5.097 1.916 5.766 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -5.958 0.425 6.162 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.403 -2.963 9.370 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.829 -4.354 9.492 1.00 21.24 C ATOM 1098 C GLU A 62 -7.110 -4.558 8.683 1.00 44.03 C ATOM 1099 O GLU A 62 -7.983 -3.689 8.688 1.00 14.33 O ATOM 1100 CB GLU A 62 -6.076 -4.735 10.966 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.793 -5.128 11.719 1.00 34.42 C ATOM 1102 CD GLU A 62 -5.043 -5.624 13.146 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -4.031 -5.748 13.870 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -6.215 -5.881 13.497 1.00 11.32 O1- ATOM 0 H GLU A 62 -6.170 -2.301 9.489 1.00 40.14 H new ATOM 0 HA GLU A 62 -5.037 -4.996 9.107 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.545 -3.894 11.477 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.781 -5.566 11.006 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -4.278 -5.908 11.158 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -4.125 -4.267 11.755 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.217 -5.741 8.059 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.423 -6.196 7.381 1.00 33.44 C ATOM 1113 C PHE A 63 -8.447 -7.718 7.247 1.00 12.32 C ATOM 1114 O PHE A 63 -7.405 -8.361 7.326 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.612 -5.485 6.021 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.549 -5.725 4.963 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -7.588 -6.880 4.151 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -6.451 -4.845 4.851 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -6.597 -7.094 3.203 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -5.475 -5.074 3.891 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.554 -6.188 3.065 1.00 52.40 C ATOM 0 H PHE A 63 -6.451 -6.413 8.015 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.276 -5.919 8.001 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.574 -5.791 5.610 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.670 -4.412 6.205 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -8.388 -7.596 4.268 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -6.370 -3.994 5.512 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -6.637 -7.968 2.570 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -4.651 -4.384 3.786 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.799 -6.351 2.310 1.00 52.40 H new ATOM 1131 N THR A 64 -9.651 -8.246 7.000 1.00 34.14 N ATOM 1132 CA THR A 64 -9.894 -9.640 6.656 1.00 3.13 C ATOM 1133 C THR A 64 -10.643 -9.651 5.315 1.00 74.33 C ATOM 1134 O THR A 64 -11.645 -8.948 5.186 1.00 14.33 O ATOM 1135 CB THR A 64 -10.754 -10.338 7.742 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.018 -10.377 8.951 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.185 -11.778 7.419 1.00 71.51 C ATOM 0 H THR A 64 -10.507 -7.692 7.037 1.00 34.14 H new ATOM 0 HA THR A 64 -8.949 -10.180 6.588 1.00 3.13 H new ATOM 0 HB THR A 64 -11.667 -9.746 7.807 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.553 -10.815 9.646 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.781 -12.173 8.242 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.779 -11.784 6.505 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.301 -12.400 7.280 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.125 -10.409 4.332 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.669 -10.435 2.971 1.00 54.10 C ATOM 1147 C VAL A 65 -12.049 -11.122 2.903 1.00 54.34 C ATOM 1148 O VAL A 65 -12.285 -12.116 3.591 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.712 -11.097 1.941 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.394 -10.314 1.826 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.454 -12.603 2.147 1.00 44.43 C ATOM 0 H VAL A 65 -9.318 -11.019 4.463 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.783 -9.386 2.699 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.249 -11.043 0.994 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.744 -10.800 1.098 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.603 -9.295 1.501 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.899 -10.291 2.797 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.774 -12.965 1.376 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -9.008 -12.765 3.128 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.397 -13.146 2.083 1.00 44.43 H new ATOM 1161 N GLY A 66 -12.935 -10.525 2.093 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.349 -10.876 1.971 1.00 2.14 C ATOM 1163 C GLY A 66 -15.214 -10.215 3.062 1.00 14.12 C ATOM 1164 O GLY A 66 -16.427 -10.415 3.045 1.00 1.40 O ATOM 0 H GLY A 66 -12.670 -9.753 1.481 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.713 -10.573 0.989 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.458 -11.959 2.031 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.615 -9.455 3.999 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.275 -8.862 5.166 1.00 2.33 C ATOM 1170 C GLU A 67 -14.905 -7.374 5.297 1.00 4.41 C ATOM 1171 O GLU A 67 -13.865 -6.946 4.793 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.870 -9.643 6.437 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.226 -11.146 6.395 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.847 -11.923 7.659 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -14.541 -11.277 8.685 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.868 -13.170 7.572 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.621 -9.232 3.957 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.356 -8.927 5.040 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.795 -9.539 6.587 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.357 -9.189 7.300 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.298 -11.248 6.229 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.726 -11.601 5.540 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.777 -6.617 5.985 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.617 -5.183 6.232 1.00 12.25 C ATOM 1185 C GLU A 68 -14.784 -4.940 7.500 1.00 3.41 C ATOM 1186 O GLU A 68 -15.108 -5.495 8.551 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.012 -4.532 6.320 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.974 -2.994 6.401 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.376 -2.394 6.343 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.647 -1.677 5.356 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -19.149 -2.652 7.293 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.631 -6.999 6.392 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.072 -4.722 5.408 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.596 -4.827 5.448 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.530 -4.920 7.197 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.485 -2.690 7.327 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.375 -2.600 5.580 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.742 -4.105 7.370 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.800 -3.749 8.433 1.00 24.14 C ATOM 1200 C CYS A 69 -12.409 -2.268 8.301 1.00 1.24 C ATOM 1201 O CYS A 69 -12.568 -1.683 7.228 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.539 -4.633 8.385 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.889 -6.318 8.969 1.00 73.13 S ATOM 0 H CYS A 69 -13.527 -3.643 6.486 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.289 -3.916 9.393 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.158 -4.672 7.364 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.757 -4.188 9.000 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.175 -6.505 9.010 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.905 -1.684 9.398 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.563 -0.265 9.471 1.00 52.30 C ATOM 1211 C GLU A 70 -10.084 -0.038 9.096 1.00 74.34 C ATOM 1212 O GLU A 70 -9.195 -0.490 9.820 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.907 0.251 10.881 1.00 50.13 C ATOM 1214 CG GLU A 70 -11.959 1.787 10.944 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.148 2.344 12.356 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -12.822 3.390 12.462 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -11.574 1.753 13.299 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.724 -2.192 10.264 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.146 0.304 8.747 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.870 -0.156 11.189 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.165 -0.115 11.590 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.036 2.189 10.526 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -12.775 2.139 10.313 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.861 0.668 7.975 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.544 1.003 7.429 1.00 60.35 C ATOM 1226 C LEU A 71 -8.197 2.459 7.774 1.00 15.41 C ATOM 1227 O LEU A 71 -9.025 3.344 7.555 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.555 0.828 5.888 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.217 -0.595 5.386 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -9.222 -1.659 5.860 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -8.035 -0.614 3.851 1.00 4.32 C ATOM 0 H LEU A 71 -10.625 1.033 7.406 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.798 0.338 7.864 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.541 1.104 5.514 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.842 1.529 5.453 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.265 -0.868 5.841 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.928 -2.635 5.474 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.234 -1.689 6.950 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -10.217 -1.408 5.493 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.798 -1.627 3.525 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -8.957 -0.285 3.371 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.222 0.056 3.573 1.00 4.32 H new ATOM 1243 N GLU A 72 -6.951 2.670 8.230 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.334 3.985 8.430 1.00 5.22 C ATOM 1245 C GLU A 72 -5.738 4.522 7.109 1.00 54.31 C ATOM 1246 O GLU A 72 -5.672 3.797 6.115 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.290 3.853 9.562 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.777 5.188 10.142 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.880 4.961 11.356 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -4.425 5.004 12.480 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -2.667 4.740 11.135 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.327 1.902 8.477 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.078 4.723 8.731 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.727 3.268 10.371 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.438 3.288 9.184 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.224 5.730 9.375 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.624 5.812 10.426 1.00 61.31 H new ATOM 1258 N THR A 73 -5.337 5.800 7.110 1.00 14.12 N ATOM 1259 CA THR A 73 -4.799 6.512 5.951 1.00 13.34 C ATOM 1260 C THR A 73 -3.525 7.301 6.329 1.00 65.20 C ATOM 1261 O THR A 73 -3.177 7.397 7.506 1.00 23.23 O ATOM 1262 CB THR A 73 -5.863 7.500 5.393 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.065 8.604 6.253 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.219 6.844 5.082 1.00 60.04 C ATOM 0 H THR A 73 -5.381 6.383 7.946 1.00 14.12 H new ATOM 0 HA THR A 73 -4.544 5.774 5.191 1.00 13.34 H new ATOM 0 HB THR A 73 -5.443 7.847 4.449 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.583 8.319 7.035 1.00 65.12 H new ATOM 0 HG21 THR A 73 -7.907 7.596 4.697 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.082 6.062 4.335 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.630 6.408 5.993 1.00 60.04 H new ATOM 1272 N MET A 74 -2.862 7.869 5.304 1.00 72.21 N ATOM 1273 CA MET A 74 -1.687 8.741 5.430 1.00 42.23 C ATOM 1274 C MET A 74 -1.971 10.058 6.188 1.00 45.20 C ATOM 1275 O MET A 74 -1.054 10.589 6.813 1.00 11.12 O ATOM 1276 CB MET A 74 -1.097 9.057 4.033 1.00 54.15 C ATOM 1277 CG MET A 74 -0.960 7.875 3.053 1.00 21.54 C ATOM 1278 SD MET A 74 0.148 6.525 3.547 1.00 51.13 S ATOM 1279 CE MET A 74 1.760 7.301 3.255 1.00 13.43 C ATOM 0 H MET A 74 -3.142 7.726 4.334 1.00 72.21 H new ATOM 0 HA MET A 74 -0.963 8.186 6.027 1.00 42.23 H new ATOM 0 HB2 MET A 74 -1.722 9.816 3.564 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.110 9.499 4.173 1.00 54.15 H new ATOM 0 HG2 MET A 74 -1.952 7.456 2.886 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.614 8.266 2.096 1.00 21.54 H new ATOM 0 HE1 MET A 74 2.553 6.599 3.511 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.846 7.578 2.204 1.00 13.43 H new ATOM 0 HE3 MET A 74 1.852 8.194 3.874 1.00 13.43 H new ATOM 1289 N THR A 75 -3.223 10.545 6.125 1.00 42.35 N ATOM 1290 CA THR A 75 -3.705 11.740 6.823 1.00 12.24 C ATOM 1291 C THR A 75 -4.102 11.458 8.290 1.00 50.13 C ATOM 1292 O THR A 75 -4.045 12.384 9.098 1.00 10.31 O ATOM 1293 CB THR A 75 -4.936 12.351 6.095 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.069 11.511 6.143 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.701 12.724 4.628 1.00 32.15 C ATOM 0 H THR A 75 -3.949 10.098 5.565 1.00 42.35 H new ATOM 0 HA THR A 75 -2.871 12.442 6.818 1.00 12.24 H new ATOM 0 HB THR A 75 -5.111 13.269 6.656 1.00 54.03 H new ATOM 0 HG1 THR A 75 -5.781 10.576 6.205 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.616 13.141 4.208 1.00 32.15 H new ATOM 0 HG22 THR A 75 -3.902 13.463 4.564 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.417 11.833 4.067 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.455 10.201 8.614 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.791 9.765 9.969 1.00 42.54 C ATOM 1305 C GLY A 76 -6.300 9.554 10.172 1.00 52.34 C ATOM 1306 O GLY A 76 -6.686 9.182 11.279 1.00 50.44 O ATOM 0 H GLY A 76 -4.514 9.451 7.925 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.267 8.835 10.186 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.434 10.507 10.683 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.148 9.741 9.139 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.553 9.306 9.162 1.00 22.12 C ATOM 1312 C GLU A 77 -8.654 7.773 9.157 1.00 21.20 C ATOM 1313 O GLU A 77 -7.782 7.105 8.603 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.365 9.855 7.961 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.804 11.329 8.068 1.00 15.44 C ATOM 1316 CD GLU A 77 -8.796 12.301 7.470 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -9.029 12.707 6.312 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -7.786 12.585 8.149 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.875 10.197 8.269 1.00 21.31 H new ATOM 0 HA GLU A 77 -8.977 9.709 10.082 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.766 9.738 7.058 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.255 9.238 7.836 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -10.762 11.453 7.563 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -9.962 11.579 9.117 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.751 7.267 9.735 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.133 5.862 9.671 1.00 3.40 C ATOM 1327 C LYS A 78 -11.538 5.751 9.064 1.00 71.00 C ATOM 1328 O LYS A 78 -12.410 6.552 9.401 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.088 5.238 11.074 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.679 5.148 11.689 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.594 4.088 12.800 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.365 2.668 12.254 1.00 24.13 C ATOM 1333 NZ LYS A 78 -8.695 1.642 13.257 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.406 7.838 10.269 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.432 5.316 9.040 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.724 5.823 11.738 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.514 4.236 11.026 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -7.958 4.910 10.907 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.399 6.120 12.095 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.782 4.346 13.480 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.515 4.104 13.382 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -8.976 2.517 11.364 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.324 2.558 11.949 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.313 0.724 12.953 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -8.278 1.905 14.173 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -9.728 1.572 13.355 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.724 4.754 8.186 1.00 1.35 N ATOM 1348 CA VAL A 79 -12.991 4.472 7.508 1.00 52.00 C ATOM 1349 C VAL A 79 -13.181 2.957 7.333 1.00 21.12 C ATOM 1350 O VAL A 79 -12.217 2.240 7.061 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.083 5.145 6.103 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.180 6.676 6.196 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -11.981 4.730 5.105 1.00 11.12 C