USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 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 77 THR OG1 : rot 139:sc= 0.728 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= 0.1 F(o=0.29,f=0.83) USER MOD Set 2.1: A 30 SER OG : rot -38:sc= 0.742 USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= -1.81! USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0.01 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -162:sc= 0.0102 (180deg=-0.0177) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0326 (180deg=-0.0265) USER MOD Single : A 3 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.56) USER MOD Single : A 4 HIS : no HD1:sc= 0.178 K(o=0.18,f=-0.82) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.768 K(o=0.77,f=-2.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.041) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 16 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.039) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 1.57 (180deg=0.98) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.44 F(o=-1.2,f=-0.44) USER MOD Single : A 38 THR OG1 : rot -147:sc= 0.0822 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= -0.0034 (180deg=-0.0547) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -175:sc= -0.0197 (180deg=-0.0651) USER MOD Single : A 54 ASN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 63 SER OG : rot 72:sc= 0.216 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.229 F(o=-2.6!,f=-0.23) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 100:sc= 0.61 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0856) USER MOD Single : A 81 LYS NZ :NH3+ -106:sc= -0.737 (180deg=-2.99!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -120:sc= -0.0225 USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -0.439 (180deg=-1.32!) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.185 F(o=-3.8!,f=0.18) USER MOD Single : A 92 SER OG : rot 179:sc= -0.207 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 99 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.41) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 153:sc= -0.0132 (180deg=-0.344) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0559 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.267 -10.488 18.285 1.00 44.14 N ATOM 2 CA MET A 1 0.180 -10.805 18.444 1.00 40.54 C ATOM 3 C MET A 1 0.401 -11.873 19.539 1.00 23.20 C ATOM 4 O MET A 1 -0.395 -11.983 20.482 1.00 71.52 O ATOM 5 CB MET A 1 0.988 -9.517 18.768 1.00 31.31 C ATOM 6 CG MET A 1 0.573 -8.807 20.064 1.00 43.02 C ATOM 7 SD MET A 1 1.528 -7.302 20.367 1.00 22.52 S ATOM 8 CE MET A 1 0.790 -6.702 21.890 1.00 72.43 C ATOM 0 H1 MET A 1 -1.398 -9.456 18.277 1.00 44.14 H new ATOM 0 H2 MET A 1 -1.614 -10.888 17.390 1.00 44.14 H new ATOM 0 H3 MET A 1 -1.801 -10.899 19.077 1.00 44.14 H new ATOM 0 HA MET A 1 0.540 -11.213 17.500 1.00 40.54 H new ATOM 0 HB2 MET A 1 2.045 -9.775 18.834 1.00 31.31 H new ATOM 0 HB3 MET A 1 0.881 -8.819 17.938 1.00 31.31 H new ATOM 0 HG2 MET A 1 -0.487 -8.557 20.014 1.00 43.02 H new ATOM 0 HG3 MET A 1 0.700 -9.489 20.905 1.00 43.02 H new ATOM 0 HE1 MET A 1 1.282 -5.778 22.194 1.00 72.43 H new ATOM 0 HE2 MET A 1 -0.271 -6.512 21.730 1.00 72.43 H new ATOM 0 HE3 MET A 1 0.910 -7.451 22.672 1.00 72.43 H new ATOM 20 N GLY A 2 1.490 -12.653 19.396 1.00 23.34 N ATOM 21 CA GLY A 2 1.889 -13.647 20.402 1.00 60.43 C ATOM 22 C GLY A 2 1.059 -14.935 20.398 1.00 1.32 C ATOM 23 O GLY A 2 0.236 -15.165 19.500 1.00 72.53 O ATOM 0 H GLY A 2 2.110 -12.610 18.587 1.00 23.34 H new ATOM 0 HA2 GLY A 2 2.936 -13.906 20.241 1.00 60.43 H new ATOM 0 HA3 GLY A 2 1.821 -13.191 21.390 1.00 60.43 H new ATOM 27 N HIS A 3 1.284 -15.782 21.421 1.00 62.24 N ATOM 28 CA HIS A 3 0.562 -17.067 21.577 1.00 5.23 C ATOM 29 C HIS A 3 -0.863 -16.853 22.160 1.00 40.22 C ATOM 30 O HIS A 3 -1.031 -16.237 23.217 1.00 22.15 O ATOM 31 CB HIS A 3 1.384 -18.065 22.448 1.00 62.34 C ATOM 32 CG HIS A 3 1.775 -17.562 23.823 1.00 43.23 C ATOM 33 ND1 HIS A 3 0.911 -17.553 24.900 1.00 23.51 N ATOM 34 CD2 HIS A 3 2.941 -17.042 24.287 1.00 34.50 C ATOM 35 CE1 HIS A 3 1.521 -17.054 25.952 1.00 22.52 C ATOM 36 NE2 HIS A 3 2.751 -16.735 25.613 1.00 13.34 N ATOM 0 H HIS A 3 1.965 -15.600 22.159 1.00 62.24 H new ATOM 0 HA HIS A 3 0.445 -17.503 20.585 1.00 5.23 H new ATOM 0 HB2 HIS A 3 0.804 -18.980 22.566 1.00 62.34 H new ATOM 0 HB3 HIS A 3 2.291 -18.331 21.906 1.00 62.34 H new ATOM 0 HD2 HIS A 3 3.848 -16.897 23.720 1.00 34.50 H new ATOM 0 HE1 HIS A 3 1.085 -16.927 26.932 1.00 22.52 H new ATOM 0 HE2 HIS A 3 3.450 -16.326 26.233 1.00 13.34 H new ATOM 45 N HIS A 4 -1.886 -17.327 21.430 1.00 0.02 N ATOM 46 CA HIS A 4 -3.299 -17.351 21.895 1.00 71.13 C ATOM 47 C HIS A 4 -3.849 -18.788 21.765 1.00 3.04 C ATOM 48 O HIS A 4 -3.769 -19.378 20.678 1.00 64.33 O ATOM 49 CB HIS A 4 -4.178 -16.360 21.079 1.00 23.04 C ATOM 50 CG HIS A 4 -3.862 -14.903 21.318 1.00 14.04 C ATOM 51 ND1 HIS A 4 -4.641 -14.076 22.103 1.00 0.20 N ATOM 52 CD2 HIS A 4 -2.853 -14.124 20.860 1.00 13.31 C ATOM 53 CE1 HIS A 4 -4.123 -12.868 22.122 1.00 63.23 C ATOM 54 NE2 HIS A 4 -3.040 -12.868 21.378 1.00 2.50 N ATOM 0 H HIS A 4 -1.764 -17.709 20.492 1.00 0.02 H new ATOM 0 HA HIS A 4 -3.331 -17.037 22.938 1.00 71.13 H new ATOM 0 HB2 HIS A 4 -4.057 -16.576 20.017 1.00 23.04 H new ATOM 0 HB3 HIS A 4 -5.225 -16.537 21.323 1.00 23.04 H new ATOM 0 HD2 HIS A 4 -2.050 -14.434 20.208 1.00 13.31 H new ATOM 0 HE1 HIS A 4 -4.520 -12.019 22.658 1.00 63.23 H new ATOM 0 HE2 HIS A 4 -2.436 -12.063 21.212 1.00 2.50 H new ATOM 63 N HIS A 5 -4.411 -19.331 22.880 1.00 71.14 N ATOM 64 CA HIS A 5 -4.835 -20.757 22.991 1.00 44.44 C ATOM 65 C HIS A 5 -3.627 -21.727 22.843 1.00 20.25 C ATOM 66 O HIS A 5 -2.463 -21.305 22.910 1.00 63.42 O ATOM 67 CB HIS A 5 -5.967 -21.097 21.971 1.00 44.54 C ATOM 68 CG HIS A 5 -7.265 -20.363 22.211 1.00 41.44 C ATOM 69 ND1 HIS A 5 -8.163 -20.739 23.184 1.00 53.14 N ATOM 70 CD2 HIS A 5 -7.816 -19.279 21.603 1.00 14.34 C ATOM 71 CE1 HIS A 5 -9.202 -19.932 23.169 1.00 41.45 C ATOM 72 NE2 HIS A 5 -9.020 -19.036 22.222 1.00 23.42 N ATOM 0 H HIS A 5 -4.583 -18.792 23.729 1.00 71.14 H new ATOM 0 HA HIS A 5 -5.243 -20.897 23.992 1.00 44.44 H new ATOM 0 HB2 HIS A 5 -5.614 -20.867 20.966 1.00 44.54 H new ATOM 0 HB3 HIS A 5 -6.159 -22.169 22.004 1.00 44.54 H new ATOM 0 HD2 HIS A 5 -7.389 -18.715 20.787 1.00 14.34 H new ATOM 0 HE1 HIS A 5 -10.059 -19.994 23.823 1.00 41.45 H new ATOM 0 HE2 HIS A 5 -9.667 -18.284 21.986 1.00 23.42 H new ATOM 81 N HIS A 6 -3.901 -23.040 22.677 1.00 14.24 N ATOM 82 CA HIS A 6 -2.840 -24.035 22.371 1.00 65.41 C ATOM 83 C HIS A 6 -2.208 -23.785 20.972 1.00 14.53 C ATOM 84 O HIS A 6 -2.766 -23.057 20.139 1.00 2.12 O ATOM 85 CB HIS A 6 -3.398 -25.480 22.461 1.00 72.03 C ATOM 86 CG HIS A 6 -3.793 -25.894 23.855 1.00 33.14 C ATOM 87 ND1 HIS A 6 -5.090 -25.854 24.318 1.00 35.12 N ATOM 88 CD2 HIS A 6 -3.052 -26.370 24.887 1.00 42.10 C ATOM 89 CE1 HIS A 6 -5.131 -26.280 25.561 1.00 61.20 C ATOM 90 NE2 HIS A 6 -3.911 -26.601 25.931 1.00 73.44 N ATOM 0 H HIS A 6 -4.838 -23.436 22.748 1.00 14.24 H new ATOM 0 HA HIS A 6 -2.056 -23.916 23.118 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -4.266 -25.566 21.807 1.00 72.03 H new ATOM 0 HB3 HIS A 6 -2.646 -26.174 22.085 1.00 72.03 H new ATOM 0 HD2 HIS A 6 -1.985 -26.536 24.887 1.00 42.10 H new ATOM 0 HE1 HIS A 6 -6.017 -26.354 26.174 1.00 61.20 H new ATOM 0 HE2 HIS A 6 -3.646 -26.963 26.847 1.00 73.44 H new ATOM 99 N HIS A 7 -1.032 -24.388 20.729 1.00 63.21 N ATOM 100 CA HIS A 7 -0.335 -24.281 19.434 1.00 35.00 C ATOM 101 C HIS A 7 -1.028 -25.161 18.365 1.00 40.51 C ATOM 102 O HIS A 7 -0.974 -26.396 18.429 1.00 60.44 O ATOM 103 CB HIS A 7 1.155 -24.660 19.591 1.00 23.21 C ATOM 104 CG HIS A 7 1.931 -23.687 20.438 1.00 24.34 C ATOM 105 ND1 HIS A 7 2.296 -23.935 21.743 1.00 51.24 N ATOM 106 CD2 HIS A 7 2.410 -22.453 20.148 1.00 24.54 C ATOM 107 CE1 HIS A 7 2.962 -22.905 22.216 1.00 72.45 C ATOM 108 NE2 HIS A 7 3.051 -21.993 21.270 1.00 22.23 N ATOM 0 H HIS A 7 -0.541 -24.959 21.417 1.00 63.21 H new ATOM 0 HA HIS A 7 -0.386 -23.246 19.096 1.00 35.00 H new ATOM 0 HB2 HIS A 7 1.225 -25.653 20.034 1.00 23.21 H new ATOM 0 HB3 HIS A 7 1.614 -24.718 18.604 1.00 23.21 H new ATOM 0 HD2 HIS A 7 2.306 -21.930 19.209 1.00 24.54 H new ATOM 0 HE1 HIS A 7 3.368 -22.821 23.213 1.00 72.45 H new ATOM 0 HE2 HIS A 7 3.520 -21.092 21.357 1.00 22.23 H new ATOM 117 N HIS A 8 -1.693 -24.500 17.402 1.00 2.40 N ATOM 118 CA HIS A 8 -2.381 -25.173 16.271 1.00 20.24 C ATOM 119 C HIS A 8 -2.323 -24.294 14.999 1.00 23.23 C ATOM 120 O HIS A 8 -2.259 -24.822 13.888 1.00 45.23 O ATOM 121 CB HIS A 8 -3.851 -25.536 16.638 1.00 64.32 C ATOM 122 CG HIS A 8 -4.760 -24.359 16.905 1.00 64.43 C ATOM 123 ND1 HIS A 8 -4.521 -23.445 17.903 1.00 11.44 N ATOM 124 CD2 HIS A 8 -5.905 -23.948 16.299 1.00 43.11 C ATOM 125 CE1 HIS A 8 -5.465 -22.531 17.908 1.00 44.21 C ATOM 126 NE2 HIS A 8 -6.320 -22.809 16.947 1.00 70.21 N ATOM 0 H HIS A 8 -1.773 -23.483 17.380 1.00 2.40 H new ATOM 0 HA HIS A 8 -1.857 -26.106 16.064 1.00 20.24 H new ATOM 0 HB2 HIS A 8 -4.276 -26.125 15.825 1.00 64.32 H new ATOM 0 HB3 HIS A 8 -3.840 -26.174 17.522 1.00 64.32 H new ATOM 0 HD1 HIS A 8 -3.729 -23.472 18.545 1.00 11.44 H new ATOM 0 HD2 HIS A 8 -6.397 -24.427 15.465 1.00 43.11 H new ATOM 0 HE1 HIS A 8 -5.529 -21.693 18.586 1.00 44.21 H new ATOM 135 N SER A 9 -2.354 -22.945 15.184 1.00 22.14 N ATOM 136 CA SER A 9 -2.281 -21.944 14.077 1.00 43.12 C ATOM 137 C SER A 9 -3.396 -22.175 13.015 1.00 51.15 C ATOM 138 O SER A 9 -4.451 -22.744 13.341 1.00 4.33 O ATOM 139 CB SER A 9 -0.855 -21.950 13.443 1.00 10.11 C ATOM 140 OG SER A 9 0.143 -21.571 14.387 1.00 64.41 O ATOM 0 H SER A 9 -2.431 -22.518 16.107 1.00 22.14 H new ATOM 0 HA SER A 9 -2.460 -20.954 14.496 1.00 43.12 H new ATOM 0 HB2 SER A 9 -0.632 -22.945 13.058 1.00 10.11 H new ATOM 0 HB3 SER A 9 -0.831 -21.267 12.594 1.00 10.11 H new ATOM 0 HG SER A 9 1.023 -21.587 13.957 1.00 64.41 H new ATOM 146 N HIS A 10 -3.188 -21.666 11.780 1.00 51.00 N ATOM 147 CA HIS A 10 -4.032 -22.010 10.612 1.00 75.24 C ATOM 148 C HIS A 10 -3.292 -21.736 9.274 1.00 15.03 C ATOM 149 O HIS A 10 -3.294 -20.621 8.753 1.00 74.33 O ATOM 150 CB HIS A 10 -5.428 -21.300 10.662 1.00 64.11 C ATOM 151 CG HIS A 10 -5.390 -19.795 10.805 1.00 14.10 C ATOM 152 ND1 HIS A 10 -5.185 -19.160 12.010 1.00 24.33 N ATOM 153 CD2 HIS A 10 -5.551 -18.806 9.891 1.00 13.22 C ATOM 154 CE1 HIS A 10 -5.220 -17.857 11.831 1.00 51.43 C ATOM 155 NE2 HIS A 10 -5.437 -17.612 10.558 1.00 50.11 N ATOM 0 H HIS A 10 -2.437 -21.010 11.565 1.00 51.00 H new ATOM 0 HA HIS A 10 -4.225 -23.082 10.663 1.00 75.24 H new ATOM 0 HB2 HIS A 10 -5.974 -21.547 9.752 1.00 64.11 H new ATOM 0 HB3 HIS A 10 -5.996 -21.712 11.496 1.00 64.11 H new ATOM 0 HD2 HIS A 10 -5.735 -18.934 8.835 1.00 13.22 H new ATOM 0 HE1 HIS A 10 -5.092 -17.112 12.602 1.00 51.43 H new ATOM 0 HE2 HIS A 10 -5.509 -16.687 10.135 1.00 50.11 H new ATOM 164 N MET A 11 -2.597 -22.769 8.752 1.00 61.43 N ATOM 165 CA MET A 11 -2.168 -22.800 7.331 1.00 24.23 C ATOM 166 C MET A 11 -3.408 -23.002 6.426 1.00 3.40 C ATOM 167 O MET A 11 -3.436 -22.608 5.256 1.00 43.44 O ATOM 168 CB MET A 11 -1.117 -23.923 7.099 1.00 62.35 C ATOM 169 CG MET A 11 -0.569 -24.001 5.664 1.00 55.25 C ATOM 170 SD MET A 11 0.670 -25.296 5.448 1.00 30.13 S ATOM 171 CE MET A 11 1.170 -25.030 3.741 1.00 21.45 C ATOM 0 H MET A 11 -2.320 -23.591 9.288 1.00 61.43 H new ATOM 0 HA MET A 11 -1.696 -21.851 7.076 1.00 24.23 H new ATOM 0 HB2 MET A 11 -0.283 -23.769 7.784 1.00 62.35 H new ATOM 0 HB3 MET A 11 -1.567 -24.882 7.355 1.00 62.35 H new ATOM 0 HG2 MET A 11 -1.395 -24.178 4.975 1.00 55.25 H new ATOM 0 HG3 MET A 11 -0.131 -23.039 5.396 1.00 55.25 H new ATOM 0 HE1 MET A 11 1.933 -25.759 3.468 1.00 21.45 H new ATOM 0 HE2 MET A 11 0.306 -25.146 3.087 1.00 21.45 H new ATOM 0 HE3 MET A 11 1.575 -24.024 3.633 1.00 21.45 H new ATOM 181 N ILE A 12 -4.416 -23.622 7.040 1.00 1.12 N ATOM 182 CA ILE A 12 -5.768 -23.823 6.490 1.00 43.14 C ATOM 183 C ILE A 12 -6.436 -22.456 6.158 1.00 30.41 C ATOM 184 O ILE A 12 -6.367 -21.517 6.970 1.00 41.45 O ATOM 185 CB ILE A 12 -6.646 -24.611 7.544 1.00 51.53 C ATOM 186 CG1 ILE A 12 -5.943 -25.947 7.966 1.00 25.44 C ATOM 187 CG2 ILE A 12 -8.080 -24.878 7.016 1.00 21.34 C ATOM 188 CD1 ILE A 12 -6.618 -26.690 9.114 1.00 73.44 C ATOM 0 H ILE A 12 -4.314 -24.017 7.975 1.00 1.12 H new ATOM 0 HA ILE A 12 -5.694 -24.399 5.568 1.00 43.14 H new ATOM 0 HB ILE A 12 -6.741 -23.980 8.428 1.00 51.53 H new ATOM 0 HG12 ILE A 12 -5.900 -26.608 7.100 1.00 25.44 H new ATOM 0 HG13 ILE A 12 -4.914 -25.726 8.250 1.00 25.44 H new ATOM 0 HG21 ILE A 12 -8.650 -25.421 7.770 1.00 21.34 H new ATOM 0 HG22 ILE A 12 -8.572 -23.929 6.803 1.00 21.34 H new ATOM 0 HG23 ILE A 12 -8.027 -25.472 6.104 1.00 21.34 H new ATOM 0 HD11 ILE A 12 -6.061 -27.601 9.335 1.00 73.44 H new ATOM 0 HD12 ILE A 12 -6.638 -26.053 9.998 1.00 73.44 H new ATOM 0 HD13 ILE A 12 -7.638 -26.948 8.830 1.00 73.44 H new ATOM 200 N LYS A 13 -7.087 -22.393 4.970 1.00 31.24 N ATOM 201 CA LYS A 13 -7.762 -21.201 4.408 1.00 11.43 C ATOM 202 C LYS A 13 -6.781 -20.044 4.078 1.00 71.25 C ATOM 203 O LYS A 13 -6.176 -19.450 4.977 1.00 23.24 O ATOM 204 CB LYS A 13 -8.892 -20.683 5.331 