USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 987 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 120 LYS NZ :NH3+ 179:sc= 0.487 (180deg=0) USER MOD Set 1.2: A 123 SER OG : rot 180:sc= 0.445 USER MOD Set 2.1: A 51 GLN : amide:sc= 0.317 K(o=3.8,f=-0.15) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 176:sc= 1.24 (180deg=0) USER MOD Set 2.3: A 99 THR OG1 : rot 72:sc= 2.28 USER MOD Set 3.1: A 74 GLN : amide:sc= -0.0579 X(o=-1.4,f=-1.3) USER MOD Set 3.2: A 77 MET CE :methyl -179:sc= -1.29 (180deg=-1.29) USER MOD Set 4.1: A 40 SER OG : rot 145:sc= 0.547 USER MOD Set 4.2: A 45 SER OG : rot -170:sc= 0.547 USER MOD Set 4.3: A 47 HIS : no HE2:sc= 0.0212 K(o=1.1,f=-0.66) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.262 (180deg=-0.871) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0758 X(o=-0.076,f=-0.076) USER MOD Single : A 5 HIS : no HD1:sc=-0.00556 X(o=-0.0056,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0.048) USER MOD Single : A 7 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.3) USER MOD Single : A 8 HIS : no HE2:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=-0.088) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.52 F(o=-3.2!,f=-0.52) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= -0.0235 (180deg=-0.423) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.51 USER MOD Single : A 29 SER OG : rot -33:sc= 0.397 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.88 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.39) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= 1.15 (180deg=-0.495) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.0104 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= -0.429 (180deg=-2.36!) USER MOD Single : A 65 HIS : no HE2:sc= -0.178 K(o=-0.18,f=-0.84) USER MOD Single : A 66 ASN : amide:sc= -0.447 K(o=-0.45,f=-5.2!) USER MOD Single : A 67 ASN : amide:sc= -0.484 K(o=-0.48,f=-0.99) USER MOD Single : A 68 MET CE :methyl -160:sc= -0.71 (180deg=-1.51) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.0576 X(o=0.058,f=-0.027) USER MOD Single : A 78 TYR OH : rot 165:sc= 0.207 USER MOD Single : A 85 HIS : no HD1:sc= 0.178 K(o=0.18,f=-1.5) USER MOD Single : A 88 GLN : amide:sc= -1.65 K(o=-1.6,f=-7.6!) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0.99) USER MOD Single : A 102 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.93) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.472 F(o=-1.1,f=-0.47) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.086 K(o=-0.086,f=-8.9!) USER MOD Single : A 112 GLN : amide:sc= 0.328 K(o=0.33,f=-2.9!) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.122 F(o=-3!,f=-0.12) USER MOD Single : A 118 LYS NZ :NH3+ -108:sc= 1.23 (180deg=0.041) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 35:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.850 1.969 20.112 1.00 43.21 N ATOM 2 CA MET A 1 26.510 2.859 18.971 1.00 73.44 C ATOM 3 C MET A 1 25.703 2.081 17.925 1.00 4.21 C ATOM 4 O MET A 1 26.190 1.072 17.404 1.00 74.13 O ATOM 5 CB MET A 1 27.792 3.440 18.316 1.00 53.40 C ATOM 6 CG MET A 1 28.583 4.402 19.206 1.00 31.33 C ATOM 7 SD MET A 1 29.968 5.177 18.346 1.00 11.51 S ATOM 8 CE MET A 1 29.131 6.026 17.003 1.00 72.42 C ATOM 0 H1 MET A 1 27.397 2.503 20.817 1.00 43.21 H new ATOM 0 H2 MET A 1 25.975 1.614 20.548 1.00 43.21 H new ATOM 0 H3 MET A 1 27.416 1.167 19.770 1.00 43.21 H new ATOM 0 HA MET A 1 25.912 3.687 19.352 1.00 73.44 H new ATOM 0 HB2 MET A 1 28.443 2.615 18.028 1.00 53.40 H new ATOM 0 HB3 MET A 1 27.512 3.960 17.400 1.00 53.40 H new ATOM 0 HG2 MET A 1 27.914 5.177 19.579 1.00 31.33 H new ATOM 0 HG3 MET A 1 28.958 3.860 20.074 1.00 31.33 H new ATOM 0 HE1 MET A 1 29.776 6.813 16.612 1.00 72.42 H new ATOM 0 HE2 MET A 1 28.903 5.315 16.209 1.00 72.42 H new ATOM 0 HE3 MET A 1 28.205 6.466 17.372 1.00 72.42 H new ATOM 20 N GLY A 2 24.482 2.572 17.614 1.00 53.34 N ATOM 21 CA GLY A 2 23.566 1.897 16.687 1.00 73.31 C ATOM 22 C GLY A 2 23.044 0.582 17.252 1.00 65.22 C ATOM 23 O GLY A 2 22.839 0.467 18.466 1.00 73.13 O ATOM 0 H GLY A 2 24.113 3.441 17.999 1.00 53.34 H new ATOM 0 HA2 GLY A 2 22.726 2.555 16.465 1.00 73.31 H new ATOM 0 HA3 GLY A 2 24.080 1.708 15.744 1.00 73.31 H new ATOM 27 N HIS A 3 22.800 -0.401 16.374 1.00 1.31 N ATOM 28 CA HIS A 3 22.423 -1.772 16.766 1.00 64.02 C ATOM 29 C HIS A 3 23.317 -2.745 15.992 1.00 3.12 C ATOM 30 O HIS A 3 23.429 -2.627 14.762 1.00 61.15 O ATOM 31 CB HIS A 3 20.927 -2.054 16.452 1.00 55.14 C ATOM 32 CG HIS A 3 19.962 -1.067 17.069 1.00 34.01 C ATOM 33 ND1 HIS A 3 19.288 -0.115 16.336 1.00 55.12 N ATOM 34 CD2 HIS A 3 19.591 -0.870 18.357 1.00 71.31 C ATOM 35 CE1 HIS A 3 18.549 0.618 17.141 1.00 72.02 C ATOM 36 NE2 HIS A 3 18.713 0.187 18.374 1.00 1.12 N ATOM 0 H HIS A 3 22.858 -0.269 15.364 1.00 1.31 H new ATOM 0 HA HIS A 3 22.559 -1.896 17.840 1.00 64.02 H new ATOM 0 HB2 HIS A 3 20.789 -2.051 15.371 1.00 55.14 H new ATOM 0 HB3 HIS A 3 20.677 -3.055 16.803 1.00 55.14 H new ATOM 0 HD2 HIS A 3 19.924 -1.439 19.213 1.00 71.31 H new ATOM 0 HE1 HIS A 3 17.913 1.437 16.840 1.00 72.02 H new ATOM 0 HE2 HIS A 3 18.263 0.573 19.204 1.00 1.12 H new ATOM 45 N HIS A 4 23.962 -3.687 16.716 1.00 73.20 N ATOM 46 CA HIS A 4 24.886 -4.670 16.116 1.00 2.35 C ATOM 47 C HIS A 4 24.127 -5.577 15.128 1.00 4.41 C ATOM 48 O HIS A 4 23.217 -6.320 15.516 1.00 32.11 O ATOM 49 CB HIS A 4 25.636 -5.501 17.205 1.00 54.12 C ATOM 50 CG HIS A 4 24.766 -6.385 18.064 1.00 2.23 C ATOM 51 ND1 HIS A 4 24.680 -7.748 17.887 1.00 55.20 N ATOM 52 CD2 HIS A 4 23.968 -6.098 19.121 1.00 43.01 C ATOM 53 CE1 HIS A 4 23.862 -8.252 18.783 1.00 74.21 C ATOM 54 NE2 HIS A 4 23.414 -7.277 19.541 1.00 23.13 N ATOM 0 H HIS A 4 23.856 -3.785 17.726 1.00 73.20 H new ATOM 0 HA HIS A 4 25.650 -4.125 15.562 1.00 2.35 H new ATOM 0 HB2 HIS A 4 26.381 -6.125 16.711 1.00 54.12 H new ATOM 0 HB3 HIS A 4 26.176 -4.812 17.854 1.00 54.12 H new ATOM 0 HD2 HIS A 4 23.801 -5.122 19.551 1.00 43.01 H new ATOM 0 HE1 HIS A 4 23.601 -9.295 18.880 1.00 74.21 H new ATOM 0 HE2 HIS A 4 22.760 -7.382 20.316 1.00 23.13 H new ATOM 63 N HIS A 5 24.481 -5.456 13.840 1.00 71.53 N ATOM 64 CA HIS A 5 23.781 -6.143 12.739 1.00 75.43 C ATOM 65 C HIS A 5 24.171 -7.630 12.680 1.00 74.14 C ATOM 66 O HIS A 5 25.356 -7.976 12.725 1.00 42.14 O ATOM 67 CB HIS A 5 24.053 -5.417 11.393 1.00 40.14 C ATOM 68 CG HIS A 5 23.401 -4.058 11.289 1.00 41.42 C ATOM 69 ND1 HIS A 5 23.876 -3.053 10.472 1.00 50.22 N ATOM 70 CD2 HIS A 5 22.275 -3.566 11.859 1.00 71.10 C ATOM 71 CE1 HIS A 5 23.073 -2.016 10.541 1.00 32.21 C ATOM 72 NE2 HIS A 5 22.095 -2.302 11.372 1.00 12.34 N ATOM 0 H HIS A 5 25.262 -4.878 13.530 1.00 71.53 H new ATOM 0 HA HIS A 5 22.708 -6.103 12.927 1.00 75.43 H new ATOM 0 HB2 HIS A 5 25.129 -5.304 11.263 1.00 40.14 H new ATOM 0 HB3 HIS A 5 23.697 -6.044 10.575 1.00 40.14 H new ATOM 0 HD2 HIS A 5 21.639 -4.077 12.566 1.00 71.10 H new ATOM 0 HE1 HIS A 5 23.195 -1.086 10.006 1.00 32.21 H new ATOM 0 HE2 HIS A 5 21.324 -1.679 11.615 1.00 12.34 H new ATOM 81 N HIS A 6 23.146 -8.496 12.594 1.00 41.54 N ATOM 82 CA HIS A 6 23.299 -9.962 12.633 1.00 44.33 C ATOM 83 C HIS A 6 22.199 -10.624 11.773 1.00 5.40 C ATOM 84 O HIS A 6 21.042 -10.170 11.798 1.00 70.11 O ATOM 85 CB HIS A 6 23.229 -10.476 14.110 1.00 31.43 C ATOM 86 CG HIS A 6 21.932 -10.148 14.821 1.00 34.41 C ATOM 87 ND1 HIS A 6 20.817 -10.963 14.776 1.00 2.20 N ATOM 88 CD2 HIS A 6 21.565 -9.070 15.561 1.00 2.33 C ATOM 89 CE1 HIS A 6 19.833 -10.401 15.452 1.00 71.02 C ATOM 90 NE2 HIS A 6 20.259 -9.252 15.934 1.00 34.30 N ATOM 0 H HIS A 6 22.177 -8.195 12.494 1.00 41.54 H new ATOM 0 HA HIS A 6 24.273 -10.231 12.225 1.00 44.33 H new ATOM 0 HB2 HIS A 6 23.369 -11.557 14.114 1.00 31.43 H new ATOM 0 HB3 HIS A 6 24.058 -10.045 14.672 1.00 31.43 H new ATOM 0 HD2 HIS A 6 22.188 -8.224 15.810 1.00 2.33 H new ATOM 0 HE1 HIS A 6 18.844 -10.814 15.587 1.00 71.02 H new ATOM 0 HE2 HIS A 6 19.707 -8.603 16.494 1.00 34.30 H new ATOM 99 N HIS A 7 22.590 -11.671 11.010 1.00 65.12 N ATOM 100 CA HIS A 7 21.669 -12.544 10.253 1.00 75.23 C ATOM 101 C HIS A 7 20.913 -11.753 9.154 1.00 13.00 C ATOM 102 O HIS A 7 19.813 -11.250 9.375 1.00 15.31 O ATOM 103 CB HIS A 7 20.697 -13.279 11.238 1.00 23.10 C ATOM 104 CG HIS A 7 19.645 -14.158 10.604 1.00 12.10 C ATOM 105 ND1 HIS A 7 18.293 -13.895 10.704 1.00 64.30 N ATOM 106 CD2 HIS A 7 19.745 -15.303 9.885 1.00 44.24 C ATOM 107 CE1 HIS A 7 