ATOM 0 H VAL A 79 -10.979 4.109 7.924 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.775 4.888 8.141 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.014 4.757 5.691 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.242 7.098 5.193 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.071 6.950 6.761 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.296 7.067 6.700 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.132 5.251 4.159 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.004 4.992 5.512 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.028 3.654 4.938 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.442 2.513 7.467 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.872 1.141 7.202 1.00 4.31 C ATOM 1365 C LYS A 80 -14.908 0.855 5.692 1.00 51.25 C ATOM 1366 O LYS A 80 -15.387 1.693 4.924 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.248 0.901 7.849 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.184 0.814 9.386 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.554 0.633 10.067 1.00 15.03 C ATOM 1370 CE LYS A 80 -18.340 -0.579 9.547 1.00 54.32 C ATOM 1371 NZ LYS A 80 -19.558 -0.832 10.332 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.205 3.118 7.770 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.152 0.451 7.642 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.923 1.708 7.564 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.672 -0.023 7.456 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.540 -0.020 9.665 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.717 1.721 9.771 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -17.406 0.526 11.142 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.148 1.534 9.915 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -18.610 -0.414 8.504 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -17.702 -1.462 9.575 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -20.055 -1.659 9.944 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -19.301 -1.016 11.323 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -20.180 -0.000 10.285 1.00 45.32 H new ATOM 1385 N THR A 81 -14.393 -0.320 5.306 1.00 62.20 N ATOM 1386 CA THR A 81 -14.220 -0.723 3.915 1.00 53.21 C ATOM 1387 C THR A 81 -13.999 -2.245 3.811 1.00 74.41 C ATOM 1388 O THR A 81 -13.303 -2.829 4.642 1.00 1.11 O ATOM 1389 CB THR A 81 -13.037 0.041 3.242 1.00 31.43 C ATOM 1390 OG1 THR A 81 -12.821 -0.409 1.922 1.00 61.52 O ATOM 1391 CG2 THR A 81 -11.686 -0.094 3.964 1.00 11.41 C ATOM 0 H THR A 81 -14.080 -1.028 5.971 1.00 62.20 H new ATOM 0 HA THR A 81 -15.135 -0.464 3.383 1.00 53.21 H new ATOM 0 HB THR A 81 -13.355 1.083 3.282 1.00 31.43 H new ATOM 0 HG1 THR A 81 -12.916 0.343 1.300 1.00 61.52 H new ATOM 0 HG21 THR A 81 -10.926 0.470 3.423 1.00 11.41 H new ATOM 0 HG22 THR A 81 -11.775 0.296 4.978 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.398 -1.145 4.004 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.587 -2.851 2.767 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.388 -4.254 2.410 1.00 2.52 C ATOM 1401 C VAL A 82 -13.162 -4.385 1.491 1.00 71.31 C ATOM 1402 O VAL A 82 -12.975 -3.553 0.600 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.632 -4.826 1.667 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.452 -6.262 1.122 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -16.879 -4.793 2.569 1.00 41.33 C ATOM 0 H VAL A 82 -15.226 -2.364 2.138 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.236 -4.817 3.331 1.00 2.52 H new ATOM 0 HB VAL A 82 -15.759 -4.171 0.805 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.367 -6.578 0.621 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.624 -6.281 0.413 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.238 -6.940 1.948 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.732 -5.198 2.025 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.699 -5.393 3.461 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.090 -3.764 2.861 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.381 -5.454 1.707 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.272 -5.832 0.836 1.00 1.45 C ATOM 1417 C VAL A 83 -11.568 -7.216 0.231 1.00 42.54 C ATOM 1418 O VAL A 83 -12.100 -8.083 0.919 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.920 -5.910 1.601 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.724 -6.165 0.656 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.673 -4.655 2.462 1.00 54.42 C ATOM 0 H VAL A 83 -12.508 -6.083 2.500 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.180 -5.067 0.065 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.000 -6.767 2.269 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.804 -6.211 1.238 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.869 -7.110 0.132 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.654 -5.354 -0.069 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.718 -4.751 2.979 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.652 -3.773 1.822 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.474 -4.553 3.194 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.206 -7.380 -1.046 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.276 -8.625 -1.804 1.00 63.42 C ATOM 1433 C GLN A 84 -9.857 -9.079 -2.171 1.00 34.52 C ATOM 1434 O GLN A 84 -8.923 -8.281 -2.109 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.096 -8.373 -3.093 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.581 -8.012 -2.865 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.384 -9.101 -2.144 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.076 -10.287 -2.237 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.443 -8.700 -1.439 1.00 15.21 N ATOM 0 H GLN A 84 -10.839 -6.608 -1.602 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.754 -9.402 -1.208 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.624 -7.566 -3.653 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.047 -9.266 -3.717 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.635 -7.091 -2.285 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.047 -7.810 -3.829 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.671 -7.708 -1.382 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.024 -9.386 -0.957 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.739 -10.347 -2.594 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.532 -10.891 -3.208 1.00 3.11 C ATOM 1450 C LEU A 85 -8.954 -11.740 -4.408 1.00 44.15 C ATOM 1451 O LEU A 85 -9.601 -12.772 -4.223 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.687 -11.664 -2.166 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.308 -12.165 -2.683 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.182 -11.981 -1.644 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.361 -13.622 -3.192 1.00 63.34 C ATOM 0 H LEU A 85 -10.494 -11.028 -2.515 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.881 -10.095 -3.569 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.523 -11.019 -1.303 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.262 -12.522 -1.818 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.067 -11.531 -3.536 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.242 -12.347 -2.057 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.083 -10.924 -1.398 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.424 -12.542 -0.741 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.373 -13.922 -3.541 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -6.674 -14.280 -2.381 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.074 -13.695 -4.014 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.555 -11.295 -5.607 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.637 -12.075 -6.839 1.00 41.11 C ATOM 1469 C GLU A 86 -7.461 -13.060 -6.900 1.00 1.21 C ATOM 1470 O GLU A 86 -6.361 -12.724 -6.452 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.627 -11.134 -8.061 1.00 33.43 C ATOM 1472 CG GLU A 86 -9.842 -10.184 -8.112 1.00 24.04 C ATOM 1473 CD GLU A 86 -9.865 -9.320 -9.374 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -10.024 -8.089 -9.219 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -9.741 -9.901 -10.474 1.00 55.51 O1- ATOM 0 H GLU A 86 -8.160 -10.365 -5.745 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.569 -12.640 -6.852 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.712 -10.542 -8.047 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.605 -11.733 -8.971 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -10.759 -10.771 -8.062 