1.00 3.22 C ATOM 205 CG LYS A 13 -9.963 -21.729 5.718 1.00 33.22 C ATOM 206 CD LYS A 13 -11.008 -21.145 6.695 1.00 33.31 C ATOM 207 CE LYS A 13 -12.065 -22.167 7.138 1.00 53.31 C ATOM 208 NZ LYS A 13 -13.092 -21.527 7.997 1.00 20.54 N ATOM 0 H LYS A 13 -7.158 -23.204 4.355 1.00 31.24 H new ATOM 0 HA LYS A 13 -8.202 -21.539 3.470 1.00 11.43 H new ATOM 0 HB2 LYS A 13 -8.442 -20.293 6.244 1.00 3.22 H new ATOM 0 HB3 LYS A 13 -9.387 -19.847 4.837 1.00 3.22 H new ATOM 0 HG2 LYS A 13 -10.465 -22.085 4.818 1.00 33.22 H new ATOM 0 HG3 LYS A 13 -9.480 -22.592 6.176 1.00 33.22 H new ATOM 0 HD2 LYS A 13 -10.495 -20.758 7.576 1.00 33.31 H new ATOM 0 HD3 LYS A 13 -11.507 -20.300 6.220 1.00 33.31 H new ATOM 0 HE2 LYS A 13 -12.541 -22.607 6.262 1.00 53.31 H new ATOM 0 HE3 LYS A 13 -11.585 -22.980 7.682 1.00 53.31 H new ATOM 0 HZ1 LYS A 13 -13.796 -22.237 8.284 1.00 20.54 H new ATOM 0 HZ2 LYS A 13 -12.637 -21.128 8.843 1.00 20.54 H new ATOM 0 HZ3 LYS A 13 -13.564 -20.767 7.467 1.00 20.54 H new ATOM 222 N ARG A 14 -6.634 -19.738 2.777 1.00 21.51 N ATOM 223 CA ARG A 14 -5.896 -18.546 2.292 1.00 10.31 C ATOM 224 C ARG A 14 -6.876 -17.577 1.585 1.00 75.13 C ATOM 225 O ARG A 14 -6.966 -16.393 1.944 1.00 54.44 O ATOM 226 CB ARG A 14 -4.733 -18.960 1.342 1.00 61.10 C ATOM 227 CG ARG A 14 -3.704 -19.961 1.964 1.00 71.14 C ATOM 228 CD ARG A 14 -2.233 -19.632 1.602 1.00 52.30 C ATOM 229 NE ARG A 14 -1.782 -18.386 2.261 1.00 62.42 N ATOM 230 CZ ARG A 14 -1.414 -17.270 1.666 1.00 3.14 C ATOM 231 NH1 ARG A 14 -1.425 -17.140 0.372 1.00 31.23 N ATOM 232 NH2 ARG A 14 -1.057 -16.265 2.386 1.00 72.05 N ATOM 0 H ARG A 14 -7.023 -20.308 2.026 1.00 21.51 H new ATOM 0 HA ARG A 14 -5.453 -18.034 3.146 1.00 10.31 H new ATOM 0 HB2 ARG A 14 -5.158 -19.409 0.444 1.00 61.10 H new ATOM 0 HB3 ARG A 14 -4.201 -18.062 1.028 1.00 61.10 H new ATOM 0 HG2 ARG A 14 -3.814 -19.957 3.048 1.00 71.14 H new ATOM 0 HG3 ARG A 14 -3.938 -20.970 1.624 1.00 71.14 H new ATOM 0 HD2 ARG A 14 -1.589 -20.458 1.903 1.00 52.30 H new ATOM 0 HD3 ARG A 14 -2.137 -19.530 0.521 1.00 52.30 H new ATOM 0 HE ARG A 14 -1.753 -18.392 3.281 1.00 62.42 H new ATOM 0 HH11 ARG A 14 -1.725 -17.917 -0.216 1.00 31.23 H new ATOM 0 HH12 ARG A 14 -1.133 -16.261 -0.055 1.00 31.23 H new ATOM 0 HH21 ARG A 14 -1.062 -16.339 3.403 1.00 72.05 H new ATOM 0 HH22 ARG A 14 -0.769 -15.394 1.939 1.00 72.05 H new ATOM 246 N THR A 15 -7.613 -18.095 0.573 1.00 5.54 N ATOM 247 CA THR A 15 -8.687 -17.345 -0.132 1.00 40.14 C ATOM 248 C THR A 15 -9.947 -18.238 -0.325 1.00 73.45 C ATOM 249 O THR A 15 -11.007 -17.960 0.246 1.00 33.22 O ATOM 250 CB THR A 15 -8.227 -16.796 -1.542 1.00 64.22 C ATOM 251 OG1 THR A 15 -7.796 -17.883 -2.372 1.00 53.31 O ATOM 252 CG2 THR A 15 -7.102 -15.746 -1.444 1.00 0.44 C ATOM 0 H THR A 15 -7.482 -19.043 0.221 1.00 5.54 H new ATOM 0 HA THR A 15 -8.925 -16.490 0.501 1.00 40.14 H new ATOM 0 HB THR A 15 -9.092 -16.300 -1.982 1.00 64.22 H new ATOM 0 HG1 THR A 15 -7.514 -17.537 -3.244 1.00 53.31 H new ATOM 0 HG21 THR A 15 -6.831 -15.409 -2.444 1.00 0.44 H new ATOM 0 HG22 THR A 15 -7.448 -14.896 -0.856 1.00 0.44 H new ATOM 0 HG23 THR A 15 -6.231 -16.190 -0.963 1.00 0.44 H new ATOM 260 N ASN A 16 -9.803 -19.317 -1.143 1.00 15.10 N ATOM 261 CA ASN A 16 -10.920 -20.224 -1.572 1.00 35.20 C ATOM 262 C ASN A 16 -12.014 -19.447 -2.380 1.00 12.42 C ATOM 263 O ASN A 16 -13.141 -19.909 -2.557 1.00 4.35 O ATOM 264 CB ASN A 16 -11.500 -20.989 -0.332 1.00 22.25 C ATOM 265 CG ASN A 16 -12.402 -22.179 -0.688 1.00 42.33 C ATOM 266 OD1 ASN A 16 -11.932 -23.285 -0.918 1.00 52.34 O ATOM 267 ND2 ASN A 16 -13.702 -21.965 -0.716 1.00 34.22 N ATOM 0 H ASN A 16 -8.900 -19.590 -1.531 1.00 15.10 H new ATOM 0 HA ASN A 16 -10.523 -20.973 -2.258 1.00 35.20 H new ATOM 0 HB2 ASN A 16 -10.672 -21.346 0.279 1.00 22.25 H new ATOM 0 HB3 ASN A 16 -12.068 -20.288 0.279 1.00 22.25 H new ATOM 0 HD21 ASN A 16 -14.340 -22.730 -0.933 1.00 34.22 H new ATOM 0 HD22 ASN A 16 -14.070 -21.034 -0.521 1.00 34.22 H new ATOM 274 N GLU A 17 -11.625 -18.288 -2.933 1.00 33.51 N ATOM 275 CA GLU A 17 -12.542 -17.324 -3.590 1.00 51.00 C ATOM 276 C GLU A 17 -11.861 -16.691 -4.845 1.00 23.22 C ATOM 277 O GLU A 17 -10.631 -16.790 -4.989 1.00 12.25 O ATOM 278 CB GLU A 17 -12.909 -16.228 -2.546 1.00 72.12 C ATOM 279 CG GLU A 17 -11.732 -15.306 -2.127 1.00 45.04 C ATOM 280 CD GLU A 17 -11.985 -14.511 -0.838 1.00 31.11 C ATOM 281 OE1 GLU A 17 -13.068 -13.906 -0.701 1.00 12.41 O ATOM 282 OE2 GLU A 17 -11.105 -14.495 0.052 1.00 55.35 O ATOM 0 H GLU A 17 -10.652 -17.983 -2.940 1.00 33.51 H new ATOM 0 HA GLU A 17 -13.445 -17.831 -3.931 1.00 51.00 H new ATOM 0 HB2 GLU A 17 -13.708 -15.610 -2.955 1.00 72.12 H new ATOM 0 HB3 GLU A 17 -13.306 -16.714 -1.655 1.00 72.12 H new ATOM 0 HG2 GLU A 17 -10.837 -15.914 -1.996 1.00 45.04 H new ATOM 0 HG3 GLU A 17 -11.526 -14.607 -2.938 1.00 45.04 H new ATOM 289 N PRO A 18 -12.635 -16.041 -5.788 1.00 22.12 N ATOM 290 CA PRO A 18 -12.040 -15.286 -6.930 1.00 2.30 C ATOM 291 C PRO A 18 -11.058 -14.156 -6.492 1.00 41.22 C ATOM 292 O PRO A 18 -11.221 -13.536 -5.430 1.00 73.43 O ATOM 293 CB PRO A 18 -13.280 -14.697 -7.678 1.00 74.35 C ATOM 294 CG PRO A 18 -14.418 -14.809 -6.707 1.00 13.24 C ATOM 295 CD PRO A 18 -14.124 -16.034 -5.866 1.00 51.42 C ATOM 0 HA PRO A 18 -11.425 -15.937 -7.551 1.00 2.30 H new ATOM 0 HB2 PRO A 18 -13.109 -13.660 -7.966 1.00 74.35 H new ATOM 0 HB3 PRO A 18 -13.488 -15.252 -8.593 1.00 74.35 H new ATOM 0 HG2 PRO A 18 -14.491 -13.916 -6.086 1.00 13.24 H new ATOM 0 HG3 PRO A 18 -15.369 -14.912 -7.229 1.00 13.24 H new ATOM 0 HD2 PRO A 18 -14.579 -15.963 -4.878 1.00 51.42 H new ATOM 0 HD3 PRO A 18 -14.508 -16.943 -6.330 1.00 51.42 H new ATOM 303 N LEU A 19 -10.060 -13.902 -7.358 1.00 31.55 N ATOM 304 CA LEU A 19 -9.038 -12.832 -7.184 1.00 3.33 C ATOM 305 C LEU A 19 -9.680 -11.428 -7.085 1.00 4.54 C ATOM 306 O LEU A 19 -9.124 -10.539 -6.452 1.00 12.30 O ATOM 307 CB LEU A 19 -7.988 -12.909 -8.361 1.00 14.12 C ATOM 308 CG LEU A 19 -6.542 -13.403 -7.989 1.00 62.14 C ATOM 309 CD1 LEU A 19 -5.638 -12.242 -7.530 1.00 75.33 C ATOM 310 CD2 LEU A 19 -6.570 -14.514 -6.912 1.00 54.10 C ATOM 0 H LEU A 19 -9.931 -14.439 -8.216 1.00 31.55 H new ATOM 0 HA LEU A 19 -8.522 -12.999 -6.239 1.00 3.33 H new ATOM 0 HB2 LEU A 19 -8.386 -13.572 -9.129 1.00 14.12 H new ATOM 0 HB3 LEU A 19 -7.904 -11.918 -8.807 1.00 14.12 H new ATOM 0 HG LEU A 19 -6.119 -13.824 -8.901 1.00 62.14 H new ATOM 0 HD11 LEU A 19 -4.649 -12.627 -7.283 1.00 75.33 H new ATOM 0 HD12 LEU A 19 -5.552 -11.509 -8.332 1.00 75.33 H new ATOM 0 HD13 LEU A 19 -6.073 -11.768 -6.650 1.00 75.33 H new ATOM 0 HD21 LEU A 19 -5.551 -14.826 -6.685 1.00 54.10 H new ATOM 0 HD22 LEU A 19 -7.043 -14.132 -6.007 1.00 54.10 H new ATOM 0 HD23 LEU A 19 -7.136 -15.368 -7.284 1.00 54.10 H new ATOM 322 N ASP A 20 -10.847 -11.266 -7.734 1.00 74.11 N ATOM 323 CA ASP A 20 -11.702 -10.061 -7.613 1.00 71.54 C ATOM 324 C ASP A 20 -12.014 -9.711 -6.131 1.00 31.02 C ATOM 325 O ASP A 20 -11.846 -8.562 -5.716 1.00 71.42 O ATOM 326 CB ASP A 20 -13.021 -10.281 -8.393 1.00 75.44 C ATOM 327 CG ASP A 20 -13.975 -9.072 -8.329 1.00 34.43 C ATOM 328 OD1 ASP A 20 -13.672 -8.038 -8.956 1.00 24.51 O ATOM 329 OD2 ASP A 20 -15.015 -9.144 -7.638 1.00 41.01 O ATOM 0 H ASP A 20 -11.230 -11.971 -8.364 1.00 74.11 H new ATOM 0 HA ASP A 20 -11.153 -9.220 -8.037 1.00 71.54 H new ATOM 0 HB2 ASP A 20 -12.787 -10.496 -9.436 1.00 75.44 H new ATOM 0 HB3 ASP A 20 -13.530 -11.158 -7.993 1.00 75.44 H new ATOM 334 N LYS A 21 -12.457 -10.723 -5.355 1.00 22.40 N ATOM 335 CA LYS A 21 -12.814 -10.548 -3.921 1.00 61.54 C ATOM 336 C LYS A 21 -11.589 -10.169 -3.056 1.00 24.12 C ATOM 337 O LYS A 21 -11.674 -9.264 -2.213 1.00 11.32 O ATOM 338 CB LYS A 21 -13.469 -11.823 -3.340 1.00 10.33 C ATOM 339 CG LYS A 21 -14.851 -12.174 -3.928 1.00 44.42 C ATOM 340 CD LYS A 21 -15.521 -13.352 -3.177 1.00 51.45 C ATOM 341 CE LYS A 21 -16.917 -13.694 -3.718 1.00 4.24 C ATOM 342 NZ LYS A 21 -17.556 -14.790 -2.950 1.00 15.32 N ATOM 0 H LYS A 21 -12.578 -11.677 -5.695 1.00 22.40 H new ATOM 0 HA LYS A 21 -13.530 -9.727 -3.887 1.00 61.54 H new ATOM 0 HB2 LYS A 21 -12.797 -12.665 -3.504 1.00 10.33 H new ATOM 0 HB3 LYS A 21 -13.570 -11.702 -2.262 1.00 10.33 H new ATOM 0 HG2 LYS A 21 -15.498 -11.298 -3.879 1.00 44.42 H new ATOM 0 HG3 LYS A 21 -14.742 -12.431 -4.982 1.00 44.42 H new ATOM 0 HD2 LYS A 21 -14.883 -14.233 -3.252 1.00 51.45 H new ATOM 0 HD3 LYS A 21 -15.599 -13.103 -2.119 1.00 51.45 H new ATOM 0 HE2 LYS A 21 -17.549 -12.807 -3.678 1.00 4.24 H new ATOM 0 HE3 LYS A 21 -16.839 -13.983 -4.766 1.00 4.24 H new ATOM 0 HZ1 LYS A 21 -18.496 -14.990 -3.347 1.00 15.32 H new ATOM 0 HZ2 LYS A 21 -16.966 -15.645 -3.009 1.00 15.32 H new ATOM 0 HZ3 LYS A 21 -17.654 -14.505 -1.955 1.00 15.32 H new ATOM 356 N LYS A 22 -10.455 -10.872 -3.279 1.00 75.42 N ATOM 357 CA LYS A 22 -9.192 -10.619 -2.539 1.00 1.02 C ATOM 358 C LYS A 22 -8.681 -9.178 -2.785 1.00 75.31 C ATOM 359 O LYS A 22 -8.389 -8.448 -1.836 1.00 34.31 O ATOM 360 CB LYS A 22 -8.096 -11.631 -2.961 1.00 2.32 C ATOM 361 CG LYS A 22 -6.780 -11.511 -2.148 1.00 55.42 C ATOM 362 CD LYS A 22 -5.631 -12.339 -2.754 1.00 74.23 C ATOM 363 CE LYS A 22 -4.374 -12.350 -1.869 1.00 72.34 C ATOM 364 NZ LYS A 22 -3.288 -13.182 -2.440 1.00 4.11 N ATOM 0 H LYS A 22 -10.387 -11.622 -3.967 1.00 75.42 H new ATOM 0 HA LYS A 22 -9.405 -10.742 -1.477 1.00 1.02 H new ATOM 0 HB2 LYS A 22 -8.488 -12.642 -2.851 1.00 2.32 H new ATOM 0 HB3 LYS A 22 -7.872 -11.489 -4.018 1.00 2.32 H new ATOM 0 HG2 LYS A 22 -6.482 -10.464 -2.099 1.00 55.42 H new ATOM 0 HG3 LYS A 22 -6.959 -11.839 -1.124 1.00 55.42 H new ATOM 0 HD2 LYS A 22 -5.970 -13.363 -2.909 1.00 74.23 H new ATOM 0 HD3 LYS A 22 -5.376 -11.936 -3.734 1.00 74.23 H new ATOM 0 HE2 LYS A 22 -4.016 -11.329 -1.739 1.00 72.34 H new ATOM 0 HE3 LYS A 22 -4.633 -12.725 -0.879 1.00 72.34 H new ATOM 0 HZ1 LYS A 22 -2.643 -13.480 -1.680 1.00 4.11 H new ATOM 0 HZ2 LYS A 22 -3.698 -14.022 -2.896 1.00 4.11 H new ATOM 0 HZ3 LYS A 22 -2.760 -12.628 -3.144 1.00 4.11 H new ATOM 378 N ARG A 23 -8.600 -8.791 -4.078 1.00 21.21 N ATOM 379 CA ARG A 23 -8.197 -7.428 -4.506 1.00 3.12 C ATOM 380 C ARG A 23 -9.109 -6.354 -3.890 1.00 40.14 C ATOM 381 O ARG A 23 -8.617 -5.401 -3.304 1.00 12.52 O ATOM 382 CB ARG A 23 -8.208 -7.312 -6.054 1.00 34.11 C ATOM 383 CG ARG A 23 -7.021 -8.021 -6.750 1.00 62.11 C ATOM 384 CD ARG A 23 -7.242 -8.186 -8.265 1.00 72.30 C ATOM 385 NE ARG A 23 -6.101 -8.840 -8.949 1.00 72.24 N ATOM 386 CZ ARG A 23 -6.154 -9.403 -10.142 1.00 70.20 C ATOM 387 NH1 ARG A 23 -7.249 -9.384 -10.843 1.00 31.12 N ATOM 388 NH2 ARG A 23 -5.093 -9.948 -10.644 1.00 54.00 N ATOM 0 H ARG A 23 -8.812 -9.414 -4.857 1.00 21.21 H new ATOM 0 HA ARG A 23 -7.182 -7.259 -4.147 1.00 3.12 H new ATOM 0 HB2 ARG A 23 -9.140 -7.732 -6.432 1.00 34.11 H new ATOM 0 HB3 ARG A 23 -8.199 -6.257 -6.329 1.00 34.11 H new ATOM 0 HG2 ARG A 23 -6.109 -7.449 -6.579 1.00 62.11 H new ATOM 0 HG3 ARG A 23 -6.872 -9.002 -6.298 1.00 62.11 H new ATOM 0 HD2 ARG A 23 -8.144 -8.774 -8.433 1.00 72.30 H new ATOM 0 HD3 ARG A 23 -7.412 -7.206 -8.711 1.00 72.30 H new ATOM 0 HE ARG A 23 -5.206 -8.856 -8.460 1.00 72.24 H new ATOM 0 HH11 ARG A 23 -8.084 -8.929 -10.473 1.00 31.12 H new ATOM 0 HH12 ARG A 23 -7.273 -9.824 -11.763 1.00 31.12 H new ATOM 0 HH21 ARG A 23 -4.219 -9.942 -10.118 1.00 54.00 H new ATOM 0 HH22 ARG A 23 -5.131 -10.384 -11.565 1.00 54.00 H new ATOM 402 N ALA A 24 -10.438 -6.562 -3.984 1.00 74.24 N ATOM 403 CA ALA A 24 -11.449 -5.626 -3.430 1.00 50.13 C ATOM 404 C ALA A 24 -11.263 -5.421 -1.905 1.00 12.22 C ATOM 405 O ALA A 24 -11.387 -4.304 -1.396 1.00 23.43 O ATOM 406 CB ALA A 24 -12.869 -6.137 -3.733 1.00 62.22 C ATOM 0 H ALA A 24 -10.844 -7.378 -4.443 1.00 74.24 H new ATOM 0 HA ALA A 24 -11.307 -4.659 -3.912 1.00 50.13 H new ATOM 0 HB1 ALA A 24 -13.601 -5.442 -3.322 1.00 62.22 H new ATOM 0 HB2 ALA A 24 -13.006 -6.212 -4.812 1.00 62.22 H new ATOM 0 HB3 ALA A 24 -13.007 -7.119 -3.280 1.00 62.22 H new ATOM 412 N ARG A 25 -10.935 -6.523 -1.202 1.00 42.44 N ATOM 413 CA ARG A 25 -10.662 -6.520 0.252 1.00 62.41 C ATOM 414 C ARG A 25 -9.361 -5.752 0.606 1.00 31.43 C ATOM 415 O ARG A 25 -9.315 -5.033 1.606 1.00 11.10 O ATOM 416 CB ARG A 25 -10.569 -7.978 0.774 1.00 4.23 C ATOM 417 CG ARG A 25 -10.374 -8.109 2.305 1.00 71.04 C ATOM 418 CD ARG A 25 -10.213 -9.571 2.754 1.00 33.40 C ATOM 419 NE ARG A 25 -11.381 -10.391 2.375 1.00 20.14 N ATOM 420 CZ ARG A 25 -11.343 -11.560 1.776 1.00 51.42 C ATOM 421 NH1 ARG A 25 -10.218 -12.110 1.427 1.00 71.22 N ATOM 422 NH2 ARG A 25 -12.443 -12.170 1.507 1.00 21.22 N ATOM 0 H ARG A 25 -10.851 -7.446 -1.628 1.00 42.44 H new ATOM 0 HA ARG A 25 -11.489 -6.002 0.737 1.00 62.41 H new ATOM 0 HB2 ARG A 25 -11.478 -8.509 0.491 1.00 4.23 H new ATOM 0 HB3 ARG A 25 -9.739 -8.476 0.272 1.00 4.23 H new ATOM 0 HG2 ARG A 25 -9.494 -7.541 2.606 1.00 71.04 H new ATOM 0 HG3 ARG A 25 -11.229 -7.667 2.816 1.00 71.04 H new ATOM 0 HD2 ARG A 25 -9.312 -9.992 2.307 1.00 33.40 H new ATOM 0 HD3 ARG A 25 -10.079 -9.607 3.835 1.00 33.40 H new ATOM 0 HE ARG A 25 -12.303 -10.015 2.599 1.00 20.14 H new ATOM 0 HH11 ARG A 25 -9.337 -11.633 1.617 1.00 71.22 H new ATOM 0 HH12 ARG A 25 -10.217 -13.018 0.963 1.00 71.22 H new ATOM 0 HH21 ARG A 25 -13.336 -11.746 1.758 1.00 21.22 H