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -9.829 -9.538 -7.235 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.717 -14.246 -7.478 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.765 -15.358 -7.602 1.00 74.23 C ATOM 1484 C GLY A 87 -5.531 -15.036 -8.464 1.00 62.21 C ATOM 1485 O GLY A 87 -4.542 -15.764 -8.391 1.00 1.23 O ATOM 0 H GLY A 87 -8.627 -14.462 -7.886 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.433 -15.650 -6.606 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.280 -16.217 -8.031 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.564 -13.923 -9.219 1.00 51.20 N ATOM 1490 CA ASP A 88 -4.453 -13.334 -9.978 1.00 31.33 C ATOM 1491 C ASP A 88 -3.443 -12.577 -9.083 1.00 53.45 C ATOM 1492 O ASP A 88 -2.768 -11.681 -9.588 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.948 -12.411 -11.130 1.00 70.11 C ATOM 1494 CG ASP A 88 -6.068 -12.967 -12.019 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -6.216 -14.208 -12.085 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -6.707 -12.128 -12.689 1.00 44.22 O1- ATOM 0 H ASP A 88 -6.421 -13.380 -9.320 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.929 -14.181 -10.420 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -5.293 -11.474 -10.692 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -4.095 -12.171 -11.765 1.00 70.11 H new ATOM 1501 N ASN A 89 -3.363 -12.935 -7.785 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.567 -12.343 -6.698 1.00 32.45 C ATOM 1503 C ASN A 89 -2.765 -10.821 -6.536 1.00 53.43 C ATOM 1504 O ASN A 89 -1.784 -10.100 -6.368 1.00 3.32 O ATOM 1505 CB ASN A 89 -1.080 -12.817 -6.701 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.275 -12.611 -7.994 1.00 25.31 C ATOM 1507 OD1 ASN A 89 0.107 -13.577 -8.648 1.00 53.32 O ATOM 1508 ND2 ASN A 89 -0.017 -11.358 -8.373 1.00 2.41 N ATOM 0 H ASN A 89 -3.910 -13.725 -7.441 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.979 -12.750 -5.775 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.560 -12.300 -5.894 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -1.065 -13.880 -6.460 1.00 21.54 H new ATOM 0 HD21 ASN A 89 0.511 -11.182 -9.228 1.00 2.41 H new ATOM 0 HD22 ASN A 89 -0.348 -10.576 -7.808 1.00 2.41 H new ATOM 1515 N LYS A 90 -4.030 -10.371 -6.605 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.417 -8.962 -6.559 1.00 75.42 C ATOM 1517 C LYS A 90 -5.434 -8.743 -5.431 1.00 54.10 C ATOM 1518 O LYS A 90 -6.599 -9.103 -5.593 1.00 42.13 O ATOM 1519 CB LYS A 90 -5.009 -8.544 -7.926 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.976 -8.480 -9.067 1.00 64.21 C ATOM 1521 CD LYS A 90 -4.617 -8.468 -10.466 1.00 11.12 C ATOM 1522 CE LYS A 90 -5.028 -7.073 -10.956 1.00 74.24 C ATOM 1523 NZ LYS A 90 -3.889 -6.359 -11.556 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.828 -10.999 -6.697 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.542 -8.344 -6.357 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.794 -9.249 -8.200 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.480 -7.567 -7.822 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.366 -7.585 -8.946 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -3.305 -9.336 -8.989 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -3.915 -8.899 -11.179 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -5.497 -9.111 -10.456 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.829 -7.164 -11.689 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -5.424 -6.494 -10.121 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -4.086 -5.338 -11.567 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -3.032 -6.540 -10.996 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -3.744 -6.694 -12.530 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.990 -8.094 -4.341 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.865 -7.448 -3.355 1.00 44.30 C ATOM 1539 C LEU A 91 -6.544 -6.231 -3.999 1.00 43.45 C ATOM 1540 O LEU A 91 -5.881 -5.526 -4.758 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.033 -6.972 -2.142 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.543 -8.085 -1.193 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.414 -7.588 -0.270 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.702 -8.652 -0.359 1.00 64.04 C ATOM 0 H LEU A 91 -3.998 -8.004 -4.120 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.616 -8.165 -3.022 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.165 -6.426 -2.511 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.633 -6.267 -1.567 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.142 -8.884 -1.816 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.095 -8.400 0.384 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.570 -7.255 -0.874 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -3.777 -6.757 0.334 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.327 -9.435 0.301 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.144 -7.855 0.239 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.458 -9.069 -1.024 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.831 -6.004 -3.690 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.618 -4.893 -4.233 1.00 34.04 C ATOM 1558 C VAL A 92 -9.530 -4.325 -3.128 1.00 1.21 C ATOM 1559 O VAL A 92 -10.233 -5.095 -2.476 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.502 -5.334 -5.440 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.395 -4.203 -6.000 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.668 -5.929 -6.592 1.00 51.23 C ATOM 0 H VAL A 92 -8.358 -6.596 -3.048 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.918 -4.136 -4.586 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.153 -6.105 -5.028 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.981 -4.583 -6.837 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -11.066 -3.849 -5.218 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.768 -3.379 -6.341 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.330 -6.220 -7.408 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.958 -5.184 -6.950 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.126 -6.804 -6.234 1.00 51.23 H new ATOM 1572 N THR A 93 -9.527 -2.993 -2.961 1.00 62.12 N ATOM 1573 CA THR A 93 -10.338 -2.267 -1.977 1.00 15.25 C ATOM 1574 C THR A 93 -10.539 -0.792 -2.403 1.00 24.45 C ATOM 1575 O THR A 93 -9.918 -0.354 -3.372 1.00 31.45 O ATOM 1576 CB THR A 93 -9.728 -2.386 -0.545 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.552 -1.791 0.438 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.336 -1.767 -0.355 1.00 53.44 C ATOM 0 H THR A 93 -8.942 -2.376 -3.524 1.00 62.12 H new ATOM 0 HA THR A 93 -11.324 -2.730 -1.943 1.00 15.25 H new ATOM 0 HB THR A 93 -9.648 -3.467 -0.427 1.00 54.24 H new ATOM 0 HG1 THR A 93 -11.371 -2.320 0.542 1.00 74.54 H new ATOM 0 HG21 THR A 93 -8.012 -1.909 0.676 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.628 -2.251 -1.027 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.378 -0.701 -0.579 1.00 53.44 H new ATOM 1586 N THR A 94 -11.436 -0.065 -1.717 1.00 1.14 N ATOM 1587 CA THR A 94 -11.785 1.329 -2.002 1.00 54.14 C ATOM 1588 C THR A 94 -12.117 2.056 -0.681 1.00 52.11 C ATOM 1589 O THR A 94 -13.060 1.668 0.008 1.00 1.32 O ATOM 1590 CB THR A 94 -13.018 1.438 -2.952 1.00 44.02 C ATOM 1591 OG1 THR A 94 -14.146 0.743 -2.446 1.00 73.45 O ATOM 1592 CG2 THR A 94 -12.767 0.924 -4.376 1.00 1.00 C ATOM 0 H THR A 94 -11.952 -0.447 -0.925 1.00 1.14 H new ATOM 0 HA THR A 94 -10.928 1.788 -2.495 1.00 54.14 H new ATOM 0 HB THR A 94 -13.208 2.510 -2.997 1.00 44.02 H new ATOM 0 HG1 THR A 94 -14.103 0.719 -1.467 1.00 73.45 H new ATOM 0 HG21 THR A 94 -13.675 1.037 -4.969 1.00 1.00 H new ATOM 0 HG22 THR A 94 -11.961 1.498 -4.833 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.486 -0.129 -4.339 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.346 3.112 -0.367 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.471 3.901 0.864 1.00 32.54 C ATOM 1602 C PHE A 95 -11.417 5.397 0.501 1.00 11.00 C ATOM 1603 O PHE A 95 -10.470 5.823 -0.151 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.366 3.458 1.862 1.00 13.41 C ATOM 1605 CG PHE A 95 -8.922 3.812 1.526 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.191 3.029 0.608 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.349 5.011 2.009 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -6.911 3.412 0.234 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.067 5.376 1.620 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.350 4.578 0.738 1.00 64.14 C ATOM 0 H PHE A 95 -10.602 3.446 -0.979 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.426 3.731 1.360 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.600 3.891 2.834 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.429 2.375 1.972 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.628 2.131 0.196 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.909 5.644 2.681 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.347 2.799 -0.454 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.626 6.284 2.005 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.352 4.866 0.443 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.438 6.170 0.912 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.606 7.613 0.639 1.00 2.14 C ATOM 1622 C LYS A 96 -12.574 7.984 -0.867 1.00 73.30 C ATOM 1623 O LYS A 96 -11.978 9.001 -1.225 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.578 8.465 1.432 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.635 8.347 2.966 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.094 9.606 3.679 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.659 10.006 3.283 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.291 11.329 3.821 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.204 5.791 1.469 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.611 7.851 0.987 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.577 8.186 1.104 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.721 9.512 1.164 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.666 8.173 3.275 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -11.057 7.479 3.282 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.761 10.442 3.467 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.126 9.439 4.756 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -8.958 9.256 3.651 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.572 10.018 2.197 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -8.325 11.570 3.519 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -9.955 12.046 3.464 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -9.333 11.305 4.860 1.00 40.12 H new ATOM 1642 N ASN A 97 -13.165 7.135 -1.732 1.00 34.43 N ATOM 1643 CA ASN A 97 -13.127 7.214 -3.206 1.00 42.31 C ATOM 1644 C ASN A 97 -11.752 6.852 -3.822 1.00 20.05 C ATOM 1645 O ASN A 97 -11.661 6.739 -5.046 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.626 8.600 -3.717 1.00 63.24 C ATOM 1647 CG ASN A 97 -14.131 8.622 -5.165 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.772 7.682 -5.631 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.852 9.711 -5.885 1.00 21.54 N ATOM 0 H ASN A 97 -13.709 6.336 -1.405 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.818 6.446 -3.554 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -14.429 8.942 -3.064 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.812 9.318 -3.623 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -14.173 9.780 -6.851 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -13.318 10.474 -5.469 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.712 6.653 -2.992 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.379 6.242 -3.419 1.00 11.54 C ATOM 1658 C ILE A 98 -9.425 4.731 -3.708 1.00 44.12 C ATOM 1659 O ILE A 98 -9.530 3.931 -2.777 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.271 6.521 -2.346 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -8.290 7.979 -1.822 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.857 6.150 -2.844 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.668 8.158 -0.431 1.00 25.24 C ATOM 0 H ILE A 98 -10.786 6.779 -1.983 1.00 51.10 H new ATOM 0 HA ILE A 98 -9.114 6.825 -4.301 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.517 5.867 -1.509 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.757 8.614 -2.530 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -9.322 8.329 -1.794 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -6.128 6.363 -2.062 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.825 5.089 -3.090 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.619 6.736 -3.732 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.722 9.207 -0.140 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -8.214 7.552 0.292 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.625 7.842 -0.455 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.339 4.385 -5.004 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.114 3.031 -5.514 1.00 5.21 C ATOM 1677 C LYS A 99 -7.801 2.482 -4.936 1.00 52.23 C ATOM 1678 O LYS A 99 -6.863 3.253 -4.745 1.00 5.11 O ATOM 1679 CB LYS A 99 -9.043 3.100 -7.058 1.00 24.03 C ATOM 1680 CG LYS A 99 -8.920 1.757 -7.814 1.00 41.04 C ATOM 1681 CD LYS A 99 -10.270 1.082 -8.120 1.00 15.11 C ATOM 1682 CE LYS A 99 -10.747 1.285 -9.571 1.00 4.42 C ATOM 1683 NZ LYS A 99 -10.889 2.710 -9.926 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.429 5.073 -5.752 1.00 23.23 H new ATOM 0 HA LYS A 99 -9.925 2.366 -5.217 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -9.937 3.610 -7.416 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -8.190 3.722 -7.331 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -8.390 1.927 -8.751 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -8.310 1.074 -7.223 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -10.186 0.014 -7.920 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -11.026 1.475 -7.440 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -10.039 0.813 -10.252 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -11.704 0.783 -9.709 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -11.228 2.792 -10.906 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -11.572 3.161 -9.284 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -9.967 3.183 -9.838 1.00 61.23 H new ATOM 1697 N SER A 100 -7.756 1.176 -4.673 1.00 12.14 N ATOM 1698 CA SER A 100 -6.577 0.510 -4.149 1.00 4.03 C ATOM 1699 C SER A 100 -6.492 -0.881 -4.764 1.00 14.30 C ATOM 1700 O SER A 100 -7.462 -1.638 -4.710 1.00 34.33 O ATOM 1701 CB SER A 100 -6.647 0.487 -2.612 1.00 31.31 C ATOM 1702 OG SER A 100 -5.609 -0.277 -2.029 1.00 30.12 O ATOM 0 H SER A 100 -8.548 0.550 -4.821 1.00 12.14 H new ATOM 0 HA SER A 100 -5.665 1.044 -4.415 1.00 4.03 H new ATOM 0 HB2 SER A 100 -6.596 1.508 -2.235 1.00 31.31 H new ATOM 0 HB3 SER A 100 -7.610 0.080 -2.302 1.00 31.31 H new ATOM 0 HG SER A 100 -5.697 -0.258 -1.053 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.310 -1.181 -5.309 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.903 -2.505 -5.745 1.00 41.42 C ATOM 1710 C VAL A 101 -3.493 -2.737 -5.183 1.00 73.31 C ATOM 1711 O VAL A 101 -2.661 -1.838 -5.294 1.00 50.41 O ATOM 1712 CB VAL A 101 -4.863 -2.631 -7.297 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.316 -3.986 -7.800 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.246 -2.374 -7.923 1.00 33.25 C ATOM 0 H VAL A 101 -4.588 -0.477 -5.461 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.622 -3.242 -5.387 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.164 -1.860 -7.621 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.319 -3.998 -8.890 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.297 -4.124 -7.439 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -4.946 -4.794 -7.427 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.179 -2.471 -9.007 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -6.961 -3.101 -7.538 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.579 -1.368 -7.669 1.00 33.25 H new ATOM 1724 N THR A 102 -3.248 -3.933 -4.620 1.00 24.33 N ATOM 1725 CA THR A 102 -1.909 -4.396 -4.246 1.00 33.12 C ATOM 1726 C THR A 102 -1.657 -5.754 -4.913 1.00 23.12 C ATOM 1727 O THR A 102 -2.525 -6.621 -4.826 1.00 43.43 O ATOM 1728 CB THR A 102 -1.711 -4.595 -2.719 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.192 -3.475 -2.005 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.236 -4.812 -2.337 1.00 31.04 C ATOM 0 H THR A 102 -3.984 -4.608 -4.412 1.00 24.33 H new ATOM 0 HA THR A 102 -1.217 -3.620 -4.572 1.00 33.12 H new ATOM 0 HB THR A 102 -2.274 -5.490 -2.455 1.00 41.33 H new ATOM 0 HG1 THR A 102 -1.666 -2.684 -2.245 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.155 -4.946 -1.258 1.00 31.04 H new ATOM 0 HG22 THR A 102 0.144 -5.700 -2.842 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.350 -3.944 -2.640 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.493 -5.915 -5.559 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.183 -7.069 -6.396 1.00 44.25 C ATOM 1740 C GLU A 103 1.226 -7.609 -6.109 1.00 