new ATOM 0 HH22 ARG A 25 -12.422 -13.078 1.042 1.00 21.22 H new ATOM 436 N LEU A 26 -8.300 -5.916 -0.207 1.00 74.01 N ATOM 437 CA LEU A 26 -6.998 -5.254 0.052 1.00 64.43 C ATOM 438 C LEU A 26 -7.065 -3.724 -0.244 1.00 25.32 C ATOM 439 O LEU A 26 -6.500 -2.917 0.505 1.00 74.30 O ATOM 440 CB LEU A 26 -5.851 -5.913 -0.757 1.00 64.34 C ATOM 441 CG LEU A 26 -5.613 -7.456 -0.585 1.00 22.23 C ATOM 442 CD1 LEU A 26 -4.300 -7.879 -1.268 1.00 10.23 C ATOM 443 CD2 LEU A 26 -5.626 -7.879 0.898 1.00 43.35 C ATOM 0 H LEU A 26 -8.314 -6.497 -1.045 1.00 74.01 H new ATOM 0 HA LEU A 26 -6.782 -5.385 1.112 1.00 64.43 H new ATOM 0 HB2 LEU A 26 -6.036 -5.720 -1.814 1.00 64.34 H new ATOM 0 HB3 LEU A 26 -4.924 -5.402 -0.497 1.00 64.34 H new ATOM 0 HG LEU A 26 -6.440 -7.973 -1.072 1.00 22.23 H new ATOM 0 HD11 LEU A 26 -4.152 -8.951 -1.139 1.00 10.23 H new ATOM 0 HD12 LEU A 26 -4.351 -7.646 -2.331 1.00 10.23 H new ATOM 0 HD13 LEU A 26 -3.466 -7.340 -0.818 1.00 10.23 H new ATOM 0 HD21 LEU A 26 -5.458 -8.953 0.971 1.00 43.35 H new ATOM 0 HD22 LEU A 26 -4.837 -7.351 1.434 1.00 43.35 H new ATOM 0 HD23 LEU A 26 -6.592 -7.632 1.338 1.00 43.35 H new ATOM 455 N ILE A 27 -7.756 -3.356 -1.348 1.00 12.21 N ATOM 456 CA ILE A 27 -8.091 -1.939 -1.689 1.00 43.50 C ATOM 457 C ILE A 27 -8.923 -1.282 -0.551 1.00 21.15 C ATOM 458 O ILE A 27 -8.728 -0.119 -0.208 1.00 60.42 O ATOM 459 CB ILE A 27 -8.899 -1.855 -3.058 1.00 40.44 C ATOM 460 CG1 ILE A 27 -8.071 -2.475 -4.235 1.00 4.13 C ATOM 461 CG2 ILE A 27 -9.318 -0.395 -3.394 1.00 11.04 C ATOM 462 CD1 ILE A 27 -8.805 -2.649 -5.559 1.00 14.13 C ATOM 0 H ILE A 27 -8.101 -4.028 -2.033 1.00 12.21 H new ATOM 0 HA ILE A 27 -7.152 -1.397 -1.803 1.00 43.50 H new ATOM 0 HB ILE A 27 -9.811 -2.438 -2.931 1.00 40.44 H new ATOM 0 HG12 ILE A 27 -7.198 -1.845 -4.408 1.00 4.13 H new ATOM 0 HG13 ILE A 27 -7.703 -3.450 -3.917 1.00 4.13 H new ATOM 0 HG21 ILE A 27 -9.867 -0.382 -4.336 1.00 11.04 H new ATOM 0 HG22 ILE A 27 -9.953 -0.006 -2.598 1.00 11.04 H new ATOM 0 HG23 ILE A 27 -8.428 0.227 -3.484 1.00 11.04 H new ATOM 0 HD11 ILE A 27 -8.130 -3.086 -6.295 1.00 14.13 H new ATOM 0 HD12 ILE A 27 -9.662 -3.308 -5.416 1.00 14.13 H new ATOM 0 HD13 ILE A 27 -9.149 -1.678 -5.914 1.00 14.13 H new ATOM 474 N TYR A 28 -9.846 -2.070 0.019 1.00 72.42 N ATOM 475 CA TYR A 28 -10.694 -1.663 1.161 1.00 35.33 C ATOM 476 C TYR A 28 -9.842 -1.311 2.414 1.00 43.23 C ATOM 477 O TYR A 28 -9.927 -0.199 2.932 1.00 3.54 O ATOM 478 CB TYR A 28 -11.696 -2.815 1.450 1.00 53.32 C ATOM 479 CG TYR A 28 -12.580 -2.658 2.695 1.00 14.53 C ATOM 480 CD1 TYR A 28 -13.653 -1.765 2.714 1.00 40.43 C ATOM 481 CD2 TYR A 28 -12.349 -3.426 3.845 1.00 53.42 C ATOM 482 CE1 TYR A 28 -14.459 -1.642 3.831 1.00 33.21 C ATOM 483 CE2 TYR A 28 -13.156 -3.306 4.957 1.00 13.03 C ATOM 484 CZ TYR A 28 -14.208 -2.413 4.946 1.00 53.31 C ATOM 485 OH TYR A 28 -15.012 -2.291 6.060 1.00 52.44 O ATOM 0 H TYR A 28 -10.031 -3.021 -0.300 1.00 72.42 H new ATOM 0 HA TYR A 28 -11.241 -0.755 0.909 1.00 35.33 H new ATOM 0 HB2 TYR A 28 -12.346 -2.928 0.582 1.00 53.32 H new ATOM 0 HB3 TYR A 28 -11.131 -3.742 1.547 1.00 53.32 H new ATOM 0 HD1 TYR A 28 -13.857 -1.161 1.842 1.00 40.43 H new ATOM 0 HD2 TYR A 28 -11.525 -4.124 3.860 1.00 53.42 H new ATOM 0 HE1 TYR A 28 -15.283 -0.944 3.830 1.00 33.21 H new ATOM 0 HE2 TYR A 28 -12.965 -3.908 5.833 1.00 13.03 H new ATOM 0 HH TYR A 28 -14.700 -2.905 6.757 1.00 52.44 H new ATOM 495 N GLN A 29 -8.992 -2.261 2.851 1.00 41.02 N ATOM 496 CA GLN A 29 -8.184 -2.140 4.102 1.00 34.05 C ATOM 497 C GLN A 29 -7.083 -1.053 4.012 1.00 44.42 C ATOM 498 O GLN A 29 -6.636 -0.535 5.040 1.00 64.11 O ATOM 499 CB GLN A 29 -7.545 -3.502 4.443 1.00 21.30 C ATOM 500 CG GLN A 29 -8.554 -4.643 4.676 1.00 55.44 C ATOM 501 CD GLN A 29 -7.868 -6.010 4.811 1.00 13.43 C ATOM 502 OE1 GLN A 29 -7.609 -6.663 3.692 1.00 21.52 O flip ATOM 503 NE2 GLN A 29 -7.530 -6.451 5.903 1.00 50.35 N flip ATOM 0 H GLN A 29 -8.839 -3.138 2.353 1.00 41.02 H new ATOM 0 HA GLN A 29 -8.868 -1.832 4.892 1.00 34.05 H new ATOM 0 HB2 GLN A 29 -6.875 -3.787 3.632 1.00 21.30 H new ATOM 0 HB3 GLN A 29 -6.933 -3.388 5.338 1.00 21.30 H new ATOM 0 HG2 GLN A 29 -9.129 -4.437 5.579 1.00 55.44 H new ATOM 0 HG3 GLN A 29 -9.261 -4.674 3.847 1.00 55.44 H new ATOM 0 HE21 GLN A 29 -7.742 -5.927 6.752 1.00 50.35 H new ATOM 0 HE22 GLN A 29 -7.037 -7.342 5.963 1.00 50.35 H new ATOM 512 N SER A 30 -6.648 -0.727 2.785 1.00 10.13 N ATOM 513 CA SER A 30 -5.681 0.374 2.547 1.00 74.15 C ATOM 514 C SER A 30 -6.344 1.737 2.735 1.00 42.05 C ATOM 515 O SER A 30 -5.684 2.721 3.087 1.00 34.10 O ATOM 516 CB SER A 30 -5.091 0.296 1.134 1.00 14.51 C ATOM 517 OG SER A 30 -6.058 0.527 0.121 1.00 11.15 O ATOM 0 H SER A 30 -6.947 -1.207 1.936 1.00 10.13 H new ATOM 0 HA SER A 30 -4.880 0.260 3.277 1.00 74.15 H new ATOM 0 HB2 SER A 30 -4.290 1.029 1.039 1.00 14.51 H new ATOM 0 HB3 SER A 30 -4.644 -0.687 0.986 1.00 14.51 H new ATOM 0 HG SER A 30 -6.908 0.112 0.379 1.00 11.15 H new ATOM 523 N ARG A 31 -7.656 1.789 2.462 1.00 21.13 N ATOM 524 CA ARG A 31 -8.464 2.989 2.693 1.00 71.45 C ATOM 525 C ARG A 31 -8.973 3.062 4.147 1.00 51.24 C ATOM 526 O ARG A 31 -9.298 4.154 4.621 1.00 21.52 O ATOM 527 CB ARG A 31 -9.654 3.021 1.708 1.00 63.22 C ATOM 528 CG ARG A 31 -9.243 3.029 0.215 1.00 52.41 C ATOM 529 CD ARG A 31 -10.392 3.469 -0.703 1.00 24.13 C ATOM 530 NE ARG A 31 -10.741 4.879 -0.457 1.00 72.15 N ATOM 531 CZ ARG A 31 -11.769 5.517 -0.950 1.00 1.23 C ATOM 532 NH1 ARG A 31 -12.640 4.923 -1.715 1.00 15.32 N ATOM 533 NH2 ARG A 31 -11.925 6.759 -0.668 1.00 34.15 N ATOM 0 H ARG A 31 -8.182 1.004 2.077 1.00 21.13 H new ATOM 0 HA ARG A 31 -7.829 3.858 2.522 1.00 71.45 H new ATOM 0 HB2 ARG A 31 -10.288 2.154 1.894 1.00 63.22 H new ATOM 0 HB3 ARG A 31 -10.256 3.906 1.912 1.00 63.22 H new ATOM 0 HG2 ARG A 31 -8.394 3.699 0.078 1.00 52.41 H new ATOM 0 HG3 ARG A 31 -8.912 2.032 -0.074 1.00 52.41 H new ATOM 0 HD2 ARG A 31 -10.103 3.337 -1.746 1.00 24.13 H new ATOM 0 HD3 ARG A 31 -11.264 2.838 -0.532 1.00 24.13 H new ATOM 0 HE ARG A 31 -10.121 5.407 0.157 1.00 72.15 H new ATOM 0 HH11 ARG A 31 -12.529 3.935 -1.943 1.00 15.32 H new ATOM 0 HH12 ARG A 31 -13.433 5.446 -2.086 1.00 15.32 H new ATOM 0 HH21 ARG A 31 -11.252 7.234 -0.067 1.00 34.15 H new ATOM 0 HH22 ARG A 31 -12.722 7.271 -1.045 1.00 34.15 H new ATOM 547 N LYS A 32 -9.004 1.919 4.885 1.00 54.32 N ATOM 548 CA LYS A 32 -9.359 1.958 6.321 1.00 35.24 C ATOM 549 C LYS A 32 -8.077 2.251 7.117 1.00 54.35 C ATOM 550 O LYS A 32 -7.244 1.361 7.316 1.00 30.11 O ATOM 551 CB LYS A 32 -9.982 0.605 6.813 1.00 55.43 C ATOM 552 CG LYS A 32 -11.037 -0.050 5.890 1.00 54.11 C ATOM 553 CD LYS A 32 -12.178 0.885 5.437 1.00 33.30 C ATOM 554 CE LYS A 32 -12.997 1.471 6.602 1.00 72.25 C ATOM 555 NZ LYS A 32 -13.600 0.417 7.460 1.00 74.52 N ATOM 0 H LYS A 32 -8.794 0.990 4.520 1.00 54.32 H new ATOM 0 HA LYS A 32 -10.110 2.733 6.475 1.00 35.24 H new ATOM 0 HB2 LYS A 32 -9.171 -0.108 6.963 1.00 55.43 H new ATOM 0 HB3 LYS A 32 -10.441 0.776 7.787 1.00 55.43 H new ATOM 0 HG2 LYS A 32 -10.533 -0.438 5.005 1.00 54.11 H new ATOM 0 HG3 LYS A 32 -11.472 -0.904 6.409 1.00 54.11 H new ATOM 0 HD2 LYS A 32 -11.756 1.703 4.854 1.00 33.30 H new ATOM 0 HD3 LYS A 32 -12.846 0.334 4.775 1.00 33.30 H new ATOM 0 HE2 LYS A 32 -12.354 2.107 7.211 1.00 72.25 H new ATOM 0 HE3 LYS A 32 -13.788 2.106 6.203 1.00 72.25 H new ATOM 0 HZ1 LYS A 32 -14.369 0.828 8.027 1.00 74.52 H new ATOM 0 HZ2 LYS A 32 -13.980 -0.343 6.861 1.00 74.52 H new ATOM 0 HZ3 LYS A 32 -12.873 0.027 8.094 1.00 74.52 H new ATOM 569 N ARG A 33 -7.966 3.480 7.635 1.00 41.03 N ATOM 570 CA ARG A 33 -6.740 3.978 8.303 1.00 54.23 C ATOM 571 C ARG A 33 -7.111 4.936 9.456 1.00 73.41 C ATOM 572 O ARG A 33 -8.282 5.306 9.629 1.00 21.21 O ATOM 573 CB ARG A 33 -5.789 4.741 7.303 1.00 2.20 C ATOM 574 CG ARG A 33 -5.177 3.933 6.117 1.00 72.25 C ATOM 575 CD ARG A 33 -4.484 2.598 6.523 1.00 41.41 C ATOM 576 NE ARG A 33 -3.734 2.670 7.794 1.00 4.22 N ATOM 577 CZ ARG A 33 -3.022 1.696 8.317 1.00 74.43 C ATOM 578 NH1 ARG A 33 -2.789 0.591 7.671 1.00 60.51 N ATOM 579 NH2 ARG A 33 -2.549 1.834 9.502 1.00 53.32 N ATOM 0 H ARG A 33 -8.721 4.165 7.607 1.00 41.03 H new ATOM 0 HA ARG A 33 -6.212 3.105 8.687 1.00 54.23 H new ATOM 0 HB2 ARG A 33 -6.347 5.579 6.884 1.00 2.20 H new ATOM 0 HB3 ARG A 33 -4.966 5.163 7.880 1.00 2.20 H new ATOM 0 HG2 ARG A 33 -5.968 3.712 5.400 1.00 72.25 H new ATOM 0 HG3 ARG A 33 -4.449 4.562 5.605 1.00 72.25 H new ATOM 0 HD2 ARG A 33 -5.241 1.818 6.604 1.00 41.41 H new ATOM 0 HD3 ARG A 33 -3.802 2.299 5.727 1.00 41.41 H new ATOM 0 HE ARG A 33 -3.772 3.549 8.309 1.00 4.22 H new ATOM 0 HH11 ARG A 33 -3.163 0.461 6.731 1.00 60.51 H new ATOM 0 HH12 ARG A 33 -2.233 -0.146 8.105 1.00 60.51 H new ATOM 0 HH21 ARG A 33 -2.727 2.691 10.026 1.00 53.32 H new ATOM 0 HH22 ARG A 33 -1.995 1.087 9.920 1.00 53.32 H new ATOM 593 N GLY A 34 -6.092 5.318 10.247 1.00 63.25 N ATOM 594 CA GLY A 34 -6.223 6.392 11.236 1.00 65.14 C ATOM 595 C GLY A 34 -6.390 7.772 10.583 1.00 75.32 C ATOM 596 O GLY A 34 -7.278 8.544 10.958 1.00 75.24 O ATOM 0 H GLY A 34 -5.165 4.893 10.216 1.00 63.25 H new ATOM 0 HA2 GLY A 34 -7.082 6.190 11.876 1.00 65.14 H new ATOM 0 HA3 GLY A 34 -5.342 6.401 11.878 1.00 65.14 H new ATOM 600 N ILE A 35 -5.529 8.075 9.584 1.00 73.20 N ATOM 601 CA ILE A 35 -5.583 9.353 8.827 1.00 53.40 C ATOM 602 C ILE A 35 -6.076 9.148 7.370 1.00 54.31 C ATOM 603 O ILE A 35 -5.718 8.172 6.697 1.00 75.23 O ATOM 604 CB ILE A 35 -4.187 10.089 8.813 1.00 61.54 C ATOM 605 CG1 ILE A 35 -3.098 9.235 8.079 1.00 53.24 C ATOM 606 CG2 ILE A 35 -3.748 10.443 10.252 1.00 31.01 C ATOM 607 CD1 ILE A 35 -1.723 9.868 7.985 1.00 71.51 C ATOM 0 H ILE A 35 -4.783 7.449 9.280 1.00 73.20 H new ATOM 0 HA ILE A 35 -6.304 9.981 9.351 1.00 53.40 H new ATOM 0 HB ILE A 35 -4.299 11.018 8.254 1.00 61.54 H new ATOM 0 HG12 ILE A 35 -3.004 8.279 8.594 1.00 53.24 H new ATOM 0 HG13 ILE A 35 -3.449 9.020 7.070 1.00 53.24 H new ATOM 0 HG21 ILE A 35 -2.783 10.950 10.224 1.00 31.01 H new ATOM 0 HG22 ILE A 35 -4.490 11.099 10.708 1.00 31.01 H new ATOM 0 HG23 ILE A 35 -3.661 9.530 10.841 1.00 31.01 H new ATOM 0 HD11 ILE A 35 -1.047 9.194 7.459 1.00 71.51 H new ATOM 0 HD12 ILE A 35 -1.792 10.810 7.440 1.00 71.51 H new ATOM 0 HD13 ILE A 35 -1.340 10.056 8.988 1.00 71.51 H new ATOM 619 N LEU A 36 -6.926 10.083 6.912 1.00 20.11 N ATOM 620 CA LEU A 36 -7.403 10.154 5.510 1.00 25.33 C ATOM 621 C LEU A 36 -6.312 10.695 4.550 1.00 23.24 C ATOM 622 O LEU A 36 -6.465 10.626 3.325 1.00 22.12 O ATOM 623 CB LEU A 36 -8.718 10.987 5.406 1.00 34.25 C ATOM 624 CG LEU A 36 -10.010 10.345 6.027 1.00 42.43 C ATOM 625 CD1 LEU A 36 -10.280 8.949 5.430 1.00 4.21 C ATOM 626 CD2 LEU A 36 -9.970 10.310 7.574 1.00 74.43 C ATOM 0 H LEU A 36 -7.308 10.820 7.506 1.00 20.11 H new ATOM 0 HA LEU A 36 -7.626 9.135 5.193 1.00 25.33 H new ATOM 0 HB2 LEU A 36 -8.550 11.950 5.889 1.00 34.25 H new ATOM 0 HB3 LEU A 36 -8.911 11.189 4.352 1.00 34.25 H new ATOM 0 HG LEU A 36 -10.846 10.990 5.758 1.00 42.43 H new ATOM 0 HD11 LEU A 36 -11.180 8.529 5.879 1.00 4.21 H new ATOM 0 HD12 LEU A 36 -10.418 9.035 4.352 1.00 4.21 H new ATOM 0 HD13 LEU A 36 -9.433 8.295 5.637 1.00 4.21 H new ATOM 0 HD21 LEU A 36 -10.887 9.857 7.952 1.00 74.43 H new ATOM 0 HD22 LEU A 36 -9.113 9.723 7.903 1.00 74.43 H new ATOM 0 HD23 LEU A 36 -9.883 11.326 7.959 1.00 74.43 H new ATOM 638 N GLU A 37 -5.221 11.243 5.121 1.00 10.15 N ATOM 639 CA GLU A 37 -4.023 11.662 4.356 1.00 21.41 C ATOM 640 C GLU A 37 -3.433 10.463 3.559 1.00 62.34 C ATOM 641 O GLU A 37 -3.196 10.552 2.347 1.00 2.14 O ATOM 642 CB GLU A 37 -2.951 12.243 5.324 1.00 25.03 C ATOM 643 CG GLU A 37 -3.436 13.395 6.234 1.00 25.40 C ATOM 644 CD GLU A 37 -3.812 14.677 5.464 1.00 5.23 C ATOM 645 OE1 GLU A 37 -2.898 15.441 5.086 1.00 45.22 O ATOM 646 OE2 GLU A 37 -5.018 14.926 5.228 1.00 71.51 O ATOM 0 H GLU A 37 -5.143 11.409 6.124 1.00 10.15 H new ATOM 0 HA GLU A 37 -4.317 12.434 3.645 1.00 21.41 H new ATOM 0 HB2 GLU A 37 -2.580 11.436 5.955 1.00 25.03 H new ATOM 0 HB3 GLU A 37 -2.107 12.600 4.733 1.00 25.03 H new ATOM 0 HG2 GLU A 37 -4.302 13.057 6.803 1.00 25.40 H new ATOM 0 HG3 GLU A 37 -2.653 13.631 6.955 1.00 25.40 H new ATOM 653 N THR A 38 -3.226 9.339 4.269 1.00 72.23 N ATOM 654 CA THR A 38 -2.719 8.075 3.683 1.00 23.53 C ATOM 655 C THR A 38 -3.793 7.370 2.813 1.00 64.21 C ATOM 656 O THR A 38 -3.448 6.638 1.886 1.00 52.33 O ATOM 657 CB THR A 38 -2.179 7.110 4.789 1.00 55.12 C ATOM 658 OG1 THR A 38 -1.220 7.813 5.593 1.00 55.44 O ATOM 659 CG2 THR A 38 -1.506 5.847 4.215 1.00 43.24 C ATOM 0 H THR A 38 -3.405 9.277 5.271 1.00 72.23 H new ATOM 0 HA THR A 38 -1.888 8.339 3.029 1.00 23.53 H new ATOM 0 HB THR A 38 -3.038 6.785 5.376 1.00 55.12 H new ATOM 0 HG1 THR A 38 -0.531 7.188 5.902 1.00 55.44 H new ATOM 0 HG21 THR A 38 -1.153 5.219 5.033 1.00 43.24 H new ATOM 0 HG22 THR A 38 -2.227 5.291 3.616 1.00 43.24 H new ATOM 0 HG23 THR A 38 -0.662 6.137 3.590 1.00 43.24 H new ATOM 667 N ASP A 39 -5.096 7.580 3.130 1.00 1.20 N ATOM 668 CA ASP A 39 -6.227 7.113 2.269 1.00 60.40 C ATOM 669 C ASP A 39 -6.061 7.625 0.811 1.00 73.50 C ATOM 670 O ASP A 39 -6.154 6.848 -0.123 1.00 1.11 O ATOM 671 CB ASP A 39 -7.591 7.583 2.863 1.00 52.12 C ATOM 672 CG ASP A 39 -8.816 7.369 1.931 1.00 41.32 C