51.33 C ATOM 1741 O GLU A 103 2.188 -6.842 -6.129 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.404 -6.670 -7.868 1.00 1.24 C ATOM 1743 CG GLU A 103 -0.200 -7.813 -8.880 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.423 -7.378 -10.329 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -1.251 -6.464 -10.547 1.00 13.35 O ATOM 1746 OE2 GLU A 103 0.234 -7.981 -11.204 1.00 63.03 O1- ATOM 0 H GLU A 103 0.266 -5.235 -5.510 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.850 -7.899 -6.165 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.417 -6.282 -7.977 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.278 -5.856 -8.116 1.00 1.24 H new ATOM 0 HG2 GLU A 103 0.811 -8.206 -8.776 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.884 -8.627 -8.642 1.00 23.53 H new ATOM 1753 N LEU A 104 1.304 -8.930 -5.872 1.00 12.24 N ATOM 1754 CA LEU A 104 2.512 -9.684 -5.537 1.00 3.33 C ATOM 1755 C LEU A 104 3.091 -10.349 -6.799 1.00 4.31 C ATOM 1756 O LEU A 104 2.692 -11.462 -7.138 1.00 24.51 O ATOM 1757 CB LEU A 104 2.117 -10.717 -4.449 1.00 50.23 C ATOM 1758 CG LEU A 104 3.207 -11.720 -4.002 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.310 -11.046 -3.170 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.565 -12.874 -3.220 1.00 40.33 C ATOM 0 H LEU A 104 0.478 -9.527 -5.913 1.00 12.24 H new ATOM 0 HA LEU A 104 3.297 -9.035 -5.150 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.780 -10.169 -3.569 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.263 -11.286 -4.817 1.00 50.23 H new ATOM 0 HG LEU A 104 3.684 -12.114 -4.899 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.052 -11.790 -2.879 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.789 -10.268 -3.764 1.00 52.40 H new ATOM 0 HD13 LEU A 104 3.872 -10.602 -2.276 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.338 -13.577 -2.908 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.057 -12.479 -2.340 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.843 -13.387 -3.856 1.00 40.33 H new ATOM 1772 N ASN A 105 4.045 -9.677 -7.459 1.00 14.25 N ATOM 1773 CA ASN A 105 4.818 -10.227 -8.580 1.00 22.34 C ATOM 1774 C ASN A 105 6.077 -10.920 -8.030 1.00 31.52 C ATOM 1775 O ASN A 105 7.179 -10.382 -8.143 1.00 42.33 O ATOM 1776 CB ASN A 105 5.162 -9.101 -9.594 1.00 62.45 C ATOM 1777 CG ASN A 105 3.977 -8.483 -10.351 1.00 34.21 C ATOM 1778 OD1 ASN A 105 4.124 -7.414 -10.936 1.00 21.24 O ATOM 1779 ND2 ASN A 105 2.813 -9.138 -10.373 1.00 62.21 N ATOM 0 H ASN A 105 4.305 -8.719 -7.224 1.00 14.25 H new ATOM 0 HA ASN A 105 4.230 -10.971 -9.117 1.00 22.34 H new ATOM 0 HB2 ASN A 105 5.679 -8.305 -9.059 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.864 -9.502 -10.325 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.020 -8.751 -10.885 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.717 -10.025 -9.878 1.00 62.21 H new ATOM 1786 N GLY A 106 5.872 -12.108 -7.431 1.00 23.14 N ATOM 1787 CA GLY A 106 6.919 -12.939 -6.836 1.00 31.34 C ATOM 1788 C GLY A 106 7.380 -12.320 -5.513 1.00 2.33 C ATOM 1789 O GLY A 106 6.812 -12.610 -4.462 1.00 44.23 O ATOM 0 H GLY A 106 4.944 -12.522 -7.349 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.543 -13.948 -6.665 1.00 31.34 H new ATOM 0 HA3 GLY A 106 7.762 -13.025 -7.522 1.00 31.34 H new ATOM 1793 N ASP A 107 8.426 -11.485 -5.597 1.00 52.25 N ATOM 1794 CA ASP A 107 9.064 -10.766 -4.488 1.00 15.31 C ATOM 1795 C ASP A 107 8.885 -9.238 -4.595 1.00 53.11 C ATOM 1796 O ASP A 107 9.369 -8.525 -3.716 1.00 64.54 O ATOM 1797 CB ASP A 107 10.572 -11.104 -4.377 1.00 73.33 C ATOM 1798 CG ASP A 107 10.894 -12.598 -4.419 1.00 71.23 C ATOM 1799 OD1 ASP A 107 10.620 -13.262 -3.396 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.434 -13.040 -5.455 1.00 42.41 O1- ATOM 0 H ASP A 107 8.873 -11.283 -6.491 1.00 52.25 H new ATOM 0 HA ASP A 107 8.557 -11.105 -3.584 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.103 -10.608 -5.190 1.00 73.33 H new ATOM 0 HB3 ASP A 107 10.956 -10.689 -3.445 1.00 73.33 H new ATOM 1805 N ILE A 108 8.222 -8.750 -5.658 1.00 11.24 N ATOM 1806 CA ILE A 108 8.037 -7.325 -5.931 1.00 74.42 C ATOM 1807 C ILE A 108 6.558 -6.973 -5.694 1.00 20.20 C ATOM 1808 O ILE A 108 5.679 -7.641 -6.237 1.00 10.32 O ATOM 1809 CB ILE A 108 8.389 -6.972 -7.410 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.735 -7.573 -7.883 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.350 -5.452 -7.681 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.966 -7.138 -7.078 1.00 15.22 C ATOM 0 H ILE A 108 7.794 -9.352 -6.362 1.00 11.24 H new ATOM 0 HA ILE A 108 8.698 -6.762 -5.272 1.00 74.42 H new ATOM 0 HB ILE A 108 7.604 -7.441 -8.002 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.662 -8.660 -7.845 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.889 -7.300 -8.927 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.602 -5.262 -8.724 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.350 -5.071 -7.474 1.00 72.23 H new ATOM 0 HG23 ILE A 108 9.070 -4.949 -7.036 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.856 -7.614 -7.489 1.00 15.22 H new ATOM 0 HD12 ILE A 108 11.074 -6.055 -7.135 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.844 -7.436 -6.037 1.00 15.22 H new ATOM 1824 N ILE A 109 6.316 -5.924 -4.895 1.00 41.02 N ATOM 1825 CA ILE A 109 4.985 -5.426 -4.567 1.00 74.12 C ATOM 1826 C ILE A 109 4.715 -4.147 -5.367 1.00 72.34 C ATOM 1827 O ILE A 109 5.376 -3.132 -5.144 1.00 74.32 O ATOM 1828 CB ILE A 109 4.835 -5.096 -3.052 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.094 -6.335 -2.174 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.486 -4.439 -2.675 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.172 -7.533 -2.431 1.00 62.41 C ATOM 0 H ILE A 109 7.063 -5.390 -4.451 1.00 41.02 H new ATOM 0 HA ILE A 109 4.272 -6.211 -4.818 1.00 74.12 H new ATOM 0 HB ILE A 109 5.603 -4.349 -2.851 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.125 -6.655 -2.323 1.00 55.55 H new ATOM 0 HG13 ILE A 109 4.998 -6.043 -1.128 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.464 -4.242 -1.603 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.374 -3.501 -3.218 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.668 -5.110 -2.938 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.440 -8.349 -1.760 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.137 -7.241 -2.251 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.282 -7.862 -3.464 1.00 62.41 H new ATOM 1843 N THR A 110 3.705 -4.217 -6.243 1.00 52.21 N ATOM 1844 CA THR A 110 3.090 -3.047 -6.853 1.00 55.31 C ATOM 1845 C THR A 110 1.862 -2.665 -6.013 1.00 60.14 C ATOM 1846 O THR A 110 1.053 -3.534 -5.700 1.00 33.00 O ATOM 1847 CB THR A 110 2.608 -3.351 -8.298 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.743 -3.562 -9.115 1.00 43.22 O ATOM 1849 CG2 THR A 110 1.757 -2.250 -8.966 1.00 74.24 C ATOM 0 H THR A 110 3.293 -5.099 -6.547 1.00 52.21 H new ATOM 0 HA THR A 110 3.826 -2.244 -6.891 1.00 55.31 H new ATOM 0 HB THR A 110 1.962 -4.224 -8.206 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.455 -3.757 -10.031 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.475 -2.567 -9.970 1.00 74.24 H new ATOM 0 HG22 THR A 110 0.858 -2.076 -8.375 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.336 -1.328 -9.025 1.00 74.24 H new ATOM 1857 N ASN A 111 1.730 -1.366 -5.724 1.00 41.41 N ATOM 1858 CA ASN A 111 0.498 -0.707 -5.298 1.00 23.41 C ATOM 1859 C ASN A 111 0.125 0.278 -6.409 1.00 62.20 C ATOM 1860 O ASN A 111 0.994 0.971 -6.930 1.00 20.43 O ATOM 1861 CB ASN A 111 0.731 0.019 -3.955 1.00 72.21 C ATOM 1862 CG ASN A 111 0.403 -0.847 -2.741 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -0.865 -0.830 -2.322 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 1.275 -1.510 -2.185 1.00 23.45 N flip ATOM 0 H ASN A 111 2.516 -0.719 -5.784 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.311 -1.420 -5.139 1.00 23.41 H new ATOM 0 HB2 ASN A 111 1.772 0.337 -3.896 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.120 0.921 -3.926 1.00 72.21 H new ATOM 0 HD21 ASN A 111 2.232 -1.494 -2.539 1.00 23.45 H new ATOM 0 HD22 ASN A 111 1.043 -2.077 -1.370 1.00 23.45 H new ATOM 1871 N THR A 112 -1.172 0.321 -6.737 1.00 33.00 N ATOM 1872 CA THR A 112 -1.749 1.249 -7.706 1.00 72.14 C ATOM 1873 C THR A 112 -3.011 1.838 -7.066 1.00 63.23 C ATOM 1874 O THR A 112 -3.947 1.091 -6.778 1.00 44.44 O ATOM 1875 CB THR A 112 -2.131 0.539 -9.031 1.00 60.33 C ATOM 1876 OG1 THR A 112 -0.960 0.015 -9.626 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.814 1.447 -10.072 1.00 12.21 C ATOM 0 H THR A 112 -1.863 -0.305 -6.324 1.00 33.00 H new ATOM 0 HA THR A 112 -1.017 2.018 -7.952 1.00 72.14 H new ATOM 0 HB THR A 112 -2.850 -0.232 -8.755 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.193 -0.437 -10.464 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.045 0.867 -10.965 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.736 1.851 -9.653 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.145 2.267 -10.335 1.00 12.21 H new ATOM 1885 N MET A 113 -2.978 3.155 -6.816 1.00 11.55 N ATOM 1886 CA MET A 113 -4.007 3.882 -6.077 1.00 52.41 C ATOM 1887 C MET A 113 -4.511 5.044 -6.942 1.00 43.21 C ATOM 1888 O MET A 113 -3.693 5.852 -7.370 1.00 62.25 O ATOM 1889 CB MET A 113 -3.461 4.400 -4.719 1.00 24.04 C ATOM 1890 CG MET A 113 -2.413 3.521 -4.000 1.00 35.13 C ATOM 1891 SD MET A 113 -3.004 1.950 -3.319 1.00 42.04 S ATOM 1892 CE MET A 113 -3.794 2.583 -1.815 1.00 12.50 C ATOM 0 H MET A 113 -2.215 3.754 -7.132 1.00 11.55 H new ATOM 0 HA MET A 113 -4.834 3.207 -5.855 1.00 52.41 H new ATOM 0 HB2 MET A 113 -3.021 5.384 -4.884 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.306 4.538 -4.045 1.00 24.04 H new ATOM 0 HG2 MET A 113 -1.608 3.307 -4.703 1.00 35.13 H new ATOM 0 HG3 MET A 113 -1.980 4.103 -3.187 1.00 35.13 H new ATOM 0 HE1 MET A 113 -4.223 1.754 -1.253 1.00 12.50 H new ATOM 0 HE2 MET A 113 -3.051 3.092 -1.201 1.00 12.50 H new ATOM 0 HE3 MET A 113 -4.583 3.284 -2.086 1.00 12.50 H new ATOM 1902 N THR A 114 -5.828 5.131 -7.186 1.00 70.23 N ATOM 1903 CA THR A 114 -6.401 6.161 -8.061 1.00 53.04 C ATOM 1904 C THR A 114 -7.517 6.929 -7.338 1.00 72.10 C ATOM 1905 O THR A 114 -8.527 6.333 -6.966 1.00 25.44 O ATOM 1906 CB THR A 114 -6.960 5.568 -9.384 1.00 25.24 C ATOM 1907 OG1 THR A 114 -5.923 4.890 -10.068 1.00 22.51 O ATOM 1908 CG2 THR A 114 -7.563 6.604 -10.351 1.00 60.41 C ATOM 0 H THR A 114 -6.518 4.495 -6.786 1.00 70.23 H new ATOM 0 HA THR A 114 -5.588 6.842 -8.313 1.00 53.04 H new ATOM 0 HB THR A 114 -7.770 4.903 -9.084 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.273 4.513 -10.902 1.00 22.51 H new ATOM 0 HG21 THR A 114 -7.927 6.098 -11.245 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.391 7.119 -9.863 1.00 60.41 H new ATOM 0 HG23 THR A 114 -6.799 7.329 -10.630 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.308 8.244 -7.179 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.246 9.180 -6.569 1.00 55.34 C ATOM 1918 C LEU A 115 -8.589 10.246 -7.614 1.00 64.34 C ATOM 1919 O LEU A 115 -7.847 11.219 -7.763 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.597 9.768 -5.293 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.445 10.810 -4.518 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -9.828 10.263 -4.094 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -7.650 11.394 -3.329 1.00 53.31 C ATOM 0 H LEU A 115 -6.446 8.696 -7.486 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.175 8.699 -6.263 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.361 8.946 -4.617 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.651 10.233 -5.571 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.656 11.629 -5.206 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -10.376 11.037 -3.556 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -10.391 9.970 -4.980 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -9.694 9.396 -3.447 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -8.266 12.122 -2.802 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -7.374 10.590 -2.646 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -6.748 11.882 -3.699 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.703 10.024 -8.333 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.177 10.900 -9.401 1.00 74.52 C ATOM 1937 C GLY A 116 -9.187 10.884 -10.573 1.00 34.22 C ATOM 1938 O GLY A 116 -8.852 9.818 -11.090 1.00 60.22 O ATOM 0 H GLY A 116 -10.305 9.215 -8.180 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.160 10.574 -9.740 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.291 11.917 -9.025 1.00 74.52 H new ATOM 1942 N ASP A 117 -8.740 12.082 -10.982 1.00 65.24 N ATOM 1943 CA ASP A 117 -7.785 12.307 -12.070 1.00 12.31 C ATOM 1944 C ASP A 117 -6.334 11.908 -11.696 1.00 24.33 C ATOM 1945 O ASP A 117 -5.526 11.706 -12.602 1.00 32.21 O ATOM 1946 CB ASP A 117 -7.850 13.787 -12.525 1.00 10.40 C ATOM 1947 CG ASP A 117 -7.313 14.057 -13.937 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -6.791 15.176 -14.132 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.531 13.197 -14.818 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.048 12.951 -10.545 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.074 11.656 -12.895 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -8.887 14.121 -12.477 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.287 14.394 -11.816 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.021 11.798 -10.391 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.692 11.427 -9.905 1.00 63.52 C ATOM 1956 C ILE A 118 -4.544 9.894 -9.906 1.00 62.02 C ATOM 1957 O ILE A 118 -5.330 9.216 -9.246 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.433 11.923 -8.450 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -4.720 13.431 -8.264 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.012 11.580 -7.950 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -3.963 14.365 -9.218 1.00 63.33 C ATOM 0 H ILE A 118 -6.694 11.967 -9.643 1.00 63.44 H new ATOM 0 HA ILE A 118 -3.972 11.899 -10.574 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.147 11.376 -7.835 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -5.790 13.599 -8.390 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.473 13.707 -7.239 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.886 11.948 -6.932 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.872 10.499 -7.965 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.274 12.050 -8.600 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.234 15.399 -9.006 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -2.890 14.235 -9.079 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.227 14.125 -10.248 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.518 9.396 -10.613 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.141 7.984 -10.636 1.00 40.30 C ATOM 1975 C VAL A 119 -1.766 7.858 -9.957 1.00 12.04 C ATOM 1976 O VAL A 119 -0.732 8.059 -10.596 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.071 7.417 -12.085 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.601 5.946 -12.148 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.427 7.544 -12.802 1.00 31.10 C ATOM 0 H VAL A 119 -2.918 9.980 -11.195 1.00 14.52 H new ATOM 0 HA VAL A 119 -3.899 7.405 -10.109 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.323 8.025 -12.595 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.576 5.616 -13.187 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.603 5.864 -11.717 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.292 5.319 -11.585 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.344 7.139 -13.811 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.184 6.988 -12.249 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -4.714 8.594 -12.855 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.795 7.550 -8.654 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.621 7.232 -7.850 1.00 3.10 C ATOM 1991 C PHE A 120 -0.200 5.770 -8.064 1.00 33.01 C ATOM 1992 O PHE A 120 -1.053 4.900 -8.233 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.934 7.546 -6.373 1.00 54.44 C ATOM 1994 CG PHE A 120 0.164 7.289 -5.349 1.00 55.23 C ATOM 1995 CD1 PHE A 120 1.394 7.970 -5.425 1.00 15.15 C ATOM 1996 CD2 PHE A 120 -0.043 6.379 -4.289 1.00 34.05 C ATOM 1997 CE1 PHE A 120 2.379 7.736 -4.476 1.00 72.25 C ATOM 1998 CE2 PHE A 120 0.942 6.182 -3.334 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.148 6.863 -3.424 1.00 21.32 C ATOM 0 H PHE A 120 -2.664 7.516 -8.120 1.00 54.22 H new ATOM 0 HA PHE A 120 0.227 7.844 -8.158 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.217 8.596 -6.306 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.807 6.961 -6.083 1.00 54.44 H new ATOM 0 HD1 PHE A 120 1.571 8.676 -6.223 1.00 15.15 H new ATOM 0 HD2 PHE A 120 -0.973 5.834 -4.222 1.00 34.05 H new ATOM 0 HE1 PHE A 120 3.332 8.237 -4.557 1.00 72.25 H new ATOM 0 HE2 PHE A 120 0.771 5.496 -2.517 1.00 11.14 H new ATOM 0 HZ PHE A 120 2.909 6.712 -2.672 1.00 21.32 H new ATOM 2009 N LYS A 121 1.113 5.530 -8.015 1.00 52.41 N ATOM 2010 CA