ATOM 673 OD1 ASP A 39 -9.142 8.274 1.123 1.00 5.25 O ATOM 674 OD2 ASP A 39 -9.466 6.312 2.005 1.00 12.01 O ATOM 0 H ASP A 39 -5.395 8.069 3.974 1.00 1.20 H new ATOM 0 HA ASP A 39 -6.214 6.023 2.248 1.00 60.40 H new ATOM 0 HB2 ASP A 39 -7.766 7.051 3.798 1.00 52.12 H new ATOM 0 HB3 ASP A 39 -7.519 8.643 3.107 1.00 52.12 H new ATOM 679 N LEU A 40 -5.787 8.938 0.649 1.00 60.34 N ATOM 680 CA LEU A 40 -5.553 9.570 -0.685 1.00 50.53 C ATOM 681 C LEU A 40 -4.371 8.914 -1.455 1.00 21.14 C ATOM 682 O LEU A 40 -4.380 8.833 -2.689 1.00 21.13 O ATOM 683 CB LEU A 40 -5.289 11.091 -0.508 1.00 71.35 C ATOM 684 CG LEU A 40 -6.450 11.916 0.137 1.00 54.43 C ATOM 685 CD1 LEU A 40 -6.044 13.391 0.332 1.00 74.12 C ATOM 686 CD2 LEU A 40 -7.752 11.803 -0.693 1.00 65.35 C ATOM 0 H LEU A 40 -5.720 9.593 1.428 1.00 60.34 H new ATOM 0 HA LEU A 40 -6.453 9.414 -1.280 1.00 50.53 H new ATOM 0 HB2 LEU A 40 -4.396 11.216 0.105 1.00 71.35 H new ATOM 0 HB3 LEU A 40 -5.066 11.517 -1.486 1.00 71.35 H new ATOM 0 HG LEU A 40 -6.647 11.490 1.121 1.00 54.43 H new ATOM 0 HD11 LEU A 40 -6.871 13.940 0.782 1.00 74.12 H new ATOM 0 HD12 LEU A 40 -5.174 13.445 0.986 1.00 74.12 H new ATOM 0 HD13 LEU A 40 -5.800 13.832 -0.634 1.00 74.12 H new ATOM 0 HD21 LEU A 40 -8.539 12.388 -0.217 1.00 65.35 H new ATOM 0 HD22 LEU A 40 -7.576 12.183 -1.699 1.00 65.35 H new ATOM 0 HD23 LEU A 40 -8.059 10.759 -0.748 1.00 65.35 H new ATOM 698 N LEU A 41 -3.349 8.473 -0.707 1.00 13.31 N ATOM 699 CA LEU A 41 -2.163 7.786 -1.271 1.00 52.11 C ATOM 700 C LEU A 41 -2.501 6.341 -1.740 1.00 22.22 C ATOM 701 O LEU A 41 -2.370 6.007 -2.925 1.00 72.34 O ATOM 702 CB LEU A 41 -1.030 7.765 -0.206 1.00 13.12 C ATOM 703 CG LEU A 41 0.281 7.004 -0.592 1.00 63.42 C ATOM 704 CD1 LEU A 41 0.949 7.622 -1.841 1.00 22.11 C ATOM 705 CD2 LEU A 41 1.258 6.939 0.609 1.00 74.11 C ATOM 0 H LEU A 41 -3.315 8.579 0.307 1.00 13.31 H new ATOM 0 HA LEU A 41 -1.830 8.337 -2.151 1.00 52.11 H new ATOM 0 HB2 LEU A 41 -0.768 8.796 0.033 1.00 13.12 H new ATOM 0 HB3 LEU A 41 -1.427 7.318 0.705 1.00 13.12 H new ATOM 0 HG LEU A 41 0.009 5.981 -0.851 1.00 63.42 H new ATOM 0 HD11 LEU A 41 1.857 7.068 -2.080 1.00 22.11 H new ATOM 0 HD12 LEU A 41 0.260 7.571 -2.684 1.00 22.11 H new ATOM 0 HD13 LEU A 41 1.202 8.663 -1.641 1.00 22.11 H new ATOM 0 HD21 LEU A 41 2.161 6.405 0.315 1.00 74.11 H new ATOM 0 HD22 LEU A 41 1.519 7.950 0.920 1.00 74.11 H new ATOM 0 HD23 LEU A 41 0.781 6.416 1.438 1.00 74.11 H new ATOM 717 N LEU A 42 -2.971 5.520 -0.790 1.00 12.33 N ATOM 718 CA LEU A 42 -3.190 4.074 -0.984 1.00 11.40 C ATOM 719 C LEU A 42 -4.443 3.751 -1.829 1.00 55.04 C ATOM 720 O LEU A 42 -4.505 2.680 -2.414 1.00 43.41 O ATOM 721 CB LEU A 42 -3.259 3.351 0.388 1.00 54.22 C ATOM 722 CG LEU A 42 -1.954 3.373 1.249 1.00 21.04 C ATOM 723 CD1 LEU A 42 -2.124 2.542 2.544 1.00 71.33 C ATOM 724 CD2 LEU A 42 -0.731 2.895 0.432 1.00 15.33 C ATOM 0 H LEU A 42 -3.214 5.842 0.147 1.00 12.33 H new ATOM 0 HA LEU A 42 -2.335 3.705 -1.551 1.00 11.40 H new ATOM 0 HB2 LEU A 42 -4.062 3.801 0.972 1.00 54.22 H new ATOM 0 HB3 LEU A 42 -3.536 2.311 0.213 1.00 54.22 H new ATOM 0 HG LEU A 42 -1.769 4.407 1.540 1.00 21.04 H new ATOM 0 HD11 LEU A 42 -1.200 2.576 3.122 1.00 71.33 H new ATOM 0 HD12 LEU A 42 -2.939 2.956 3.138 1.00 71.33 H new ATOM 0 HD13 LEU A 42 -2.352 1.508 2.285 1.00 71.33 H new ATOM 0 HD21 LEU A 42 0.159 2.923 1.060 1.00 15.33 H new ATOM 0 HD22 LEU A 42 -0.900 1.875 0.087 1.00 15.33 H new ATOM 0 HD23 LEU A 42 -0.589 3.550 -0.428 1.00 15.33 H new ATOM 736 N SER A 43 -5.442 4.652 -1.858 1.00 30.32 N ATOM 737 CA SER A 43 -6.676 4.472 -2.683 1.00 31.31 C ATOM 738 C SER A 43 -6.354 4.485 -4.192 1.00 52.52 C ATOM 739 O SER A 43 -6.735 3.565 -4.924 1.00 30.40 O ATOM 740 CB SER A 43 -7.720 5.572 -2.373 1.00 71.31 C ATOM 741 OG SER A 43 -8.904 5.412 -3.137 1.00 11.43 O ATOM 0 H SER A 43 -5.429 5.519 -1.321 1.00 30.32 H new ATOM 0 HA SER A 43 -7.093 3.499 -2.421 1.00 31.31 H new ATOM 0 HB2 SER A 43 -7.967 5.548 -1.312 1.00 71.31 H new ATOM 0 HB3 SER A 43 -7.286 6.551 -2.577 1.00 71.31 H new ATOM 0 HG SER A 43 -9.538 6.125 -2.911 1.00 11.43 H new ATOM 747 N GLY A 44 -5.637 5.537 -4.634 1.00 71.24 N ATOM 748 CA GLY A 44 -5.193 5.657 -6.033 1.00 54.30 C ATOM 749 C GLY A 44 -4.184 4.576 -6.438 1.00 15.41 C ATOM 750 O GLY A 44 -4.220 4.067 -7.562 1.00 13.22 O ATOM 0 H GLY A 44 -5.354 6.316 -4.040 1.00 71.24 H new ATOM 0 HA2 GLY A 44 -6.061 5.600 -6.690 1.00 54.30 H new ATOM 0 HA3 GLY A 44 -4.744 6.639 -6.183 1.00 54.30 H new ATOM 754 N PHE A 45 -3.278 4.238 -5.497 1.00 13.13 N ATOM 755 CA PHE A 45 -2.292 3.149 -5.662 1.00 0.43 C ATOM 756 C PHE A 45 -2.986 1.775 -5.823 1.00 24.35 C ATOM 757 O PHE A 45 -2.613 0.980 -6.678 1.00 14.42 O ATOM 758 CB PHE A 45 -1.319 3.134 -4.447 1.00 33.33 C ATOM 759 CG PHE A 45 -0.191 2.100 -4.542 1.00 3.13 C ATOM 760 CD1 PHE A 45 0.984 2.375 -5.247 1.00 51.03 C ATOM 761 CD2 PHE A 45 -0.314 0.846 -3.935 1.00 72.12 C ATOM 762 CE1 PHE A 45 1.982 1.430 -5.342 1.00 42.20 C ATOM 763 CE2 PHE A 45 0.693 -0.091 -4.033 1.00 60.44 C ATOM 764 CZ PHE A 45 1.841 0.203 -4.734 1.00 34.51 C ATOM 0 H PHE A 45 -3.209 4.715 -4.598 1.00 13.13 H new ATOM 0 HA PHE A 45 -1.725 3.335 -6.574 1.00 0.43 H new ATOM 0 HB2 PHE A 45 -0.877 4.125 -4.341 1.00 33.33 H new ATOM 0 HB3 PHE A 45 -1.894 2.942 -3.541 1.00 33.33 H new ATOM 0 HD1 PHE A 45 1.111 3.337 -5.722 1.00 51.03 H new ATOM 0 HD2 PHE A 45 -1.210 0.608 -3.382 1.00 72.12 H new ATOM 0 HE1 PHE A 45 2.881 1.653 -5.897 1.00 42.20 H new ATOM 0 HE2 PHE A 45 0.581 -1.055 -3.560 1.00 60.44 H new ATOM 0 HZ PHE A 45 2.631 -0.529 -4.807 1.00 34.51 H new ATOM 774 N ALA A 46 -4.010 1.523 -5.004 1.00 52.45 N ATOM 775 CA ALA A 46 -4.717 0.226 -4.976 1.00 64.23 C ATOM 776 C ALA A 46 -5.599 0.012 -6.221 1.00 32.32 C ATOM 777 O ALA A 46 -5.563 -1.054 -6.841 1.00 51.35 O ATOM 778 CB ALA A 46 -5.547 0.110 -3.700 1.00 4.25 C ATOM 0 H ALA A 46 -4.377 2.206 -4.341 1.00 52.45 H new ATOM 0 HA ALA A 46 -3.961 -0.560 -4.986 1.00 64.23 H new ATOM 0 HB1 ALA A 46 -6.064 -0.849 -3.688 1.00 4.25 H new ATOM 0 HB2 ALA A 46 -4.891 0.179 -2.832 1.00 4.25 H new ATOM 0 HB3 ALA A 46 -6.279 0.917 -3.667 1.00 4.25 H new ATOM 784 N ALA A 47 -6.369 1.046 -6.589 1.00 25.01 N ATOM 785 CA ALA A 47 -7.276 1.007 -7.763 1.00 1.04 C ATOM 786 C ALA A 47 -6.504 0.784 -9.090 1.00 74.34 C ATOM 787 O ALA A 47 -7.017 0.157 -10.023 1.00 62.22 O ATOM 788 CB ALA A 47 -8.090 2.309 -7.832 1.00 31.15 C ATOM 0 H ALA A 47 -6.386 1.934 -6.088 1.00 25.01 H new ATOM 0 HA ALA A 47 -7.949 0.159 -7.636 1.00 1.04 H new ATOM 0 HB1 ALA A 47 -8.755 2.277 -8.695 1.00 31.15 H new ATOM 0 HB2 ALA A 47 -8.681 2.417 -6.923 1.00 31.15 H new ATOM 0 HB3 ALA A 47 -7.412 3.157 -7.927 1.00 31.15 H new ATOM 794 N LYS A 48 -5.265 1.305 -9.142 1.00 74.14 N ATOM 795 CA LYS A 48 -4.396 1.240 -10.335 1.00 44.23 C ATOM 796 C LYS A 48 -3.557 -0.066 -10.382 1.00 54.01 C ATOM 797 O LYS A 48 -3.601 -0.814 -11.366 1.00 5.25 O ATOM 798 CB LYS A 48 -3.457 2.473 -10.333 1.00 52.23 C ATOM 799 CG LYS A 48 -2.468 2.552 -11.519 1.00 30.15 C ATOM 800 CD LYS A 48 -1.545 3.789 -11.434 1.00 73.53 C ATOM 801 CE LYS A 48 -2.320 5.120 -11.472 1.00 72.34 C ATOM 802 NZ LYS A 48 -3.120 5.272 -12.713 1.00 62.03 N ATOM 0 H LYS A 48 -4.834 1.787 -8.353 1.00 74.14 H new ATOM 0 HA LYS A 48 -5.031 1.242 -11.221 1.00 44.23 H new ATOM 0 HB2 LYS A 48 -4.069 3.375 -10.331 1.00 52.23 H new ATOM 0 HB3 LYS A 48 -2.886 2.473 -9.405 1.00 52.23 H new ATOM 0 HG2 LYS A 48 -1.859 1.648 -11.542 1.00 30.15 H new ATOM 0 HG3 LYS A 48 -3.028 2.583 -12.454 1.00 30.15 H new ATOM 0 HD2 LYS A 48 -0.963 3.739 -10.513 1.00 73.53 H new ATOM 0 HD3 LYS A 48 -0.835 3.764 -12.261 1.00 73.53 H new ATOM 0 HE2 LYS A 48 -2.981 5.178 -10.607 1.00 72.34 H new ATOM 0 HE3 LYS A 48 -1.617 5.949 -11.392 1.00 72.34 H new ATOM 0 HZ1 LYS A 48 -3.555 6.216 -12.732 1.00 62.03 H new ATOM 0 HZ2 LYS A 48 -2.501 5.159 -13.541 1.00 62.03 H new ATOM 0 HZ3 LYS A 48 -3.865 4.547 -12.737 1.00 62.03 H new ATOM 816 N TYR A 49 -2.798 -0.327 -9.303 1.00 64.54 N ATOM 817 CA TYR A 49 -1.833 -1.447 -9.245 1.00 63.33 C ATOM 818 C TYR A 49 -2.534 -2.812 -9.051 1.00 54.45 C ATOM 819 O TYR A 49 -2.279 -3.734 -9.828 1.00 52.13 O ATOM 820 CB TYR A 49 -0.763 -1.189 -8.145 1.00 12.14 C ATOM 821 CG TYR A 49 0.269 -0.101 -8.520 1.00 63.35 C ATOM 822 CD1 TYR A 49 -0.092 1.249 -8.619 1.00 63.52 C ATOM 823 CD2 TYR A 49 1.603 -0.430 -8.779 1.00 53.42 C ATOM 824 CE1 TYR A 49 0.835 2.220 -8.956 1.00 40.35 C ATOM 825 CE2 TYR A 49 2.527 0.539 -9.115 1.00 51.24 C ATOM 826 CZ TYR A 49 2.140 1.861 -9.205 1.00 34.31 C ATOM 827 OH TYR A 49 3.068 2.829 -9.535 1.00 0.32 O ATOM 0 H TYR A 49 -2.833 0.228 -8.448 1.00 64.54 H new ATOM 0 HA TYR A 49 -1.325 -1.496 -10.208 1.00 63.33 H new ATOM 0 HB2 TYR A 49 -1.266 -0.897 -7.223 1.00 12.14 H new ATOM 0 HB3 TYR A 49 -0.236 -2.121 -7.939 1.00 12.14 H new ATOM 0 HD1 TYR A 49 -1.115 1.538 -8.428 1.00 63.52 H new ATOM 0 HD2 TYR A 49 1.916 -1.462 -8.715 1.00 53.42 H new ATOM 0 HE1 TYR A 49 0.535 3.255 -9.023 1.00 40.35 H new ATOM 0 HE2 TYR A 49 3.553 0.263 -9.308 1.00 51.24 H new ATOM 0 HH TYR A 49 3.942 2.409 -9.678 1.00 0.32 H new ATOM 837 N LEU A 50 -3.454 -2.932 -8.052 1.00 13.34 N ATOM 838 CA LEU A 50 -4.185 -4.220 -7.792 1.00 23.24 C ATOM 839 C LEU A 50 -5.032 -4.684 -8.988 1.00 71.11 C ATOM 840 O LEU A 50 -5.296 -5.878 -9.123 1.00 3.31 O ATOM 841 CB LEU A 50 -5.068 -4.174 -6.516 1.00 62.35 C ATOM 842 CG LEU A 50 -4.325 -4.431 -5.177 1.00 70.42 C ATOM 843 CD1 LEU A 50 -3.435 -3.258 -4.769 1.00 24.21 C ATOM 844 CD2 LEU A 50 -5.308 -4.795 -4.059 1.00 61.34 C ATOM 0 H LEU A 50 -3.708 -2.172 -7.421 1.00 13.34 H new ATOM 0 HA LEU A 50 -3.393 -4.951 -7.631 1.00 23.24 H new ATOM 0 HB2 LEU A 50 -5.548 -3.197 -6.463 1.00 62.35 H new ATOM 0 HB3 LEU A 50 -5.862 -4.914 -6.618 1.00 62.35 H new ATOM 0 HG LEU A 50 -3.666 -5.284 -5.341 1.00 70.42 H new ATOM 0 HD11 LEU A 50 -2.938 -3.489 -3.826 1.00 24.21 H new ATOM 0 HD12 LEU A 50 -2.685 -3.084 -5.541 1.00 24.21 H new ATOM 0 HD13 LEU A 50 -4.045 -2.363 -4.648 1.00 24.21 H new ATOM 0 HD21 LEU A 50 -4.759 -4.969 -3.134 1.00 61.34 H new ATOM 0 HD22 LEU A 50 -6.013 -3.977 -3.914 1.00 61.34 H new ATOM 0 HD23 LEU A 50 -5.853 -5.699 -4.333 1.00 61.34 H new ATOM 856 N LYS A 51 -5.419 -3.737 -9.848 1.00 14.05 N ATOM 857 CA LYS A 51 -6.185 -4.020 -11.084 1.00 31.04 C ATOM 858 C LYS A 51 -5.452 -5.056 -11.989 1.00 64.42 C ATOM 859 O LYS A 51 -6.088 -5.872 -12.665 1.00 22.13 O ATOM 860 CB LYS A 51 -6.416 -2.691 -11.858 1.00 25.34 C ATOM 861 CG LYS A 51 -7.475 -2.758 -12.986 1.00 51.20 C ATOM 862 CD LYS A 51 -8.910 -3.005 -12.452 1.00 64.44 C ATOM 863 CE LYS A 51 -9.406 -1.871 -11.522 1.00 75.13 C ATOM 864 NZ LYS A 51 -10.775 -2.131 -11.013 1.00 55.24 N ATOM 0 H LYS A 51 -5.213 -2.747 -9.714 1.00 14.05 H new ATOM 0 HA LYS A 51 -7.144 -4.456 -10.805 1.00 31.04 H new ATOM 0 HB2 LYS A 51 -6.716 -1.922 -11.146 1.00 25.34 H new ATOM 0 HB3 LYS A 51 -5.468 -2.372 -12.291 1.00 25.34 H new ATOM 0 HG2 LYS A 51 -7.458 -1.825 -13.549 1.00 51.20 H new ATOM 0 HG3 LYS A 51 -7.209 -3.555 -13.681 1.00 51.20 H new ATOM 0 HD2 LYS A 51 -9.595 -3.104 -13.294 1.00 64.44 H new ATOM 0 HD3 LYS A 51 -8.934 -3.950 -11.910 1.00 64.44 H new ATOM 0 HE2 LYS A 51 -8.720 -1.765 -10.681 1.00 75.13 H new ATOM 0 HE3 LYS A 51 -9.394 -0.926 -12.064 1.00 75.13 H new ATOM 0 HZ1 LYS A 51 -11.070 -1.349 -10.394 1.00 55.24 H new ATOM 0 HZ2 LYS A 51 -11.434 -2.207 -11.814 1.00 55.24 H new ATOM 0 HZ3 LYS A 51 -10.782 -3.020 -10.474 1.00 55.24 H new ATOM 878 N LYS A 52 -4.102 -5.005 -11.965 1.00 60.50 N ATOM 879 CA LYS A 52 -3.220 -5.890 -12.771 1.00 22.31 C ATOM 880 C LYS A 52 -2.240 -6.721 -11.887 1.00 55.21 C ATOM 881 O LYS A 52 -1.457 -7.521 -12.417 1.00 14.43 O ATOM 882 CB LYS A 52 -2.411 -5.016 -13.771 1.00 11.13 C ATOM 883 CG LYS A 52 -3.277 -4.154 -14.727 1.00 14.30 C ATOM 884 CD LYS A 52 -2.430 -3.218 -15.625 1.00 62.02 C ATOM 885 CE LYS A 52 -1.607 -2.198 -14.818 1.00 24.24 C ATOM 886 NZ LYS A 52 -0.680 -1.419 -15.678 1.00 53.45 N ATOM 0 H LYS A 52 -3.586 -4.345 -11.383 1.00 60.50 H new ATOM 0 HA LYS A 52 -3.853 -6.601 -13.302 1.00 22.31 H new ATOM 0 HB2 LYS A 52 -1.752 -4.357 -13.206 1.00 11.13 H new ATOM 0 HB3 LYS A 52 -1.773 -5.668 -14.369 1.00 11.13 H new ATOM 0 HG2 LYS A 52 -3.877 -4.810 -15.358 1.00 14.30 H new ATOM 0 HG3 LYS A 52 -3.972 -3.555 -14.139 1.00 14.30 H new ATOM 0 HD2 LYS A 52 -1.756 -3.820 -16.235 1.00 62.02 H new ATOM 0 HD3 LYS A 52 -3.090 -2.685 -16.310 1.00 62.02 H new ATOM 0 HE2 LYS A 52 -2.282 -1.515 -14.303 1.00 24.24 H new ATOM 0 HE3 LYS A 52 -1.036 -2.720 -14.051 1.00 24.24 H new ATOM 0 HZ1 LYS A 52 -0.147 -0.745 -15.092 1.00 53.45 H new ATOM 0 HZ2 LYS A 52 -0.018 -2.067 -16.150 1.00 53.45 H new ATOM 0 HZ3 LYS A 52 -1.226 -0.899 -16.394 1.00 53.45 H new ATOM 900 N MET A 53 -2.280 -6.527 -10.553 1.00 72.13 N ATOM 901 CA MET A 53 -1.347 -7.158 -9.608 1.00 23.03 C ATOM 902 C MET A 53 -1.690 -8.651 -9.341 1.00 20.11 C ATOM 903 O MET A 53 -2.858 -9.016 -9.163 1.00 15.23 O ATOM 904 CB MET A 53 -1.367 -6.362 -8.278 1.00 40.04 C ATOM 905 CG MET A 53 -0.371 -6.850 -7.251 1.00 23.21 C ATOM 906 SD MET A 53 -0.503 -6.062 -5.630 1.00 14.35 S ATOM 907 CE MET A 53 -0.061 -4.365 -5.971 1.00 34.21 C ATOM 0 H MET A 53 -2.967 -5.923 -10.102 1.00 72.13 H new ATOM 0 HA MET A 53 -0.352 -7.138 -10.052 1.00 23.03 H new ATOM 0 HB2 MET A 53 -1.167 -5.312 -8.492 1.00 40.04 H new ATOM 0 HB3 MET A 53 -2.368 -6.415 -7.851 1.00 40.04 H new ATOM 0 HG2 MET A 53 -0.496 -7.926 -7.127 1.00 23.21 H new ATOM 0 HG3 MET A 53 0.636 -6.688 -7.637 1.00 23.21 H new ATOM 0 HE1 MET A 53 -0.020 -3.805 -5.037 1.00 34.21 H new ATOM 0 HE2 MET A 53 0.915 -4.334 -6.456 1.00 34.21 H new ATOM 0 HE3 MET A 53 -0.808 -3.920 -6.629 1.00 34.21 H new ATOM 917 N ASN A 54 -0.639 -9.491 -9.280 1.00 73.13 N ATOM 918 CA ASN A 54 -0.749 -10.948 -9.007 1.00 61.25 C ATOM 919 C ASN A 54 -0.654 -11.232 -7.488 1.00 4.11 C ATOM 920 O ASN A 54 -0.198 -10.371 -6.731 1.00 12.12 O ATOM 921 CB ASN A 54 0.375 -11.698 -9.760 1.00 4.14 C ATOM 922 CG ASN A 54 0.464 -11.292 -11.229 1.00 4.14 C ATOM 923 OD1 ASN A 54 -0.196 -11.857 -12.091 1.00 4.11 O ATOM 924 ND2 ASN A 54 1.283 -10.305 -11.525 1.00 43.01 N ATOM 0 H ASN A 54 0.322 -9.180 -9.419 1.00 73.13 H new ATOM 0 HA ASN A 54 -1.720 -11.299 -9.357 1.00 61.25 H new ATOM 0 HB2 ASN A 54 1.330 -11.500 -9.273 1.00 4.14 H new ATOM 0 HB3 ASN A 54 0.200 -12.772 -9.693 1.00 4.14 H new ATOM 0 HD21 ASN A 54 1.379 -9.994 -12.492 1.00 43.01 H new ATOM 0 HD22 ASN A 54 1.822 -9.851 -10.788 1.00 43.01 H new ATOM 931 N GLU A 55 -1.026 -12.464 -7.059 1.00 53.04 N ATOM 932 CA GLU A 55 -1.111 -12.826 -5.614 1.00 13.12 C ATOM 933 C GLU A 55 0.228 -12.669 -4.858 1.00 31.00 C ATOM 934 O GLU A 55 0.221 -12.284 -3.693 1.00 54.13 O ATOM 935 CB GLU A 55 -1.650 -14.262 -5.401 1.00 22.02 C ATOM 936 CG GLU A 55 -3.164 -14.420 -5.605 1.00 32.31 C ATOM 937 CD GLU A 55 -3.740 -15.648 -4.878 1.00 12.31 C ATOM 938 OE1 GLU A 55 -3.457 -16.782 -5.297 1.00 31.41 O ATOM 939 OE2 GLU A 55 -4.457 -15.475 -3.866 1.00 35.32 O ATOM 0 H GLU A 55 -1.273 -13.226 -7.690 1.00 53.04 H new ATOM 0 HA GLU A 55 -1.817 -12.110 -5.194 1.00 13.12 H new ATOM 0 HB2 GLU A 55 -1.133 -14.934 -6.086 1.00 22.02 H new ATOM 0 HB3 GLU A 55 -1.399 -14.583 -4.390 1.00 22.02 H new ATOM 0 HG2 GLU A 55 -3.669 -13.523 -5.248 1.00 32.31 H new ATOM 0 HG3 GLU A 55 -3.375 -14.503 -6.671 1.00 32.31 H new ATOM 946 N GLU A 56 1.345 -12.984 -5.535 1.00 14.42 N ATOM 947 CA GLU A 56 2.722 -12.859 -4.975 1.00 62.44 C ATOM 948 C GLU A 56 3.011 -11.422 -4.449 1.00 12.14 C ATOM 949 O GLU A 56 3.539 -11.238 -3.341 1.00 41.13 O ATOM 950 CB GLU A 56 3.757 -13.282 -6.060 1.00 40.13 C ATOM 951 CG GLU A 56 3.632 -12.531 -7.411 1.00 44.51 C ATOM 952 CD GLU A 56 4.569 -13.073 -8.500 1.00 10.02 C ATOM 953 OE1 GLU A 56 4.243 -14.121 -9.103 1.00 35.21 O ATOM 954 OE2 GLU A 56 5.625 -12.459 -8.772 1.00 52.24 O ATOM 0 H GLU A 56 1.329 -13.335 -6.492 1.00 14.42 H new ATOM 0 HA GLU A 56 2.808 -13.524 -4.115 1.00 62.44 H new ATOM 0 HB2 GLU A 56 4.761 -13.124 -5.665 1.00 40.13 H new ATOM 0 HB3 GLU A 56 3.652 -14.351 -6.244 1.00 40.13 H new ATOM 0 HG2 GLU A 56 2.602 -12.599 -7.762 1.00 44.51 H new ATOM 0 HG3 GLU A 56 3.846 -11.474 -7.252 1.00 44.51 H new ATOM 961 N GLU A 57 2.624 -10.420 -5.253 1.00 12.15 N ATOM 962 CA GLU A 57 2.737 -8.991 -4.899 1.00 5.33 C ATOM 963 C GLU A 57 1.630 -8.575 -3.889 1.00 62.51 C ATOM 964 O GLU A 57 1.855 -7.713 -3.038 1.00 22.30 O ATOM 965 CB GLU A 57 2.631 -8.144 -6.185 1.00 31.20 C ATOM 966 CG GLU A 57 3.606 -8.529 -7.316 1.00 45.50 C ATOM 967 CD GLU A 57 3.219 -7.887 -8.663 1.00 75.41 C ATOM 968 OE1 GLU A 57 2.296 -8.407 -9.331 1.00 24.43 O ATOM 969 OE2 GLU A 57 3.815 -6.859 -9.048 1.00 24.23 O ATOM 0 H GLU A 57 2.220 -10.577 -6.176 1.00 12.15 H new ATOM 0 HA GLU A 57 3.702 -8.820 -4.422 1.00 5.33 H new ATOM 0 HB2 GLU A 57 1.612 -8.219 -6.566 1.00 31.20 H new ATOM 0 HB3 GLU A 57 2.798 -7.099 -5.925 1.00 31.20 H new ATOM 0 HG2 GLU A 57 4.615 -8.219 -7.044 1.00 45.50 H new ATOM 0 HG3 GLU A 57 3.624 -9.613 -7.424 1.00 45.50 H new ATOM 976 N LEU A 58 0.434 -9.210 -4.006 1.00 30.15 N ATOM 977 CA LEU A 58 -0.720 -8.990 -3.086 1.00 34.02 C ATOM 978 C LEU A 58 -0.412 -9.426 -1.628 1.00 10.11 C ATOM 979 O LEU A 58 -1.001 -8.886 -0.689 1.00 44.42 O ATOM 980 CB LEU A 58 -1.990 -9.746 -3.587 1.00 51.45 C ATOM 981 CG LEU A 58 -2.647 -9.214 -4.901 1.00 55.22 C ATOM 982 CD1 LEU A 58 -3.822 -10.107 -5.341 1.00 54.12 C ATOM 983 CD2 LEU A 58 -3.113 -7.761 -4.744 1.00 62.43 C ATOM 0 H LEU A 58 0.240 -9.890 -4.741 1.00 30.15 H new ATOM 0 HA LEU A 58 -0.906 -7.916 -3.088 1.00 34.02 H new ATOM 0 HB2 LEU A 58 -1.726 -10.793 -3.737 1.00 51.45 H new ATOM 0 HB3 LEU A 58 -2.739 -9.716 -2.795 1.00 51.45 H new ATOM 0 HG LEU A 58 -1.883 -9.246 -5.678 1.00 55.22 H new ATOM 0 HD11 LEU A 58 -4.257 -9.710 -6.258 1.00 54.12 H new ATOM 0 HD12 LEU A 58 -3.462 -11.120 -5.519 1.00 54.12 H new ATOM 0 HD13 LEU A 58 -4.579 -10.124 -4.557 1.00 54.12 H new ATOM 0 HD21 LEU A 58 -3.565 -7.421 -5.676 1.00 62.43 H new ATOM 0 HD22 LEU A 58 -3.847 -7.699 -3.941 1.00 62.43 H new ATOM 0 HD23 LEU A 58 -2.258 -7.129 -4.504 1.00 62.43 H new ATOM 995 N GLU A 59 0.479 -10.431 -1.454 1.00 13.31 N ATOM 996 CA GLU A 59 0.943 -10.870 -0.113 1.00 23.55 C ATOM 997 C GLU A 59 1.742 -9.740 0.579 1.00 4.14 C ATOM 998 O GLU A 59 1.560 -9.450 1.767 1.00 63.22 O ATOM 999 CB GLU A 59 1.841 -12.135 -0.216 1.00 4.40 C ATOM 1000 CG GLU A 59 1.204 -13.374 -0.896 1.00 3.35 C ATOM 1001 CD GLU A 59 -0.122 -13.862 -0.270 1.00 42.50 C ATOM 1002 OE1 GLU A 59 -0.249 -13.861 0.972 1.00 5.44 O ATOM 1003 OE2 GLU A 59 -1.036 -14.275 -1.020 1.00 23.42 O ATOM 0 H GLU A 59 0.892 -10.955 -2.226 1.00 13.31 H new ATOM 0 HA GLU A 59 0.059 -11.110 0.477 1.00 23.55 H new ATOM 0 HB2 GLU A 59 2.745 -11.870 -0.765 1.00 4.40 H new ATOM 0 HB3 GLU A 59 2.151 -12.418 0.790 1.00 4.40 H new ATOM 0 HG2 GLU A 59 1.027 -13.141 -1.946 1.00 3.35 H new ATOM 0 HG3 GLU A 59 1.923 -14.193 -0.868 1.00 3.35 H new ATOM 1010 N GLU A 60 2.626 -9.109 -0.205 1.00 3.45 N ATOM 1011 CA GLU A 60 3.456 -7.979 0.250 1.00 43.01 C ATOM 1012 C GLU A 60 2.589 -6.709 0.448 1.00 13.43 C ATOM 1013 O GLU A 60 2.837 -5.915 1.359 1.00 1.34 O ATOM 1014 CB GLU A 60 4.608 -7.744 -0.770 1.00 53.43 C ATOM 1015 CG GLU A 60 5.695 -6.742 -0.322 1.00 13.33 C ATOM 1016 CD GLU A 60 7.000 -6.864 -1.135 1.00 22.42 C ATOM 1017 OE1 GLU A 60 7.102 -6.253 -2.220 1.00 14.42 O ATOM 1018 OE2 GLU A 60 7.927 -7.579 -0.689 1.00 74.41 O ATOM 0 H GLU A 60 2.788 -9.367 -1.178 1.00 3.45 H new ATOM 0 HA GLU A 60 3.898 -8.215 1.218 1.00 43.01 H new ATOM 0 HB2 GLU A 60 5.085 -8.701 -0.981 1.00 53.43 H new ATOM 0 HB3 GLU A 60 4.175 -7.390 -1.706 1.00 53.43 H new ATOM 0 HG2 GLU A 60 5.308 -5.728 -0.417 1.00 13.33 H new ATOM 0 HG3 GLU A 60 5.915 -6.901 0.734 1.00 13.33 H new ATOM 1025 N TYR A 61 1.541 -6.553 -0.392 1.00 24.31 N ATOM 1026 CA TYR A 61 0.550 -5.468 -0.254 1.00 71.34 C ATOM 1027 C TYR A 61 -0.317 -5.641 1.015 1.00 61.45 C ATOM 1028 O TYR A 61 -0.687 -4.652 1.658 1.00 14.12 O ATOM 1029 CB TYR A 61 -0.338 -5.372 -1.516 1.00 22.34 C ATOM 1030 CG TYR A 61 -1.284 -4.167 -1.493 1.00 4.22 C ATOM 1031 CD1 TYR A 61 -0.802 -2.874 -1.704 1.00 3.40 C ATOM 1032 CD2 TYR A 61 -2.643 -4.316 -1.227 1.00 2.52 C ATOM 1033 CE1 TYR A 61 -1.641 -1.785 -1.655 1.00 20.04 C ATOM 1034 CE2 TYR A 61 -3.480 -3.228 -1.176 1.00 12.25 C ATOM 1035 CZ TYR A 61 -2.976 -1.968 -1.396 1.00 54.02 C ATOM 1036 OH TYR A 61 -3.809 -0.890 -1.359 1.00 14.24 O ATOM 0 H TYR A 61 1.361 -7.174 -1.181 1.00 24.31 H new ATOM 0 HA TYR A 61 1.102 -4.534 -0.148 1.00 71.34 H new ATOM 0 HB2 TYR A 61 0.299 -5.310 -2.398 1.00 22.34 H new ATOM 0 HB3 TYR A 61 -0.925 -6.286 -1.611 1.00 22.34 H new ATOM 0 HD1 TYR A 61 0.248 -2.726 -1.909 1.00 3.40 H new ATOM 0 HD2 TYR A 61 -3.046 -5.304 -1.058 1.00 2.52 H new ATOM 0 HE1 TYR A 61 -1.251 -0.791 -1.819 1.00 20.04 H new ATOM 0 HE2 TYR A 61 -4.530 -3.362 -0.964 1.00 12.25 H new ATOM 0 HH TYR A 61 -4.722 -1.189 -1.165 1.00 14.24 H new ATOM 1046 N ASP A 62 -0.620 -6.904 1.368 1.00 35.14 N ATOM 1047 CA ASP A 62 -1.338 -7.233 2.616 1.00 42.00 C ATOM 1048 C ASP A 62 -0.497 -6.807 3.840 1.00 21.32 C ATOM 1049 O ASP A 62 -1.015 -6.211 4.784 1.00 25.42 O ATOM 1050 CB ASP A 62 -1.671 -8.743 2.673 1.00 25.15 C ATOM 1051 CG ASP A 62 -2.565 -9.105 3.872 1.00 20.44 C ATOM 1052 OD1 ASP A 62 -3.804 -8.986 3.753 1.00 4.31 O ATOM 1053 OD2 ASP A 62 -2.039 -9.486 4.946 1.00 61.54 O ATOM 0 H ASP A 62 -0.378 -7.718 0.804 1.00 35.14 H new ATOM 0 HA ASP A 62 -2.278 -6.682 2.634 1.00 42.00 H new ATOM 0 HB2 ASP A 62 -2.171 -9.037 1.750 1.00 25.15 H new ATOM 0 HB3 ASP A 62 -0.744 -9.314 2.729 1.00 25.15 H new ATOM 1058 N SER A 63 0.815 -7.086 3.771 1.00 2.45 N ATOM 1059 CA SER A 63 1.800 -6.654 4.791 1.00 44.25 C ATOM 1060 C SER A 63 1.807 -5.111 4.979 1.00 44.35 C ATOM 1061 O SER A 63 2.052 -4.627 6.081 1.00 2.33 O ATOM 1062 CB SER A 63 3.214 -7.144 4.403 1.00 21.51 C ATOM 1063 OG SER A 63 3.246 -8.555 4.234 1.00 13.23 O ATOM 0 H SER A 63 1.229 -7.619 3.006 1.00 2.45 H new ATOM 0 HA SER A 63 1.504 -7.100 5.741 1.00 44.25 H new ATOM 0 HB2 SER A 63 3.528 -6.658 3.479 1.00 21.51 H new ATOM 0 HB3 SER A 63 3.926 -6.852 5.175 1.00 21.51 H new ATOM 0 HG SER A 63 2.774 -8.797 3.410 1.00 13.23 H new ATOM 1069 N LEU A 64 1.524 -4.355 3.890 1.00 22.34 N ATOM 1070 CA LEU A 64 1.428 -2.872 3.926 1.00 72.23 C ATOM 1071 C LEU A 64 0.165 -2.405 4.692 1.00 33.53 C ATOM 1072 O LEU A 64 0.186 -1.390 5.395 1.00 14.23 O ATOM 1073 CB LEU A 64 1.426 -2.302 2.481 1.00 22.33 C ATOM 1074 CG LEU A 64 1.576 -0.751 2.352 1.00 33.21 C ATOM 1075 CD1 LEU A 64 2.952 -0.267 2.879 1.00 12.42 C ATOM 1076 CD2 LEU A 64 1.327 -0.274 0.898 1.00 73.23 C ATOM 0 H LEU A 64 1.356 -4.752 2.966 1.00 22.34 H new ATOM 0 HA LEU A 64 2.299 -2.491 4.459 1.00 72.23 H new ATOM 0 HB2 LEU A 64 2.238 -2.772 1.926 1.00 22.33 H new ATOM 0 HB3 LEU A 64 0.495 -2.598 1.997 1.00 22.33 H new ATOM 0 HG LEU A 64 0.808 -0.298 2.979 1.00 33.21 H new ATOM 0 HD11 LEU A 64 3.022 0.816 2.774 1.00 12.42 H new ATOM 0 HD12 LEU A 64 3.054 -0.537 3.930 1.00 12.42 H new ATOM 0 HD13 LEU A 64 3.748 -0.739 2.304 1.00 12.42 H new ATOM 0 HD21 LEU A 64 1.440 0.809 0.846 1.00 73.23 H new ATOM 0 HD22 LEU A 64 2.049 -0.746 0.232 1.00 73.23 H new ATOM 0 HD23 LEU A 64 0.317 -0.549 0.593 1.00 73.23 H new ATOM 1088 N LEU A 65 -0.930 -3.176 4.551 1.00 62.13 N ATOM 1089 CA LEU A 65 -2.202 -2.935 5.286 1.00 41.13 C ATOM 1090 C LEU A 65 -1.992 -3.140 6.806 1.00 72.12 C ATOM 1091 O LEU A 65 -2.612 -2.462 7.632 1.00 44.05 O ATOM 1092 CB LEU A 65 -3.319 -3.894 4.779 1.00 1.35 C ATOM 1093 CG LEU A 65 -3.438 -4.047 3.233 1.00 13.55 C ATOM 1094 CD1 LEU A 65 -4.539 -5.044 2.854 1.00 54.41 C ATOM 1095 CD2 LEU A 65 -3.638 -2.691 2.532 1.00 52.12 C ATOM 0 H LEU A 65 -0.965 -3.983 3.928 1.00 62.13 H new ATOM 0 HA LEU A 65 -2.510 -1.906 5.102 1.00 41.13 H new ATOM 0 HB2 LEU A 65 -3.146 -4.880 5.210 1.00 1.35 H new ATOM 0 HB3 LEU A 65 -4.276 -3.541 5.164 1.00 1.35 H new ATOM 0 HG LEU A 65 -2.490 -4.451 2.877 1.00 13.55 H new ATOM 0 HD11 LEU A 65 -4.596 -5.128 1.769 1.00 54.41 H new ATOM 0 HD12 LEU A 65 -4.309 -6.020 3.282 1.00 54.41 H new ATOM 0 HD13 LEU A 65 -5.496 -4.694 3.242 1.00 54.41 H new ATOM 0 HD21 LEU A 65 -3.716 -2.846 1.456 1.00 52.12 H new ATOM 0 HD22 LEU A 65 -4.552 -2.223 2.898 1.00 52.12 H new ATOM 0 HD23 LEU A 65 -2.788 -2.043 2.745 1.00 52.12 H new ATOM 1107 N ASN A 66 -1.091 -4.089 7.137 1.00 31.12 N ATOM 1108 CA ASN A 66 -0.717 -4.431 8.529 1.00 74.53 C ATOM 1109 C ASN A 66 0.080 -3.294 9.226 1.00 44.50 C ATOM 1110 O ASN A 66 0.105 -3.224 10.462 1.00 61.34 O ATOM 1111 CB ASN A 66 0.118 -5.746 8.555 1.00 52.13 C ATOM 1112 CG ASN A 66 -0.642 -7.023 8.149 1.00 43.33 C ATOM 1113 OD1 ASN A 66 -1.623 -6.929 7.273 1.00 23.23 O flip ATOM 1114 ND2 ASN A 66 -0.333 -8.111 8.626 1.00 11.11 N flip ATOM 0 H ASN A 66 -0.597 -4.646 6.440 1.00 31.12 H new ATOM 0 HA ASN A 66 -1.646 -4.569 9.082 1.00 74.53 H new ATOM 0 HB2 ASN A 66 0.973 -5.626 7.890 1.00 52.13 H new ATOM 0 HB3 ASN A 66 0.514 -5.884 9.561 1.00 52.13 H new ATOM 0 HD21 ASN A 66 0.427 -8.174 9.303 1.00 11.11 H new ATOM 0 HD22 ASN A 66 -0.837 -8.952 8.345 1.00 11.11 H new ATOM 1121 N GLU A 67 0.721 -2.411 8.428 1.00 53.11 N ATOM 1122 CA GLU A 67 1.559 -1.293 8.943 1.00 64.12 C ATOM 1123 C GLU A 67 0.698 -0.110 9.449 1.00 71.23 C ATOM 1124 O GLU A 67 -0.535 -0.129 9.337 1.00 64.23 O ATOM 1125 CB GLU A 67 2.535 -0.799 7.835 1.00 60.12 C ATOM 1126 CG GLU A 67 3.404 -1.894 7.189 1.00 32.11 C ATOM 1127 CD GLU A 67 4.271 -2.668 8.198 1.00 31.40 C ATOM 1128 OE1 GLU A 67 5.355 -2.166 8.561 1.00 52.41 O ATOM 1129 OE2 GLU A 67 3.885 -3.783 8.622 1.00 11.34 O ATOM 0 H GLU A 67 0.675 -2.449 7.410 1.00 53.11 H new ATOM 0 HA GLU A 67 2.129 -1.676 9.789 1.00 64.12 H new ATOM 0 HB2 GLU A 67 1.954 -0.311 7.053 1.00 60.12 H new ATOM 0 HB3 GLU A 67 3.192 -0.042 8.263 1.00 60.12 H new ATOM 0 HG2 GLU A 67 2.757 -2.597 6.664 1.00 32.11 H new ATOM 0 HG3 GLU A 67 4.052 -1.438 6.441 1.00 32.11 H new ATOM 1136 N LEU A 68 1.359 0.916 10.022 1.00 73.44 N ATOM 1137 CA LEU A 68 0.682 2.151 10.475 1.00 62.52 C ATOM 1138 C LEU A 68 0.750 3.244 9.388 1.00 72.34 C ATOM 1139 O LEU A 68 1.800 3.468 8.791 1.00 31.42 O ATOM 1140 CB LEU A 68 1.257 2.668 11.820 1.00 35.11 C ATOM 1141 CG LEU A 68 0.922 1.802 13.085 1.00 70.52 C ATOM 1142 CD1 LEU A 68 1.751 0.496 13.154 1.00 14.14 C ATOM 1143 CD2 LEU A 68 1.069 2.635 14.375 1.00 74.33 C ATOM 0 H LEU A 68 2.366 0.914 10.183 1.00 73.44 H new ATOM 0 HA LEU A 68 -0.365 1.903 10.648 1.00 62.52 H new ATOM 0 HB2 LEU