LYS A 121 1.696 4.195 -8.024 1.00 73.41 C ATOM 2011 C LYS A 121 2.811 4.151 -6.977 1.00 64.01 C ATOM 2012 O LYS A 121 3.370 5.185 -6.616 1.00 13.03 O ATOM 2013 CB LYS A 121 2.193 3.845 -9.444 1.00 1.55 C ATOM 2014 CG LYS A 121 2.569 2.366 -9.650 1.00 70.32 C ATOM 2015 CD LYS A 121 3.050 2.075 -11.077 1.00 62.43 C ATOM 2016 CE LYS A 121 3.360 0.587 -11.290 1.00 24.15 C ATOM 2017 NZ LYS A 121 3.884 0.339 -12.643 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.809 6.274 -7.967 1.00 52.41 H new ATOM 0 HA LYS A 121 0.954 3.441 -7.763 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.417 4.111 -10.161 1.00 1.55 H new ATOM 0 HB3 LYS A 121 3.063 4.462 -9.672 1.00 1.55 H new ATOM 0 HG2 LYS A 121 3.352 2.092 -8.943 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.705 1.740 -9.427 1.00 70.32 H new ATOM 0 HD2 LYS A 121 2.287 2.391 -11.788 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.943 2.664 -11.285 1.00 62.43 H new ATOM 0 HE2 LYS A 121 4.088 0.255 -10.549 1.00 24.15 H new ATOM 0 HE3 LYS A 121 2.456 -0.001 -11.134 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 4.084 -0.675 -12.757 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 3.179 0.634 -13.348 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 4.760 0.882 -12.781 1.00 62.52 H new ATOM 2031 N ARG A 122 3.096 2.933 -6.514 1.00 1.23 N ATOM 2032 CA ARG A 122 4.099 2.595 -5.521 1.00 45.20 C ATOM 2033 C ARG A 122 4.686 1.248 -5.943 1.00 21.25 C ATOM 2034 O ARG A 122 3.939 0.317 -6.235 1.00 54.25 O ATOM 2035 CB ARG A 122 3.407 2.529 -4.143 1.00 32.24 C ATOM 2036 CG ARG A 122 3.621 3.788 -3.294 1.00 3.01 C ATOM 2037 CD ARG A 122 4.734 3.657 -2.245 1.00 11.54 C ATOM 2038 NE ARG A 122 4.351 2.750 -1.152 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.503 3.039 -0.150 1.00 63.42 C ATOM 2040 NH1 ARG A 122 2.960 4.259 -0.019 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 3.195 2.087 0.739 1.00 34.12 N ATOM 0 H ARG A 122 2.597 2.109 -6.848 1.00 1.23 H new ATOM 0 HA ARG A 122 4.902 3.329 -5.449 1.00 45.20 H new ATOM 0 HB2 ARG A 122 2.338 2.375 -4.288 1.00 32.24 H new ATOM 0 HB3 ARG A 122 3.782 1.663 -3.597 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.856 4.623 -3.955 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.687 4.035 -2.788 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.642 3.288 -2.722 1.00 11.54 H new ATOM 0 HD3 ARG A 122 4.966 4.641 -1.837 1.00 11.54 H new ATOM 0 HE ARG A 122 4.766 1.818 -1.155 1.00 34.20 H new ATOM 0 HH11 ARG A 122 3.188 4.993 -0.689 1.00 43.43 H new ATOM 0 HH12 ARG A 122 2.319 4.452 0.751 1.00 43.43 H new ATOM 0 HH21 ARG A 122 3.602 1.156 0.651 1.00 34.12 H new ATOM 0 HH22 ARG A 122 2.553 2.292 1.504 1.00 34.12 H new ATOM 2055 N ILE A 123 6.020 1.181 -5.984 1.00 44.02 N ATOM 2056 CA ILE A 123 6.787 -0.003 -6.349 1.00 1.53 C ATOM 2057 C ILE A 123 7.783 -0.239 -5.206 1.00 42.14 C ATOM 2058 O ILE A 123 8.597 0.638 -4.919 1.00 11.14 O ATOM 2059 CB ILE A 123 7.569 0.196 -7.684 1.00 33.44 C ATOM 2060 CG1 ILE A 123 6.620 0.481 -8.875 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.496 -0.996 -8.028 1.00 11.42 C ATOM 2062 CD1 ILE A 123 7.279 1.261 -10.023 1.00 61.45 C ATOM 0 H ILE A 123 6.611 1.980 -5.755 1.00 44.02 H new ATOM 0 HA ILE A 123 6.116 -0.849 -6.499 1.00 1.53 H new ATOM 0 HB ILE A 123 8.200 1.069 -7.519 1.00 33.44 H new ATOM 0 HG12 ILE A 123 6.243 -0.466 -9.261 1.00 44.22 H new ATOM 0 HG13 ILE A 123 5.759 1.043 -8.514 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.012 -0.797 -8.967 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.229 -1.128 -7.232 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.900 -1.904 -8.127 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.551 1.421 -10.819 1.00 61.45 H new ATOM 0 HD12 ILE A 123 7.631 2.224 -9.654 1.00 61.45 H new ATOM 0 HD13 ILE A 123 8.123 0.692 -10.412 1.00 61.45 H new ATOM 2074 N SER A 124 7.674 -1.411 -4.568 1.00 22.23 N ATOM 2075 CA SER A 124 8.529 -1.847 -3.468 1.00 32.50 C ATOM 2076 C SER A 124 9.048 -3.263 -3.768 1.00 25.54 C ATOM 2077 O SER A 124 8.400 -4.007 -4.502 1.00 1.51 O ATOM 2078 CB SER A 124 7.723 -1.796 -2.154 1.00 13.10 C ATOM 2079 OG SER A 124 7.419 -0.462 -1.799 1.00 34.43 O ATOM 0 H SER A 124 6.964 -2.101 -4.815 1.00 22.23 H new ATOM 0 HA SER A 124 9.391 -1.188 -3.360 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.801 -2.366 -2.266 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.294 -2.268 -1.354 1.00 13.10 H new ATOM 0 HG SER A 124 6.906 -0.454 -0.964 1.00 34.43 H new ATOM 2085 N LYS A 125 10.217 -3.608 -3.207 1.00 24.13 N ATOM 2086 CA LYS A 125 10.937 -4.854 -3.479 1.00 34.33 C ATOM 2087 C LYS A 125 11.456 -5.454 -2.168 1.00 1.52 C ATOM 2088 O LYS A 125 11.952 -4.709 -1.322 1.00 34.02 O ATOM 2089 CB LYS A 125 12.040 -4.559 -4.523 1.00 65.50 C ATOM 2090 CG LYS A 125 13.089 -5.659 -4.779 1.00 71.15 C ATOM 2091 CD LYS A 125 14.370 -5.499 -3.936 1.00 22.53 C ATOM 2092 CE LYS A 125 15.434 -6.569 -4.226 1.00 0.14 C ATOM 2093 NZ LYS A 125 14.967 -7.918 -3.865 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.697 -3.010 -2.535 1.00 24.13 H new ATOM 0 HA LYS A 125 10.283 -5.613 -3.907 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.553 -4.331 -5.471 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.567 -3.658 -4.210 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.643 -6.631 -4.567 1.00 71.15 H new ATOM 0 HG3 LYS A 125 13.357 -5.655 -5.836 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.797 -4.514 -4.123 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.107 -5.537 -2.879 1.00 22.53 H new ATOM 0 HE2 LYS A 125 15.694 -6.546 -5.284 1.00 0.14 H new ATOM 0 HE3 LYS A 125 16.342 -6.338 -3.670 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 15.755 -8.592 -3.947 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 14.616 -7.913 -2.886 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 14.200 -8.203 -4.507 1.00 21.45 H new ATOM 2107 N ARG A 126 11.327 -6.787 -2.036 1.00 63.52 N ATOM 2108 CA ARG A 126 11.576 -7.538 -0.804 1.00 41.42 C ATOM 2109 C ARG A 126 13.037 -7.480 -0.340 1.00 12.11 C ATOM 2110 O ARG A 126 13.943 -7.778 -1.118 1.00 24.21 O ATOM 2111 CB ARG A 126 11.050 -8.983 -0.949 1.00 33.20 C ATOM 2112 CG ARG A 126 11.077 -9.832 0.341 1.00 73.33 C ATOM 2113 CD ARG A 126 9.854 -10.749 0.548 1.00 13.21 C ATOM 2114 NE ARG A 126 9.596 -11.664 -0.577 1.00 42.13 N ATOM 2115 CZ ARG A 126 8.489 -12.418 -0.722 1.00 14.43 C ATOM 2116 NH1 ARG A 126 7.465 -12.350 0.141 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 8.398 -13.259 -1.757 1.00 4.03 N ATOM 0 H ARG A 126 11.038 -7.384 -2.811 1.00 63.52 H new ATOM 0 HA ARG A 126 11.018 -7.052 -0.004 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.024 -8.943 -1.316 1.00 33.20 H new ATOM 0 HB3 ARG A 126 11.641 -9.492 -1.711 1.00 33.20 H new ATOM 0 HG2 ARG A 126 11.976 -10.448 0.333 1.00 73.33 H new ATOM 0 HG3 ARG A 126 11.158 -9.162 1.197 1.00 73.33 H new ATOM 0 HD2 ARG A 126 10.002 -11.336 1.454 1.00 13.21 H new ATOM 0 HD3 ARG A 126 8.971 -10.130 0.710 1.00 13.21 H new ATOM 0 HE ARG A 126 10.310 -11.732 -1.302 1.00 42.13 H new ATOM 0 HH11 ARG A 126 7.510 -11.713 0.937 1.00 70.12 H new ATOM 0 HH12 ARG A 126 6.641 -12.935 0.002 1.00 70.12 H new ATOM 0 HH21 ARG A 126 9.163 -13.326 -2.429 1.00 4.03 H new ATOM 0 HH22 ARG A 126 7.564 -13.834 -1.875 1.00 4.03 H new ATOM 2131 N ILE A 127 13.208 -7.105 0.936 1.00 50.12 N ATOM 2132 CA ILE A 127 14.482 -6.991 1.650 1.00 3.32 C ATOM 2133 C ILE A 127 14.428 -8.115 2.666 1.00 21.41 C ATOM 2134 O ILE A 127 15.445 -8.638 3.117 1.00 22.53 O ATOM 2135 CB ILE A 127 14.651 -5.584 2.306 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.467 -5.134 3.204 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.954 -4.521 1.231 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.743 -3.872 4.037 1.00 0.24 C ATOM 0 H ILE A 127 12.414 -6.860 1.528 1.00 50.12 H new ATOM 0 HA ILE A 127 15.348 -7.080 0.995 1.00 3.32 H new ATOM 0 HB ILE A 127 15.499 -5.682 2.984 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.597 -4.954 2.573 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.209 -5.950 3.879 1.00 43.04 H new ATOM 0 HG21 ILE A 127 15.069 -3.546 1.705 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.875 -4.782 0.711 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.132 -4.482 0.516 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.863 -3.630 4.634 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.592 -4.050 4.697 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.970 -3.039 3.371 1.00 0.24 H new TER 2150 ILE A 127