A 68 2.341 2.737 11.727 1.00 35.11 H new ATOM 0 HB3 LEU A 68 0.886 3.679 11.987 1.00 35.11 H new ATOM 0 HG LEU A 68 -0.120 1.495 12.993 1.00 70.52 H new ATOM 0 HD11 LEU A 68 1.477 -0.062 14.049 1.00 14.14 H new ATOM 0 HD12 LEU A 68 1.548 -0.111 12.272 1.00 14.14 H new ATOM 0 HD13 LEU A 68 2.813 0.740 13.190 1.00 14.14 H new ATOM 0 HD21 LEU A 68 0.832 2.014 15.238 1.00 74.33 H new ATOM 0 HD22 LEU A 68 2.094 2.997 14.459 1.00 74.33 H new ATOM 0 HD23 LEU A 68 0.386 3.484 14.340 1.00 74.33 H new ATOM 1155 N ASP A 69 -0.393 3.913 9.177 1.00 52.12 N ATOM 1156 CA ASP A 69 -0.624 4.891 8.072 1.00 60.23 C ATOM 1157 C ASP A 69 0.439 6.019 7.978 1.00 24.11 C ATOM 1158 O ASP A 69 0.932 6.309 6.877 1.00 33.51 O ATOM 1159 CB ASP A 69 -2.058 5.487 8.178 1.00 51.13 C ATOM 1160 CG ASP A 69 -2.514 5.708 9.625 1.00 12.21 C ATOM 1161 OD1 ASP A 69 -2.225 6.769 10.204 1.00 22.11 O ATOM 1162 OD2 ASP A 69 -3.133 4.783 10.196 1.00 62.01 O ATOM 0 H ASP A 69 -1.210 3.795 9.777 1.00 52.12 H new ATOM 0 HA ASP A 69 -0.522 4.327 7.145 1.00 60.23 H new ATOM 0 HB2 ASP A 69 -2.090 6.437 7.645 1.00 51.13 H new ATOM 0 HB3 ASP A 69 -2.760 4.818 7.681 1.00 51.13 H new ATOM 1167 N TRP A 70 0.764 6.650 9.124 1.00 54.42 N ATOM 1168 CA TRP A 70 1.838 7.675 9.204 1.00 53.32 C ATOM 1169 C TRP A 70 3.183 7.149 8.644 1.00 10.33 C ATOM 1170 O TRP A 70 3.793 7.789 7.778 1.00 34.41 O ATOM 1171 CB TRP A 70 2.023 8.190 10.662 1.00 54.35 C ATOM 1172 CG TRP A 70 0.979 9.193 11.088 1.00 70.10 C ATOM 1173 CD1 TRP A 70 0.016 9.048 12.047 1.00 21.04 C ATOM 1174 CD2 TRP A 70 0.802 10.510 10.537 1.00 32.22 C ATOM 1175 NE1 TRP A 70 -0.733 10.193 12.134 1.00 52.42 N ATOM 1176 CE2 TRP A 70 -0.270 11.104 11.215 1.00 12.23 C ATOM 1177 CE3 TRP A 70 1.458 11.243 9.536 1.00 42.31 C ATOM 1178 CZ2 TRP A 70 -0.710 12.393 10.924 1.00 44.52 C ATOM 1179 CZ3 TRP A 70 1.020 12.520 9.243 1.00 25.12 C ATOM 1180 CH2 TRP A 70 -0.057 13.085 9.937 1.00 54.31 C ATOM 0 H TRP A 70 0.299 6.470 10.014 1.00 54.42 H new ATOM 0 HA TRP A 70 1.521 8.511 8.580 1.00 53.32 H new ATOM 0 HB2 TRP A 70 1.997 7.340 11.344 1.00 54.35 H new ATOM 0 HB3 TRP A 70 3.010 8.644 10.755 1.00 54.35 H new ATOM 0 HD1 TRP A 70 -0.133 8.163 12.647 1.00 21.04 H new ATOM 0 HE1 TRP A 70 -1.510 10.345 12.778 1.00 52.42 H new ATOM 0 HE3 TRP A 70 2.294 10.815 9.002 1.00 42.31 H new ATOM 0 HZ2 TRP A 70 -1.539 12.833 11.459 1.00 44.52 H new ATOM 0 HZ3 TRP A 70 1.514 13.089 8.470 1.00 25.12 H new ATOM 0 HH2 TRP A 70 -0.380 14.086 9.690 1.00 54.31 H new ATOM 1191 N ASP A 71 3.588 5.949 9.101 1.00 10.50 N ATOM 1192 CA ASP A 71 4.860 5.305 8.694 1.00 61.34 C ATOM 1193 C ASP A 71 4.865 4.964 7.184 1.00 15.53 C ATOM 1194 O ASP A 71 5.846 5.241 6.494 1.00 22.42 O ATOM 1195 CB ASP A 71 5.095 4.031 9.544 1.00 1.51 C ATOM 1196 CG ASP A 71 5.186 4.343 11.045 1.00 22.42 C ATOM 1197 OD1 ASP A 71 4.134 4.446 11.709 1.00 5.21 O ATOM 1198 OD2 ASP A 71 6.308 4.525 11.564 1.00 21.23 O ATOM 0 H ASP A 71 3.045 5.395 9.763 1.00 10.50 H new ATOM 0 HA ASP A 71 5.673 6.009 8.870 1.00 61.34 H new ATOM 0 HB2 ASP A 71 4.283 3.325 9.370 1.00 1.51 H new ATOM 0 HB3 ASP A 71 6.015 3.544 9.219 1.00 1.51 H new ATOM 1203 N ILE A 72 3.737 4.401 6.690 1.00 71.01 N ATOM 1204 CA ILE A 72 3.519 4.094 5.244 1.00 54.23 C ATOM 1205 C ILE A 72 3.793 5.337 4.360 1.00 22.34 C ATOM 1206 O ILE A 72 4.503 5.262 3.350 1.00 53.14 O ATOM 1207 CB ILE A 72 2.033 3.600 4.989 1.00 41.54 C ATOM 1208 CG1 ILE A 72 1.729 2.286 5.777 1.00 14.32 C ATOM 1209 CG2 ILE A 72 1.731 3.414 3.476 1.00 14.33 C ATOM 1210 CD1 ILE A 72 0.272 1.829 5.724 1.00 3.43 C ATOM 0 H ILE A 72 2.946 4.144 7.280 1.00 71.01 H new ATOM 0 HA ILE A 72 4.218 3.302 4.975 1.00 54.23 H new ATOM 0 HB ILE A 72 1.373 4.383 5.361 1.00 41.54 H new ATOM 0 HG12 ILE A 72 2.360 1.489 5.383 1.00 14.32 H new ATOM 0 HG13 ILE A 72 2.012 2.431 6.820 1.00 14.32 H new ATOM 0 HG21 ILE A 72 0.703 3.075 3.349 1.00 14.33 H new ATOM 0 HG22 ILE A 72 1.866 4.364 2.959 1.00 14.33 H new ATOM 0 HG23 ILE A 72 2.412 2.673 3.058 1.00 14.33 H new ATOM 0 HD11 ILE A 72 0.158 0.910 6.299 1.00 3.43 H new ATOM 0 HD12 ILE A 72 -0.368 2.603 6.147 1.00 3.43 H new ATOM 0 HD13 ILE A 72 -0.015 1.647 4.688 1.00 3.43 H new ATOM 1222 N TYR A 73 3.236 6.484 4.788 1.00 33.12 N ATOM 1223 CA TYR A 73 3.377 7.763 4.075 1.00 73.54 C ATOM 1224 C TYR A 73 4.833 8.306 4.131 1.00 32.13 C ATOM 1225 O TYR A 73 5.333 8.837 3.137 1.00 31.44 O ATOM 1226 CB TYR A 73 2.377 8.799 4.651 1.00 30.10 C ATOM 1227 CG TYR A 73 2.419 10.161 3.940 1.00 31.23 C ATOM 1228 CD1 TYR A 73 2.138 10.257 2.573 1.00 2.03 C ATOM 1229 CD2 TYR A 73 2.773 11.335 4.617 1.00 51.04 C ATOM 1230 CE1 TYR A 73 2.205 11.466 1.915 1.00 53.03 C ATOM 1231 CE2 TYR A 73 2.843 12.547 3.956 1.00 41.14 C ATOM 1232 CZ TYR A 73 2.557 12.609 2.608 1.00 1.33 C ATOM 1233 OH TYR A 73 2.627 13.817 1.948 1.00 74.12 O ATOM 0 H TYR A 73 2.676 6.549 5.638 1.00 33.12 H new ATOM 0 HA TYR A 73 3.146 7.589 3.024 1.00 73.54 H new ATOM 0 HB2 TYR A 73 1.368 8.394 4.581 1.00 30.10 H new ATOM 0 HB3 TYR A 73 2.589 8.945 5.710 1.00 30.10 H new ATOM 0 HD1 TYR A 73 1.864 9.368 2.024 1.00 2.03 H new ATOM 0 HD2 TYR A 73 2.995 11.293 5.673 1.00 51.04 H new ATOM 0 HE1 TYR A 73 1.983 11.520 0.859 1.00 53.03 H new ATOM 0 HE2 TYR A 73 3.121 13.442 4.493 1.00 41.14 H new ATOM 0 HH TYR A 73 2.887 14.520 2.579 1.00 74.12 H new ATOM 1243 N TYR A 74 5.505 8.148 5.288 1.00 75.13 N ATOM 1244 CA TYR A 74 6.895 8.644 5.489 1.00 5.35 C ATOM 1245 C TYR A 74 7.944 7.792 4.731 1.00 1.22 C ATOM 1246 O TYR A 74 9.049 8.271 4.453 1.00 4.13 O ATOM 1247 CB TYR A 74 7.247 8.703 6.998 1.00 55.34 C ATOM 1248 CG TYR A 74 6.462 9.755 7.811 1.00 74.42 C ATOM 1249 CD1 TYR A 74 6.202 11.031 7.295 1.00 50.24 C ATOM 1250 CD2 TYR A 74 6.003 9.478 9.101 1.00 42.34 C ATOM 1251 CE1 TYR A 74 5.525 11.982 8.036 1.00 22.55 C ATOM 1252 CE2 TYR A 74 5.319 10.424 9.842 1.00 40.34 C ATOM 1253 CZ TYR A 74 5.082 11.673 9.305 1.00 65.31 C ATOM 1254 OH TYR A 74 4.408 12.626 10.043 1.00 51.44 O ATOM 0 H TYR A 74 5.112 7.680 6.105 1.00 75.13 H new ATOM 0 HA TYR A 74 6.930 9.651 5.073 1.00 5.35 H new ATOM 0 HB2 TYR A 74 7.069 7.721 7.436 1.00 55.34 H new ATOM 0 HB3 TYR A 74 8.313 8.909 7.099 1.00 55.34 H new ATOM 0 HD1 TYR A 74 6.537 11.277 6.298 1.00 50.24 H new ATOM 0 HD2 TYR A 74 6.186 8.504 9.529 1.00 42.34 H new ATOM 0 HE1 TYR A 74 5.344 12.963 7.623 1.00 22.55 H new ATOM 0 HE2 TYR A 74 4.972 10.186 10.837 1.00 40.34 H new ATOM 0 HH TYR A 74 3.444 12.459 9.990 1.00 51.44 H new ATOM 1264 N TRP A 75 7.597 6.527 4.431 1.00 64.32 N ATOM 1265 CA TRP A 75 8.429 5.641 3.587 1.00 12.40 C ATOM 1266 C TRP A 75 8.163 5.905 2.085 1.00 52.20 C ATOM 1267 O TRP A 75 9.069 5.784 1.263 1.00 33.32 O ATOM 1268 CB TRP A 75 8.157 4.151 3.917 1.00 33.14 C ATOM 1269 CG TRP A 75 8.423 3.753 5.355 1.00 14.10 C ATOM 1270 CD1 TRP A 75 9.377 4.257 6.196 1.00 33.32 C ATOM 1271 CD2 TRP A 75 7.732 2.738 6.104 1.00 3.34 C ATOM 1272 NE1 TRP A 75 9.307 3.636 7.416 1.00 33.42 N ATOM 1273 CE2 TRP A 75 8.307 2.702 7.386 1.00 63.31 C ATOM 1274 CE3 TRP A 75 6.673 1.868 5.813 1.00 61.13 C ATOM 1275 CZ2 TRP A 75 7.866 1.827 8.376 1.00 60.14 C ATOM 1276 CZ3 TRP A 75 6.234 1.001 6.795 1.00 12.10 C ATOM 1277 CH2 TRP A 75 6.829 0.985 8.065 1.00 25.15 C ATOM 0 H TRP A 75 6.738 6.089 4.763 1.00 64.32 H new ATOM 0 HA TRP A 75 9.475 5.862 3.802 1.00 12.40 H new ATOM 0 HB2 TRP A 75 7.117 3.926 3.680 1.00 33.14 H new ATOM 0 HB3 TRP A 75 8.773 3.532 3.265 1.00 33.14 H new ATOM 0 HD1 TRP A 75 10.083 5.032 5.936 1.00 33.32 H new ATOM 0 HE1 TRP A 75 9.904 3.838 8.218 1.00 33.42 H new ATOM 0 HE3 TRP A 75 6.208 1.875 4.838 1.00 61.13 H new ATOM 0 HZ2 TRP A 75 8.324 1.812 9.354 1.00 60.14 H new ATOM 0 HZ3 TRP A 75 5.420 0.325 6.581 1.00 12.10 H new ATOM 0 HH2 TRP A 75 6.464 0.296 8.812 1.00 25.15 H new ATOM 1288 N ALA A 76 6.900 6.240 1.745 1.00 13.43 N ATOM 1289 CA ALA A 76 6.495 6.614 0.363 1.00 32.35 C ATOM 1290 C ALA A 76 7.125 7.962 -0.084 1.00 34.52 C ATOM 1291 O ALA A 76 7.432 8.164 -1.263 1.00 34.35 O ATOM 1292 CB ALA A 76 4.967 6.681 0.277 1.00 22.32 C ATOM 0 H ALA A 76 6.131 6.260 2.415 1.00 13.43 H new ATOM 0 HA ALA A 76 6.867 5.847 -0.317 1.00 32.35 H new ATOM 0 HB1 ALA A 76 4.671 6.955 -0.736 1.00 22.32 H new ATOM 0 HB2 ALA A 76 4.545 5.707 0.527 1.00 22.32 H new ATOM 0 HB3 ALA A 76 4.596 7.428 0.978 1.00 22.32 H new ATOM 1298 N THR A 77 7.273 8.885 0.876 1.00 31.30 N ATOM 1299 CA THR A 77 8.004 10.160 0.689 1.00 32.40 C ATOM 1300 C THR A 77 9.446 10.021 1.226 1.00 11.15 C ATOM 1301 O THR A 77 9.814 8.982 1.788 1.00 24.14 O ATOM 1302 CB THR A 77 7.284 11.346 1.426 1.00 3.44 C ATOM 1303 OG1 THR A 77 7.224 11.093 2.843 1.00 22.42 O ATOM 1304 CG2 THR A 77 5.857 11.576 0.887 1.00 22.43 C ATOM 0 H THR A 77 6.888 8.773 1.814 1.00 31.30 H new ATOM 0 HA THR A 77 8.025 10.381 -0.378 1.00 32.40 H new ATOM 0 HB THR A 77 7.869 12.246 1.236 1.00 3.44 H new ATOM 0 HG1 THR A 77 7.421 11.919 3.331 1.00 22.42 H new ATOM 0 HG21 THR A 77 5.395 12.405 1.423 1.00 22.43 H new ATOM 0 HG22 THR A 77 5.903 11.813 -0.176 1.00 22.43 H new ATOM 0 HG23 THR A 77 5.263 10.673 1.032 1.00 22.43 H new ATOM 1312 N LYS A 78 10.275 11.067 1.056 1.00 31.31 N ATOM 1313 CA LYS A 78 11.650 11.076 1.606 1.00 42.24 C ATOM 1314 C LYS A 78 11.631 11.655 3.053 1.00 3.44 C ATOM 1315 O LYS A 78 12.170 12.736 3.319 1.00 35.30 O ATOM 1316 CB LYS A 78 12.629 11.850 0.652 1.00 44.02 C ATOM 1317 CG LYS A 78 14.023 11.187 0.463 1.00 32.51 C ATOM 1318 CD LYS A 78 14.842 11.090 1.769 1.00 42.42 C ATOM 1319 CE LYS A 78 16.265 10.548 1.545 1.00 53.30 C ATOM 1320 NZ LYS A 78 17.096 11.473 0.726 1.00 53.54 N ATOM 0 H LYS A 78 10.022 11.914 0.546 1.00 31.31 H new ATOM 0 HA LYS A 78 12.028 10.055 1.666 1.00 42.24 H new ATOM 0 HB2 LYS A 78 12.156 11.951 -0.325 1.00 44.02 H new ATOM 0 HB3 LYS A 78 12.772 12.857 1.043 1.00 44.02 H new ATOM 0 HG2 LYS A 78 13.888 10.186 0.053 1.00 32.51 H new ATOM 0 HG3 LYS A 78 14.591 11.758 -0.271 1.00 32.51 H new ATOM 0 HD2 LYS A 78 14.903 12.077 2.228 1.00 42.42 H new ATOM 0 HD3 LYS A 78 14.319 10.443 2.473 1.00 42.42 H new ATOM 0 HE2 LYS A 78 16.747 10.387 2.509 1.00 53.30 H new ATOM 0 HE3 LYS A 78 16.209 9.578 1.051 1.00 53.30 H new ATOM 0 HZ1 LYS A 78 18.086 11.156 0.741 1.00 53.54 H new ATOM 0 HZ2 LYS A 78 16.749 11.476 -0.254 1.00 53.54 H new ATOM 0 HZ3 LYS A 78 17.034 12.434 1.118 1.00 53.54 H new ATOM 1334 N ASN A 79 10.965 10.923 3.969 1.00 23.13 N ATOM 1335 CA ASN A 79 10.859 11.275 5.411 1.00 32.22 C ATOM 1336 C ASN A 79 11.289 10.063 6.276 1.00 10.41 C ATOM 1337 O ASN A 79 10.697 9.771 7.323 1.00 41.02 O ATOM 1338 CB ASN A 79 9.403 11.708 5.745 1.00 2.03 C ATOM 1339 CG ASN A 79 8.986 13.033 5.102 1.00 12.35 C ATOM 1340 OD1 ASN A 79 7.715 13.166 4.770 1.00 12.14 O flip ATOM 1341 ND2 ASN A 79 9.796 13.934 4.911 1.00 51.24 N flip ATOM 0 H ASN A 79 10.478 10.059 3.731 1.00 23.13 H new ATOM 0 HA ASN A 79 11.523 12.111 5.633 1.00 32.22 H new ATOM 0 HB2 ASN A 79 8.718 10.926 5.418 1.00 2.03 H new ATOM 0 HB3 ASN A 79 9.299 11.792 6.827 1.00 2.03 H new ATOM 0 HD21 ASN A 79 10.773 13.807 5.176 1.00 51.24 H new ATOM 0 HD22 ASN A 79 9.493 14.811 4.487 1.00 51.24 H new ATOM 1348 N PHE A 80 12.361 9.394 5.835 1.00 11.11 N ATOM 1349 CA PHE A 80 12.917 8.189 6.492 1.00 43.12 C ATOM 1350 C PHE A 80 13.550 8.505 7.868 1.00 72.50 C ATOM 1351 O PHE A 80 13.622 7.637 8.733 1.00 1.13 O ATOM 1352 CB PHE A 80 13.957 7.522 5.562 1.00 63.23 C ATOM 1353 CG PHE A 80 13.374 7.050 4.231 1.00 42.42 C ATOM 1354 CD1 PHE A 80 12.742 5.814 4.132 1.00 50.53 C ATOM 1355 CD2 PHE A 80 13.454 7.842 3.085 1.00 50.14 C ATOM 1356 CE1 PHE A 80 12.209 5.383 2.936 1.00 65.44 C ATOM 1357 CE2 PHE A 80 12.919 7.411 1.887 1.00 35.13 C ATOM 1358 CZ PHE A 80 12.300 6.182 1.809 1.00 71.44 C ATOM 0 H PHE A 80 12.879 9.672 5.001 1.00 11.11 H new ATOM 0 HA PHE A 80 12.090 7.502 6.674 1.00 43.12 H new ATOM 0 HB2 PHE A 80 14.763 8.229 5.366 1.00 63.23 H new ATOM 0 HB3 PHE A 80 14.400 6.670 6.078 1.00 63.23 H new ATOM 0 HD1 PHE A 80 12.668 5.183 5.005 1.00 50.53 H new ATOM 0 HD2 PHE A 80 13.941 8.805 3.136 1.00 50.14 H new ATOM 0 HE1 PHE A 80 11.720 4.422 2.878 1.00 65.44 H new ATOM 0 HE2 PHE A 80 12.986 8.038 1.010 1.00 35.13 H new ATOM 0 HZ PHE A 80 11.887 5.843 0.871 1.00 71.44 H new ATOM 1368 N LYS A 81 14.015 9.752 8.057 1.00 65.40 N ATOM 1369 CA LYS A 81 14.538 10.212 9.365 1.00 40.22 C ATOM 1370 C LYS A 81 13.391 10.462 10.385 1.00 23.12 C ATOM 1371 O LYS A 81 13.627 10.482 11.596 1.00 1.45 O ATOM 1372 CB LYS A 81 15.399 11.488 9.189 1.00 34.11 C ATOM 1373 CG LYS A 81 14.641 12.736 8.681 1.00 13.42 C ATOM 1374 CD LYS A 81 15.542 13.998 8.541 1.00 43.43 C ATOM 1375 CE LYS A 81 16.099 14.535 9.886 1.00 43.53 C ATOM 1376 NZ LYS A 81 17.229 13.728 10.431 1.00 51.33 N ATOM 0 H LYS A 81 14.041 10.462 7.325 1.00 65.40 H new ATOM 0 HA LYS A 81 15.168 9.418 9.766 1.00 40.22 H new ATOM 0 HB2 LYS A 81 15.860 11.729 10.147 1.00 34.11 H new ATOM 0 HB3 LYS A 81 16.208 11.267 8.492 1.00 34.11 H new ATOM 0 HG2 LYS A 81 14.194 12.510 7.713 1.00 13.42 H new ATOM 0 HG3 LYS A 81 13.823 12.958 9.366 1.00 13.42 H new ATOM 0 HD2 LYS A 81 16.378 13.762 7.883 1.00 43.43 H new ATOM 0 HD3 LYS A 81 14.968 14.788 8.057 1.00 43.43 H new ATOM 0 HE2 LYS A 81 16.432 15.563 9.747 1.00 43.53 H new ATOM 0 HE3 LYS A 81 15.293 14.558 10.620 1.00 43.53 H new ATOM 0 HZ1 LYS A 81 16.896 13.166 11.240 1.00 51.33 H new ATOM 0 HZ2 LYS A 81 17.589 13.091 9.692 1.00 51.33 H new ATOM 0 HZ3 LYS A 81 17.991 14.364 10.742 1.00 51.33 H new ATOM 1390 N THR A 82 12.160 10.662 9.872 1.00 32.41 N ATOM 1391 CA THR A 82 10.948 10.821 10.708 1.00 12.14 C ATOM 1392 C THR A 82 10.460 9.427 11.175 1.00 20.42 C ATOM 1393 O THR A 82 10.300 9.177 12.373 1.00 14.33 O ATOM 1394 CB THR A 82 9.803 11.548 9.914 1.00 14.44 C ATOM 1395 OG1 THR A 82 10.324 12.732 9.281 1.00 41.01 O ATOM 1396 CG2 THR A 82 8.620 11.937 10.820 1.00 70.33 C ATOM 0 H THR A 82 11.976 10.718 8.870 1.00 32.41 H new ATOM 0 HA THR A 82 11.201 11.434 11.573 1.00 12.14 H new ATOM 0 HB THR A 82 9.434 10.847 9.165 1.00 14.44 H new ATOM 0 HG1 THR A 82 9.607 13.181 8.786 1.00 41.01 H new ATOM 0 HG21 THR A 82 7.855 12.436 10.225 1.00 70.33 H new ATOM 0 HG22 THR A 82 8.199 11.040 11.274 1.00 70.33 H new ATOM 0 HG23 THR A 82 8.968 12.611 11.603 1.00 70.33 H new ATOM 1404 N SER A 83 10.243 8.523 10.196 1.00 4.32 N ATOM 1405 CA SER A 83 9.932 7.092 10.446 1.00 40.24 C ATOM 1406 C SER A 83 10.958 6.204 9.704 1.00 44.34 C ATOM 1407 O SER A 83 10.915 6.125 8.468 1.00 11.34 O ATOM 1408 CB SER A 83 8.488 6.741 9.999 1.00 61.21 C ATOM 1409 OG SER A 83 7.534 7.302 10.881 1.00 72.10 O ATOM 0 H SER A 83 10.278 8.762 9.205 1.00 4.32 H new ATOM 0 HA SER A 83 9.998 6.905 11.518 1.00 40.24 H new ATOM 0 HB2 SER A 83 8.316 7.111 8.988 1.00 61.21 H new ATOM 0 HB3 SER A 83 8.366 5.658 9.967 1.00 61.21 H new ATOM 0 HG SER A 83 6.999 6.586 11.283 1.00 72.10 H new ATOM 1415 N PRO A 84 11.920 5.539 10.441 1.00 13.33 N ATOM 1416 CA PRO A 84 12.988 4.701 9.819 1.00 13.34 C ATOM 1417 C PRO A 84 12.426 3.506 9.011 1.00 74.14 C ATOM 1418 O PRO A 84 11.492 2.821 9.455 1.00 11.23 O ATOM 1419 CB PRO A 84 13.839 4.227 11.038 1.00 71.13 C ATOM 1420 CG PRO A 84 12.920 4.355 12.217 1.00 71.31 C ATOM 1421 CD PRO A 84 12.056 5.564 11.927 1.00 54.40 C ATOM 0 HA PRO A 84 13.567 5.260 9.084 1.00 13.34 H new ATOM 0 HB2 PRO A 84 14.177 3.199 10.909 1.00 71.13 H new ATOM 0 HB3 PRO A 84 14.730 4.842 11.162 1.00 71.13 H new ATOM 0 HG2 PRO A 84 12.312 3.459 12.340 1.00 71.31 H new ATOM 0 HG3 PRO A 84 13.483 4.487 13.141 1.00 71.31 H new ATOM 0 HD2 PRO A 84 11.087 5.494 12.421 1.00 54.40 H new ATOM 0 HD3 PRO A 84 12.524 6.486 12.273 1.00 54.40 H new ATOM 1429 N LEU A 85 12.987 3.285 7.810 1.00 23.32 N ATOM 1430 CA LEU A 85 12.598 2.167 6.944 1.00 44.11 C ATOM 1431 C LEU A 85 13.148 0.821 7.494 1.00 51.24 C ATOM 1432 O LEU A 85 14.364 0.694 7.691 1.00 32.05 O ATOM 1433 CB LEU A 85 13.137 2.409 5.515 1.00 5.11 C ATOM 1434 CG LEU A 85 12.634 1.415 4.429 1.00 43.23 C ATOM 1435 CD1 LEU A 85 11.108 1.548 4.232 1.00 23.24 C ATOM 1436 CD2 LEU A 85 13.398 1.607 3.101 1.00 22.22 C ATOM 0 H LEU A 85 13.720 3.876 7.417 1.00 23.32 H new ATOM 0 HA LEU A 85 11.510 2.107 6.921 1.00 44.11 H new ATOM 0 HB2 LEU A 85 12.866 3.420 5.210 1.00 5.11 H new ATOM 0 HB3 LEU A 85 14.226 2.366 5.545 1.00 5.11 H new ATOM 0 HG LEU A 85 12.837 0.401 4.775 1.00 43.23 H new ATOM 0 HD11 LEU A 85 10.777 0.844 3.468 1.00 23.24 H new ATOM 0 HD12 LEU A 85 10.600 1.330 5.171 1.00 23.24 H new ATOM 0 HD13 LEU A 85 10.869 2.564 3.917 1.00 23.24 H new ATOM 0 HD21 LEU A 85 13.025 0.899 2.361 1.00 22.22 H new ATOM 0 HD22 LEU A 85 13.247 2.624 2.738 1.00 22.22 H new ATOM 0 HD23 LEU A 85 14.462 1.434 3.265 1.00 22.22 H new ATOM 1448 N PRO A 86 12.275 -0.204 7.750 1.00 22.34 N ATOM 1449 CA PRO A 86 12.726 -1.534 8.198 1.00 13.24 C ATOM 1450 C PRO A 86 13.152 -2.440 7.009 1.00 32.12 C ATOM 1451 O PRO A 86 12.793 -2.181 5.852 1.00 64.23 O ATOM 1452 CB PRO A 86 11.485 -2.081 8.943 1.00 73.32 C ATOM 1453 CG PRO A 86 10.299 -1.417 8.296 1.00 3.22 C ATOM 1454 CD PRO A 86 10.797 -0.155 7.603 1.00 41.24 C ATOM 0 HA PRO A 86 13.617 -1.498 8.825 1.00 13.24 H new ATOM 0 HB2 PRO A 86 11.422 -3.166 8.856 1.00 73.32 H new ATOM 0 HB3 PRO A 86 11.532 -1.848 10.007 1.00 73.32 H new ATOM 0 HG2 PRO A 86 9.830 -2.088 7.577 1.00 3.22 H new ATOM 0 HG3 PRO A 86 9.544 -1.171 9.043 1.00 3.22 H new ATOM 0 HD2 PRO A 86 10.504 -0.137 6.553 1.00 41.24 H new ATOM 0 HD3 PRO A 86 10.382 0.741 8.065 1.00 41.24 H new ATOM 1462 N ASP A 87 13.910 -3.508 7.323 1.00 52.44 N ATOM 1463 CA ASP A 87 14.466 -4.456 6.318 1.00 52.41 C ATOM 1464 C ASP A 87 13.368 -5.144 5.469 1.00 11.20 C ATOM 1465 O ASP A 87 13.576 -5.413 4.280 1.00 11.34 O ATOM 1466 CB ASP A 87 15.340 -5.519 7.024 1.00 15.42 C ATOM 1467 CG ASP A 87 16.565 -4.903 7.713 1.00 73.01 C ATOM 1468 OD1 ASP A 87 16.431 -4.391 8.847 1.00 75.32 O ATOM 1469 OD2 ASP A 87 17.662 -4.910 7.114 1.00 32.14 O ATOM 0 H ASP A 87 14.159 -3.745 8.283 1.00 52.44 H new ATOM 0 HA ASP A 87 15.076 -3.872 5.629 1.00 52.41 H new ATOM 0 HB2 ASP A 87 14.738 -6.048 7.763 1.00 15.42 H new ATOM 0 HB3 ASP A 87 15.670 -6.258 6.294 1.00 15.42 H new ATOM 1474 N LYS A 88 12.203 -5.406 6.105 1.00 73.00 N ATOM 1475 CA LYS A 88 11.018 -6.004 5.440 1.00 25.43 C ATOM 1476 C LYS A 88 10.511 -5.157 4.241 1.00 30.43 C ATOM 1477 O LYS A 88 9.893 -5.701 3.333 1.00 72.22 O ATOM 1478 CB LYS A 88 9.868 -6.226 6.469 1.00 52.14 C ATOM 1479 CG LYS A 88 9.396 -4.944 7.204 1.00 11.33 C ATOM 1480 CD LYS A 88 8.288 -5.192 8.277 1.00 20.44 C ATOM 1481 CE LYS A 88 6.854 -5.286 7.699 1.00 60.22 C ATOM 1482 NZ LYS A 88 6.656 -6.402 6.743 1.00 12.13 N ATOM 0 H LYS A 88 12.056 -5.209 7.095 1.00 73.00 H new ATOM 0 HA LYS A 88 11.336 -6.966 5.039 1.00 25.43 H new ATOM 0 HB2 LYS A 88 9.016 -6.665 5.951 1.00 52.14 H new ATOM 0 HB3 LYS A 88 10.199 -6.952 7.211 1.00 52.14 H new ATOM 0 HG2 LYS A 88 10.255 -4.478 7.686 1.00 11.33 H new ATOM 0 HG3 LYS A 88 9.020 -4.234 6.467 1.00 11.33 H new ATOM 0 HD2 LYS A 88 8.514 -6.116 8.810 1.00 20.44 H new ATOM 0 HD3 LYS A 88 8.320 -4.385 9.009 1.00 20.44 H new ATOM 0 HE2 LYS A 88 6.149 -5.399 8.523 1.00 60.22 H new ATOM 0 HE3 LYS A 88 6.613 -4.348 7.200 1.00 60.22 H new ATOM 0 HZ1 LYS A 88 5.661 -6.704 6.763 1.00 12.13 H new ATOM 0 HZ2 LYS A 88 6.902 -6.085 5.784 1.00 12.13 H new ATOM 0 HZ3 LYS A 88 7.266 -7.201 7.011 1.00 12.13 H new ATOM 1496 N TRP A 89 10.760 -3.827 4.256 1.00 33.13 N ATOM 1497 CA TRP A 89 10.391 -2.922 3.129 1.00 34.11 C ATOM 1498 C TRP A 89 11.601 -2.466 2.297 1.00 34.35 C ATOM 1499 O TRP A 89 11.443 -2.105 1.131 1.00 72.01 O ATOM 1500 CB TRP A 89 9.605 -1.694 3.648 1.00 42.41 C ATOM 1501 CG TRP A 89 8.292 -2.070 4.280 1.00 32.03 C ATOM 1502 CD1 TRP A 89 7.931 -1.933 5.584 1.00 34.12 C ATOM 1503 CD2 TRP A 89 7.184 -2.690 3.618 1.00 31.52 C ATOM 1504 NE1 TRP A 89 6.673 -2.428 5.773 1.00 51.11 N ATOM 1505 CE2 TRP A 89 6.192 -2.899 4.582 1.00 74.10 C ATOM 1506 CE3 TRP A 89 6.936 -3.087 2.293 1.00 0.42 C ATOM 1507 CZ2 TRP A 89 4.980 -3.492 4.274 1.00 13.52 C ATOM 1508 CZ3 TRP A 89 5.731 -3.673 1.988 1.00 21.00 C ATOM 1509 CH2 TRP A 89 4.767 -3.874 2.976 1.00 13.50 C ATOM 0 H TRP A 89 11.215 -3.351 5.035 1.00 33.13 H new ATOM 0 HA TRP A 89 9.755 -3.506 2.464 1.00 34.11 H new ATOM 0 HB2 TRP A 89 10.214 -1.159 4.377 1.00 42.41 H new ATOM 0 HB3 TRP A 89 9.422 -1.008 2.821 1.00 42.41 H new ATOM 0 HD1 TRP A 89 8.548 -1.497 6.356 1.00 34.12 H new ATOM 0 HE1 TRP A 89 6.171 -2.444 6.661 1.00 51.11 H new ATOM 0 HE3 TRP A 89 7.681 -2.934 1.526 1.00 0.42 H new ATOM 0 HZ2 TRP A 89 4.227 -3.648 5.032 1.00 13.52 H new ATOM 0 HZ3 TRP A 89 5.528 -3.981 0.973 1.00 21.00 H new ATOM 0 HH2 TRP A 89 3.830 -4.342 2.711 1.00 13.50 H new ATOM 1520 N ALA A 90 12.801 -2.496 2.900 1.00 52.11 N ATOM 1521 CA ALA A 90 14.065 -2.059 2.251 1.00 40.41 C ATOM 1522 C ALA A 90 14.329 -2.793 0.906 1.00 5.14 C ATOM 1523 O ALA A 90 14.796 -2.199 -0.071 1.00 3.43 O ATOM 1524 CB ALA A 90 15.222 -2.302 3.224 1.00 43.32 C ATOM 0 H ALA A 90 12.930 -2.825 3.857 1.00 52.11 H new ATOM 0 HA ALA A 90 13.979 -0.999 2.014 1.00 40.41 H new ATOM 0 HB1 ALA A 90 16.158 -1.986 2.763 1.00 43.32 H new ATOM 0 HB2 ALA A 90 15.056 -1.730 4.137 1.00 43.32 H new ATOM 0 HB3 ALA A 90 15.277 -3.363 3.466 1.00 43.32 H new ATOM 1530 N ASN A 91 14.011 -4.096 0.891 1.00 30.05 N ATOM 1531 CA ASN A 91 14.179 -4.984 -0.298 1.00 13.54 C ATOM 1532 C ASN A 91 12.863 -5.193 -1.106 1.00 72.42 C ATOM 1533 O ASN A 91 12.868 -5.908 -2.114 1.00 25.22 O ATOM 1534 CB ASN A 91 14.744 -6.358 0.163 1.00 51.01 C ATOM 1535 CG ASN A 91 13.798 -7.210 1.041 1.00 51.11 C ATOM 1536 OD1 ASN A 91 12.916 -6.594 1.817 1.00 64.42 O flip ATOM 1537 ND2 ASN A 91 13.873 -8.435 1.030 1.00 42.51 N flip ATOM 0 H ASN A 91 13.626 -4.579 1.703 1.00 30.05 H new ATOM 0 HA ASN A 91 14.877 -4.487 -0.972 1.00 13.54 H new ATOM 0 HB2 ASN A 91 15.009 -6.937 -0.722 1.00 51.01 H new ATOM 0 HB3 ASN A 91 15.666 -6.184 0.717 1.00 51.01 H new ATOM 0 HD21 ASN A 91 14.555 -8.899 0.430 1.00 42.51 H new ATOM 0 HD22 ASN A 91 13.254 -8.989 1.621 1.00 42.51 H new ATOM 1544 N SER A 92 11.756 -4.563 -0.672 1.00 64.11 N ATOM 1545 CA SER A 92 10.406 -4.790 -1.260 1.00 74.11 C ATOM 1546 C SER A 92 10.226 -4.145 -2.649 1.00 52.31 C ATOM 1547 O SER A 92 10.635 -2.998 -2.877 1.00 21.44 O ATOM 1548 CB SER A 92 9.298 -4.257 -0.320 1.00 51.02 C ATOM 1549 OG SER A 92 9.168 -5.067 0.832 1.00 43.03 O ATOM 0 H SER A 92 11.762 -3.885 0.090 1.00 64.11 H new ATOM 0 HA SER A 92 10.319 -5.870 -1.379 1.00 74.11 H new ATOM 0 HB2 SER A 92 9.531 -3.234 -0.024 1.00 51.02 H new ATOM 0 HB3 SER A 92 8.349 -4.226 -0.854 1.00 51.02 H new ATOM 0 HG SER A 92 8.477 -4.694 1.418 1.00 43.03 H new ATOM 1555 N LYS A 93 9.581 -4.898 -3.558 1.00 40.22 N ATOM 1556 CA LYS A 93 9.137 -4.381 -4.870 1.00 21.41 C ATOM 1557 C LYS A 93 8.052 -3.301 -4.673 1.00 52.51 C ATOM 1558 O LYS A 93 8.150 -2.193 -5.208 1.00 52.44 O ATOM 1559 CB LYS A 93 8.576 -5.546 -5.741 1.00 51.20 C ATOM 1560 CG LYS A 93 9.516 -6.771 -5.969 1.00 3.42 C ATOM 1561 CD LYS A 93 10.667 -6.545 -7.003 1.00 34.52 C ATOM 1562 CE LYS A 93 11.837 -5.681 -6.480 1.00 61.13 C ATOM 1563 NZ LYS A 93 12.915 -5.518 -7.482 1.00 72.24 N ATOM 0 H LYS A 93 9.352 -5.880 -3.407 1.00 40.22 H new ATOM 0 HA LYS A 93 9.991 -3.936 -5.381 1.00 21.41 H new ATOM 0 HB2 LYS A 93 7.657 -5.905 -5.277 1.00 51.20 H new ATOM 0 HB3 LYS A 93 8.304 -5.141 -6.716 1.00 51.20 H new ATOM 0 HG2 LYS A 93 9.958 -7.052 -5.013 1.00 3.42 H new ATOM 0 HG3 LYS A 93 8.912 -7.615 -6.301 1.00 3.42 H new ATOM 0 HD2 LYS A 93 11.057 -7.515 -7.311 1.00 34.52 H new ATOM 0 HD3 LYS A 93 10.252 -6.072 -7.893 1.00 34.52 H new ATOM 0 HE2 LYS A 93 11.460 -4.699 -6.194 1.00 61.13 H new ATOM 0 HE3 LYS A 93 12.248 -6.139 -5.580 1.00 61.13 H new ATOM 0 HZ1 LYS A 93 13.675 -4.931 -7.082 1.00 72.24 H new ATOM 0 HZ2 LYS A 93 13.296 -6.451 -7.737 1.00 72.24 H new ATOM 0 HZ3 LYS A 93 12.532 -5.057 -8.332 1.00 72.24 H new ATOM 1577 N LEU A 94 7.055 -3.654 -3.834 1.00 1.31 N ATOM 1578 CA LEU A 94 5.872 -2.827 -3.523 1.00 43.44 C ATOM 1579 C LEU A 94 6.227 -1.406 -3.032 1.00 71.00 C ATOM 1580 O LEU A 94 5.587 -0.429 -3.430 1.00 71.24 O ATOM 1581 CB LEU A 94 5.037 -3.518 -2.423 1.00 63.35 C ATOM 1582 CG LEU A 94 3.694 -2.811 -2.059 1.00 75.43 C ATOM 1583 CD1 LEU A 94 2.615 -3.065 -3.131 1.00 53.01 C ATOM 1584 CD2 LEU A 94 3.221 -3.202 -0.654 1.00 14.30 C ATOM 0 H LEU A 94 7.052 -4.547 -3.341 1.00 1.31 H new ATOM 0 HA LEU A 94 5.315 -2.727 -4.454 1.00 43.44 H new ATOM 0 HB2 LEU A 94 4.817 -4.536 -2.743 1.00 63.35 H new ATOM 0 HB3 LEU A 94 5.645 -3.592 -1.521 1.00 63.35 H new ATOM 0 HG LEU A 94 3.876 -1.736 -2.044 1.00 75.43 H new ATOM 0 HD11 LEU A 94 1.693 -2.559 -2.846 1.00 53.01 H new ATOM 0 HD12 LEU A 94 2.959 -2.680 -4.091 1.00 53.01 H new ATOM 0 HD13 LEU A 94 2.430 -4.136 -3.214 1.00 53.01 H new ATOM 0 HD21 LEU A 94 2.283 -2.693 -0.431 1.00 14.30 H new ATOM 0 HD22 LEU A 94 3.068 -4.280 -0.609 1.00 14.30 H new ATOM 0 HD23 LEU A 94 3.975 -2.911 0.078 1.00 14.30 H new ATOM 1596 N LEU A 95 7.231 -1.316 -2.138 1.00 22.42 N ATOM 1597 CA LEU A 95 7.672 -0.029 -1.562 1.00 2.04 C ATOM 1598 C LEU A 95 8.159 0.952 -2.655 1.00 1.32 C ATOM 1599 O LEU A 95 7.816 2.131 -2.632 1.00 60.32 O ATOM 1600 CB LEU A 95 8.806 -0.237 -0.534 1.00 11.32 C ATOM 1601 CG LEU A 95 9.309 1.078 0.150 1.00 64.11 C ATOM 1602 CD1 LEU A 95 8.297 1.615 1.188 1.00 33.13 C ATOM 1603 CD2 LEU A 95 10.712 0.909 0.742 1.00 42.11 C ATOM 0 H LEU A 95 7.754 -2.123 -1.798 1.00 22.42 H new ATOM 0 HA LEU A 95 6.803 0.401 -1.063 1.00 2.04 H new ATOM 0 HB2 LEU A 95 8.458 -0.923 0.238 1.00 11.32 H new ATOM 0 HB3 LEU A 95 9.648 -0.718 -1.032 1.00 11.32 H new ATOM 0 HG LEU A 95 9.385 1.836 -0.630 1.00 64.11 H new ATOM 0 HD11 LEU A 95 8.687 2.528 1.638 1.00 33.13 H new ATOM 0 HD12 LEU A 95 7.349 1.830 0.695 1.00 33.13 H new ATOM 0 HD13 LEU A 95 8.140 0.866 1.965 1.00 33.13 H new ATOM 0 HD21 LEU A 95 11.025 1.843 1.208 1.00 42.11 H new ATOM 0 HD22 LEU A 95 10.698 0.117 1.491 1.00 42.11 H new ATOM 0 HD23 LEU A 95 11.412 0.646 -0.051 1.00 42.11 H new ATOM 1615 N LYS A 96 8.952 0.435 -3.607 1.00 41.04 N ATOM 1616 CA LYS A 96 9.511 1.248 -4.711 1.00 3.43 C ATOM 1617 C LYS A 96 8.411 1.659 -5.721 1.00 13.13 C ATOM 1618 O LYS A 96 8.493 2.726 -6.336 1.00 62.20 O ATOM 1619 CB LYS A 96 10.658 0.494 -5.421 1.00 25.24 C ATOM 1620 CG LYS A 96 11.813 0.038 -4.477 1.00 73.24 C ATOM 1621 CD LYS A 96 13.200 0.053 -5.169 1.00 4.12 C ATOM 1622 CE LYS A 96 13.650 1.482 -5.533 1.00 55.01 C ATOM 1623 NZ LYS A 96 14.955 1.512 -6.231 1.00 22.12 N ATOM 0 H LYS A 96 9.225 -0.547 -3.638 1.00 41.04 H new ATOM 0 HA LYS A 96 9.920 2.161 -4.278 1.00 3.43 H new ATOM 0 HB2 LYS A 96 10.245 -0.383 -5.920 1.00 25.24 H new ATOM 0 HB3 LYS A 96 11.073 1.137 -6.198 1.00 25.24 H new ATOM 0 HG2 LYS A 96 11.841 0.690 -3.604 1.00 73.24 H new ATOM 0 HG3 LYS A 96 11.604 -0.969 -4.116 1.00 73.24 H new ATOM 0 HD2 LYS A 96 13.939 -0.403 -4.510 1.00 4.12 H new ATOM 0 HD3 LYS A 96 13.161 -0.556 -6.072 1.00 4.12 H new ATOM 0 HE2 LYS A 96 12.894 1.946 -6.166 1.00 55.01 H new ATOM 0 HE3 LYS A 96 13.715 2.080 -4.624 1.00 55.01 H new ATOM 0 HZ1 LYS A 96 15.208 2.496 -6.451 1.00 22.12 H new ATOM 0 HZ2 LYS A 96 15.686 1.095 -5.619 1.00 22.12 H new ATOM 0 HZ3 LYS A 96 14.889 0.965 -7.113 1.00 22.12 H new ATOM 1637 N GLN A 97 7.381 0.793 -5.872 1.00 10.45 N ATOM 1638 CA GLN A 97 6.146 1.131 -6.627 1.00 4.33 C ATOM 1639 C GLN A 97 5.440 2.339 -5.965 1.00 51.51 C ATOM 1640 O GLN A 97 5.065 3.299 -6.631 1.00 24.31 O ATOM 1641 CB GLN A 97 5.153 -0.072 -6.667 1.00 65.42 C ATOM 1642 CG GLN A 97 5.726 -1.419 -7.158 1.00 41.14 C ATOM 1643 CD GLN A 97 6.277 -1.413 -8.587 1.00 72.30 C ATOM 1644 OE1 GLN A 97 5.816 -0.678 -9.453 1.00 73.34 O ATOM 1645 NE2 GLN A 97 7.260 -2.258 -8.846 1.00 74.20 N ATOM 0 H GLN A 97 7.379 -0.149 -5.480 1.00 10.45 H new ATOM 0 HA GLN A 97 6.440 1.375 -7.648 1.00 4.33 H new ATOM 0 HB2 GLN A 97 4.751 -0.217 -5.664 1.00 65.42 H new ATOM 0 HB3 GLN A 97 4.315 0.198 -7.310 1.00 65.42 H new ATOM 0 HG2 GLN A 97 6.523 -1.725 -6.480 1.00 41.14 H new ATOM 0 HG3 GLN A 97 4.943 -2.174 -7.091 1.00 41.14 H new ATOM 0 HE21 GLN A 97 7.625 -2.858 -8.106 1.00 74.20 H new ATOM 0 HE22 GLN A 97 7.654 -2.310 -9.786 1.00 74.20 H new ATOM 1654 N LEU A 98 5.314 2.259 -4.623 1.00 61.04 N ATOM 1655 CA LEU A 98 4.599 3.249 -3.782 1.00 51.52 C ATOM 1656 C LEU A 98 5.331 4.613 -3.733 1.00 33.31 C ATOM 1657 O LEU A 98 4.689 5.657 -3.747 1.00 43.11 O ATOM 1658 CB LEU A 98 4.420 2.669 -2.346 1.00 70.45 C ATOM 1659 CG LEU A 98 3.557 3.514 -1.352 1.00 62.43 C ATOM 1660 CD1 LEU A 98 2.114 3.691 -1.875 1.00 4.02 C ATOM 1661 CD2 LEU A 98 3.573 2.900 0.071 1.00 31.12 C ATOM 0 H LEU A 98 5.713 1.492 -4.082 1.00 61.04 H new ATOM 0 HA LEU A 98 3.623 3.434 -4.230 1.00 51.52 H new ATOM 0 HB2 LEU A 98 3.970 1.680 -2.432 1.00 70.45 H new ATOM 0 HB3 LEU A 98 5.409 2.533 -1.908 1.00 70.45 H new ATOM 0 HG LEU A 98 4.006 4.505 -1.285 1.00 62.43 H new ATOM 0 HD11 LEU A 98 1.539 4.282 -1.163 1.00 4.02 H new ATOM 0 HD12 LEU A 98 2.136 4.203 -2.837 1.00 4.02 H new ATOM 0 HD13 LEU A 98 1.648 2.713 -1.995 1.00 4.02 H new ATOM 0 HD21 LEU A 98 2.964 3.511 0.738 1.00 31.12 H new ATOM 0 HD22 LEU A 98 3.169 1.888 0.035 1.00 31.12 H new ATOM 0 HD23 LEU A 98 4.597 2.869 0.442 1.00 31.12 H new ATOM 1673 N GLN A 99 6.676 4.578 -3.671 1.00 63.11 N ATOM 1674 CA GLN A 99 7.531 5.797 -3.648 1.00 11.20 C ATOM 1675 C GLN A 99 7.469 6.581 -4.976 1.00 13.10 C ATOM 1676 O GLN A 99 7.213 7.794 -4.987 1.00 42.02 O ATOM 1677 CB GLN A 99 9.005 5.412 -3.326 1.00 32.33 C ATOM 1678 CG GLN A 99 9.261 5.085 -1.841 1.00 73.41 C ATOM 1679 CD GLN A 99 10.698 4.660 -1.531 1.00 74.54 C ATOM 1680 OE1 GLN A 99 11.633 4.982 -2.256 1.00 63.12 O ATOM 1681 NE2 GLN A 99 10.898 4.009 -0.407 1.00 65.32 N ATOM 0 H GLN A 99 7.207 3.708 -3.635 1.00 63.11 H new ATOM 0 HA GLN A 99 7.143 6.449 -2.866 1.00 11.20 H new ATOM 0 HB2 GLN A 99 9.284 4.549 -3.930 1.00 32.33 H new ATOM 0 HB3 GLN A 99 9.657 6.233 -3.624 1.00 32.33 H new ATOM 0 HG2 GLN A 99 9.015 5.961 -1.240 1.00 73.41 H new ATOM 0 HG3 GLN A 99 8.584 4.288 -1.534 1.00 73.41 H new ATOM 0 HE21 GLN A 99 10.105 3.751 0.181 1.00 65.32 H new ATOM 0 HE22 GLN A 99 11.846 3.762 -0.123 1.00 65.32 H new ATOM 1690 N GLU A 100 7.679 5.868 -6.093 1.00 22.10 N ATOM 1691 CA GLU A 100 7.683 6.477 -7.441 1.00 54.35 C ATOM 1692 C GLU A 100 6.255 6.877 -7.889 1.00 64.21 C ATOM 1693 O GLU A 100 6.089 7.781 -8.718 1.00 3.25 O ATOM 1694 CB GLU A 100 8.379 5.526 -8.453 1.00 33.14 C ATOM 1695 CG GLU A 100 9.853 5.231 -8.088 1.00 64.43 C ATOM 1696 CD GLU A 100 10.610 4.405 -9.142 1.00 52.10 C ATOM 1697 OE1 GLU A 100 10.601 3.158 -9.065 1.00 3.03 O ATOM 1698 OE2 GLU A 100 11.228 5.003 -10.057 1.00 24.10 O ATOM 0 H GLU A 100 7.850 4.862 -6.093 1.00 22.10 H new ATOM 0 HA GLU A 100 8.259 7.402 -7.406 1.00 54.35 H new ATOM 0 HB2 GLU A 100 7.827 4.587 -8.500 1.00 33.14 H new ATOM 0 HB3 GLU A 100 8.338 5.970 -9.448 1.00 33.14 H new ATOM 0 HG2 GLU A 100 10.375 6.176 -7.940 1.00 64.43 H new ATOM 0 HG3 GLU A 100 9.881 4.699 -7.137 1.00 64.43 H new ATOM 1705 N PHE A 101 5.229 6.213 -7.311 1.00 32.03 N ATOM 1706 CA PHE A 101 3.821 6.632 -7.457 1.00 23.34 C ATOM 1707 C PHE A 101 3.517 7.895 -6.609 1.00 64.24 C ATOM 1708 O PHE A 101 2.906 8.826 -7.109 1.00 25.02 O ATOM 1709 CB PHE A 101 2.858 5.479 -7.070 1.00 63.52 C ATOM 1710 CG PHE A 101 1.377 5.836 -7.210 1.00 34.32 C ATOM 1711 CD1 PHE A 101 0.809 6.018 -8.469 1.00 70.53 C ATOM 1712 CD2 PHE A 101 0.565 6.025 -6.087 1.00 55.43 C ATOM 1713 CE1 PHE A 101 -0.518 6.368 -8.602 1.00 73.34 C ATOM 1714 CE2 PHE A 101 -0.762 6.379 -6.225 1.00 24.43 C ATOM 1715 CZ PHE A 101 -1.304 6.549 -7.484 1.00 3.21 C ATOM 0 H PHE A 101 5.354 5.380 -6.736 1.00 32.03 H new ATOM 0 HA PHE A 101 3.660 6.882 -8.506 1.00 23.34 H new ATOM 0 HB2 PHE A 101 3.074 4.613 -7.696 1.00 63.52 H new ATOM 0 HB3 PHE A 101 3.055 5.185 -6.039 1.00 63.52 H new ATOM 0 HD1 PHE A 101 1.416 5.883 -9.352 1.00 70.53 H new ATOM 0 HD2 PHE A 101 0.982 5.892 -5.099 1.00 55.43 H new ATOM 0 HE1 PHE A 101 -0.943 6.501 -9.586 1.00 73.34 H new ATOM 0 HE2 PHE A 101 -1.376 6.523 -5.349 1.00 24.43 H new ATOM 0 HZ PHE A 101 -2.343 6.824 -7.593 1.00 3.21 H new ATOM 1725 N SER A 102 3.959 7.904 -5.335 1.00 70.32 N ATOM 1726 CA SER A 102 3.631 8.980 -4.349 1.00 22.31 C ATOM 1727 C SER A 102 4.062 10.376 -4.840 1.00 2.32 C ATOM 1728 O SER A 102 3.263 11.324 -4.860 1.00 21.13 O ATOM 1729 CB SER A 102 4.316 8.691 -2.988 1.00 4.40 C ATOM 1730 OG SER A 102 4.010 9.682 -2.015 1.00 62.42 O ATOM 0 H SER A 102 4.554 7.170 -4.951 1.00 70.32 H new ATOM 0 HA SER A 102 2.547 8.980 -4.234 1.00 22.31 H new ATOM 0 HB2 SER A 102 3.998 7.714 -2.623 1.00 4.40 H new ATOM 0 HB3 SER A 102 5.396 8.643 -3.129 1.00 4.40 H new ATOM 0 HG SER A 102 4.459 9.463 -1.172 1.00 62.42 H new ATOM 1736 N GLU A 103 5.335 10.461 -5.258 1.00 62.14 N ATOM 1737 CA GLU A 103 5.961 11.718 -5.721 1.00 43.42 C ATOM 1738 C GLU A 103 5.403 12.202 -7.086 1.00 43.20 C ATOM 1739 O GLU A 103 5.539 13.373 -7.425 1.00 62.43 O ATOM 1740 CB GLU A 103 7.496 11.531 -5.821 1.00 3.31 C ATOM 1741 CG GLU A 103 8.168 11.074 -4.512 1.00 51.52 C ATOM 1742 CD GLU A 103 9.698 11.000 -4.630 1.00 32.43 C ATOM 1743 OE1 GLU A 103 10.228 9.961 -5.084 1.00 22.51 O ATOM 1744 OE2 GLU A 103 10.381 11.997 -4.298 1.00 1.23 O ATOM 0 H GLU A 103 5.965 9.659 -5.286 1.00 62.14 H new ATOM 0 HA GLU A 103 5.719 12.486 -4.986 1.00 43.42 H new ATOM 0 HB2 GLU A 103 7.711 10.799 -6.600 1.00 3.31 H new ATOM 0 HB3 GLU A 103 7.945 12.473 -6.136 1.00 3.31 H new ATOM 0 HG2 GLU A 103 7.902 11.763 -3.711 1.00 51.52 H new ATOM 0 HG3 GLU A 103 7.781 10.094 -4.231 1.00 51.52 H new ATOM 1751 N ASN A 104 4.830 11.276 -7.880 1.00 74.33 N ATOM 1752 CA ASN A 104 4.304 11.571 -9.245 1.00 31.35 C ATOM 1753 C ASN A 104 2.792 11.269 -9.394 1.00 15.40 C ATOM 1754 O ASN A 104 2.298 11.173 -10.520 1.00 41.24 O ATOM 1755 CB ASN A 104 5.133 10.769 -10.281 1.00 23.23 C ATOM 1756 CG ASN A 104 6.621 11.127 -10.225 1.00 20.52 C ATOM 1757 OD1 ASN A 104 7.078 12.030 -10.912 1.00 32.43 O ATOM 1758 ND2 ASN A 104 7.381 10.443 -9.388 1.00 63.21 N ATOM 0 H ASN A 104 4.715 10.301 -7.602 1.00 74.33 H new ATOM 0 HA ASN A 104 4.409 12.641 -9.422 1.00 31.35 H new ATOM 0 HB2 ASN A 104 5.010 9.702 -10.096 1.00 23.23 H new ATOM 0 HB3 ASN A 104 4.750 10.966 -11.282 1.00 23.23 H new ATOM 0 HD21 ASN A 104 8.373 10.664 -9.304 1.00 63.21 H new ATOM 0 HD22 ASN A 104 6.975 9.695 -8.826 1.00 63.21 H new ATOM 1765 N LYS A 105 2.065 11.179 -8.260 1.00 34.03 N ATOM 1766 CA LYS A 105 0.672 10.715 -8.196 1.00 12.53 C ATOM 1767 C LYS A 105 -0.290 11.493 -9.134 1.00 13.35 C ATOM 1768 O LYS A 105 -0.796 10.947 -10.120 1.00 53.25 O ATOM 1769 CB LYS A 105 0.186 10.832 -6.727 1.00 32.31 C ATOM 1770 CG LYS A 105 -1.086 10.030 -6.451 1.00 62.41 C ATOM 1771 CD LYS A 105 -1.862 10.474 -5.194 1.00 14.23 C ATOM 1772 CE LYS A 105 -1.017 10.509 -3.913 1.00 1.32 C ATOM 1773 NZ LYS A 105 -1.834 10.937 -2.754 1.00 4.44 N ATOM 0 H LYS A 105 2.442 11.433 -7.347 1.00 34.03 H new ATOM 0 HA LYS A 105 0.655 9.682 -8.542 1.00 12.53 H new ATOM 0 HB2 LYS A 105 0.977 10.488 -6.060 1.00 32.31 H new ATOM 0 HB3 LYS A 105 0.005 11.881 -6.493 1.00 32.31 H new ATOM 0 HG2 LYS A 105 -1.745 10.109 -7.316 1.00 62.41 H new ATOM 0 HG3 LYS A 105 -0.821 8.978 -6.346 1.00 62.41 H new ATOM 0 HD2 LYS A 105 -2.278 11.466 -5.369 1.00 14.23 H new ATOM 0 HD3 LYS A 105 -2.704 9.798 -5.042 1.00 14.23 H new ATOM 0 HE2 LYS A 105 -0.597 9.521 -3.722 1.00 1.32 H new ATOM 0 HE3 LYS A 105 -0.178 11.192 -4.044 1.00 1.32 H new ATOM 0 HZ1 LYS A 105 -1.434 10.538 -1.881 1.00 4.44 H new ATOM 0 HZ2 LYS A 105 -1.833 11.975 -2.693 1.00 4.44 H new ATOM 0 HZ3 LYS A 105 -2.810 10.599 -2.873 1.00 4.44 H new ATOM 1787 N GLU A 106 -0.523 12.776 -8.805 1.00 53.40 N ATOM 1788 CA GLU A 106 -1.419 13.670 -9.579 1.00 32.33 C ATOM 1789 C GLU A 106 -0.585 14.621 -10.464 1.00 22.33 C ATOM 1790 O GLU A 106 -1.069 15.657 -10.928 1.00 20.53 O ATOM 1791 CB GLU A 106 -2.317 14.480 -8.597 1.00 4.33 C ATOM 1792 CG GLU A 106 -3.161 13.615 -7.638 1.00 72.13 C ATOM 1793 CD GLU A 106 -4.068 14.450 -6.719 1.00 70.55 C ATOM 1794 OE1 GLU A 106 -3.580 14.973 -5.694 1.00 34.23 O ATOM 1795 OE2 GLU A 106 -5.276 14.589 -7.017 1.00 30.11 O ATOM 0 H GLU A 106 -0.098 13.228 -7.995 1.00 53.40 H new ATOM 0 HA GLU A 106 -2.057 13.071 -10.229 1.00 32.33 H new ATOM 0 HB2 GLU A 106 -1.683 15.141 -8.006 1.00 4.33 H new ATOM 0 HB3 GLU A 106 -2.986 15.115 -9.177 1.00 4.33 H new ATOM 0 HG2 GLU A 106 -3.776 12.930 -8.221 1.00 72.13 H new ATOM 0 HG3 GLU A 106 -2.496 13.005 -7.027 1.00 72.13 H new ATOM 1802 N LYS A 107 0.678 14.228 -10.714 1.00 52.12 N ATOM 1803 CA LYS A 107 1.694 15.085 -11.367 1.00 22.13 C ATOM 1804 C LYS A 107 2.083 14.516 -12.752 1.00 14.24 C ATOM 1805 O LYS A 107 3.178 14.777 -13.266 1.00 31.31 O ATOM 1806 CB LYS A 107 2.927 15.198 -10.425 1.00 43.15 C ATOM 1807 CG LYS A 107 2.551 15.469 -8.949 1.00 21.52 C ATOM 1808 CD LYS A 107 3.761 15.811 -8.059 1.00 32.45 C ATOM 1809 CE LYS A 107 4.297 17.231 -8.288 1.00 21.40 C ATOM 1810 NZ LYS A 107 3.284 18.254 -7.938 1.00 24.14 N ATOM 0 H LYS A 107 1.028 13.302 -10.468 1.00 52.12 H new ATOM 0 HA LYS A 107 1.286 16.081 -11.539 1.00 22.13 H new ATOM 0 HB2 LYS A 107 3.504 14.275 -10.481 1.00 43.15 H new ATOM 0 HB3 LYS A 107 3.574 16.000 -10.780 1.00 43.15 H new ATOM 0 HG2 LYS A 107 1.837 16.292 -8.909 1.00 21.52 H new ATOM 0 HG3 LYS A 107 2.048 14.591 -8.543 1.00 21.52 H new ATOM 0 HD2 LYS A 107 3.477 15.701 -7.012 1.00 32.45 H new ATOM 0 HD3 LYS A 107 4.559 15.093 -8.250 1.00 32.45 H new ATOM 0 HE2 LYS A 107 5.194 17.384 -7.688 1.00 21.40 H new ATOM 0 HE3 LYS A 107 4.589 17.348 -9.332 1.00 21.40 H new ATOM 0 HZ1 LYS A 107 3.748 19.178 -7.824 1.00 24.14 H new ATOM 0 HZ2 LYS A 107 2.575 18.314 -8.696 1.00 24.14 H new ATOM 0 HZ3 LYS A 107 2.817 17.989 -7.047 1.00 24.14 H new ATOM 1824 N GLU A 108 1.146 13.760 -13.358 1.00 55.43 N ATOM 1825 CA GLU A 108 1.334 13.118 -14.673 1.00 73.50 C ATOM 1826 C GLU A 108 1.329 14.153 -15.830 1.00 54.51 C ATOM 1827 O GLU A 108 0.447 15.023 -15.914 1.00 74.24 O ATOM 1828 CB GLU A 108 0.243 12.038 -14.904 1.00 72.31 C ATOM 1829 CG GLU A 108 -1.219 12.537 -14.800 1.00 12.22 C ATOM 1830 CD GLU A 108 -2.246 11.471 -15.220 1.00 11.40 C ATOM 1831 OE1 GLU A 108 -2.604 10.612 -14.385 1.00 62.24 O ATOM 1832 OE2 GLU A 108 -2.681 11.473 -16.396 1.00 41.33 O ATOM 0 H GLU A 108 0.231 13.577 -12.945 1.00 55.43 H new ATOM 0 HA GLU A 108 2.314 12.640 -14.670 1.00 73.50 H new ATOM 0 HB2 GLU A 108 0.391 11.602 -15.892 1.00 72.31 H new ATOM 0 HB3 GLU A 108 0.388 11.238 -14.178 1.00 72.31 H new ATOM 0 HG2 GLU A 108 -1.421 12.844 -13.774 1.00 12.22 H new ATOM 0 HG3 GLU A 108 -1.342 13.420 -15.427 1.00 12.22 H new ATOM 1839 N ILE A 109 2.340 14.051 -16.706 1.00 32.34 N ATOM 1840 CA ILE A 109 2.516 14.939 -17.884 1.00 34.14 C ATOM 1841 C ILE A 109 2.584 14.106 -19.178 1.00 24.52 C ATOM 1842 O ILE A 109 3.104 12.982 -19.197 1.00 35.05 O ATOM 1843 CB ILE A 109 3.814 15.833 -17.738 1.00 61.10 C ATOM 1844 CG1 ILE A 109 3.726 16.733 -16.454 1.00 31.33 C ATOM 1845 CG2 ILE A 109 4.057 16.693 -19.010 1.00 13.25 C ATOM 1846 CD1 ILE A 109 4.970 17.560 -16.161 1.00 4.23 C ATOM 0 H ILE A 109 3.071 13.344 -16.623 1.00 32.34 H new ATOM 0 HA ILE A 109 1.653 15.603 -17.936 1.00 34.14 H new ATOM 0 HB ILE A 109 4.669 15.166 -17.628 1.00 61.10 H new ATOM 0 HG12 ILE A 109 2.876 17.407 -16.559 1.00 31.33 H new ATOM 0 HG13 ILE A 109 3.522 16.095 -15.594 1.00 31.33 H new ATOM 0 HG21 ILE A 109 4.956 17.295 -18.876 1.00 13.25 H new ATOM 0 HG22 ILE A 109 4.183 16.039 -19.873 1.00 13.25 H new ATOM 0 HG23 ILE A 109 3.202 17.349 -19.174 1.00 13.25 H new ATOM 0 HD11 ILE A 109 4.812 18.147 -15.256 1.00 4.23 H new ATOM 0 HD12 ILE A 109 5.823 16.896 -16.019 1.00 4.23 H new ATOM 0 HD13 ILE A 109 5.167 18.230 -16.998 1.00 4.23 H new TER 1858 ILE A 109