17.613 -14.834 10.080 1.00 3.43 C ATOM 108 NE2 HIS A 7 18.467 -15.696 9.574 1.00 52.33 N ATOM 0 H HIS A 7 23.569 -11.935 10.903 1.00 65.12 H new ATOM 0 HA HIS A 7 22.252 -13.304 9.733 1.00 75.23 H new ATOM 0 HB2 HIS A 7 21.293 -13.892 11.914 1.00 23.10 H new ATOM 0 HB3 HIS A 7 20.194 -12.528 11.847 1.00 23.10 H new ATOM 0 HD2 HIS A 7 20.658 -15.810 9.609 1.00 44.24 H new ATOM 0 HE1 HIS A 7 16.537 -14.887 9.998 1.00 3.43 H new ATOM 0 HE2 HIS A 7 18.219 -16.526 9.035 1.00 52.33 H new ATOM 117 N HIS A 8 21.563 -11.586 7.993 1.00 11.43 N ATOM 118 CA HIS A 8 20.947 -10.973 6.792 1.00 61.32 C ATOM 119 C HIS A 8 20.321 -12.080 5.927 1.00 61.22 C ATOM 120 O HIS A 8 21.042 -12.839 5.274 1.00 15.04 O ATOM 121 CB HIS A 8 22.014 -10.184 5.977 1.00 53.12 C ATOM 122 CG HIS A 8 22.392 -8.845 6.566 1.00 41.22 C ATOM 123 ND1 HIS A 8 22.316 -7.662 5.856 1.00 31.10 N ATOM 124 CD2 HIS A 8 22.854 -8.506 7.794 1.00 61.44 C ATOM 125 CE1 HIS A 8 22.707 -6.666 6.616 1.00 2.10 C ATOM 126 NE2 HIS A 8 23.034 -7.145 7.799 1.00 45.41 N ATOM 0 H HIS A 8 22.533 -11.870 7.853 1.00 11.43 H new ATOM 0 HA HIS A 8 20.171 -10.272 7.100 1.00 61.32 H new ATOM 0 HB2 HIS A 8 22.912 -10.795 5.892 1.00 53.12 H new ATOM 0 HB3 HIS A 8 21.638 -10.028 4.966 1.00 53.12 H new ATOM 0 HD1 HIS A 8 22.004 -7.576 4.889 1.00 31.10 H new ATOM 0 HD2 HIS A 8 23.045 -9.181 8.615 1.00 61.44 H new ATOM 0 HE1 HIS A 8 22.753 -5.628 6.321 1.00 2.10 H new ATOM 135 N SER A 9 18.984 -12.192 5.959 1.00 35.42 N ATOM 136 CA SER A 9 18.254 -13.238 5.220 1.00 73.52 C ATOM 137 C SER A 9 18.034 -12.805 3.755 1.00 62.33 C ATOM 138 O SER A 9 17.064 -12.111 3.433 1.00 12.14 O ATOM 139 CB SER A 9 16.910 -13.559 5.910 1.00 64.32 C ATOM 140 OG SER A 9 16.250 -14.641 5.269 1.00 33.20 O ATOM 0 H SER A 9 18.381 -11.566 6.493 1.00 35.42 H new ATOM 0 HA SER A 9 18.855 -14.147 5.221 1.00 73.52 H new ATOM 0 HB2 SER A 9 17.085 -13.805 6.957 1.00 64.32 H new ATOM 0 HB3 SER A 9 16.270 -12.677 5.893 1.00 64.32 H new ATOM 0 HG SER A 9 15.403 -14.825 5.726 1.00 33.20 H new ATOM 146 N HIS A 10 19.000 -13.162 2.893 1.00 20.51 N ATOM 147 CA HIS A 10 18.898 -12.987 1.427 1.00 43.42 C ATOM 148 C HIS A 10 18.635 -14.354 0.744 1.00 53.23 C ATOM 149 O HIS A 10 18.371 -14.415 -0.468 1.00 33.20 O ATOM 150 CB HIS A 10 20.188 -12.300 0.869 1.00 72.13 C ATOM 151 CG HIS A 10 20.184 -12.060 -0.630 1.00 30.44 C ATOM 152 ND1 HIS A 10 19.210 -11.329 -1.281 1.00 23.24 N ATOM 153 CD2 HIS A 10 21.022 -12.495 -1.604 1.00 64.45 C ATOM 154 CE1 HIS A 10 19.447 -11.332 -2.577 1.00 64.32 C ATOM 155 NE2 HIS A 10 20.537 -12.036 -2.802 1.00 64.11 N ATOM 0 H HIS A 10 19.880 -13.583 3.191 1.00 20.51 H new ATOM 0 HA HIS A 10 18.055 -12.334 1.202 1.00 43.42 H new ATOM 0 HB2 HIS A 10 20.322 -11.344 1.375 1.00 72.13 H new ATOM 0 HB3 HIS A 10 21.050 -12.918 1.122 1.00 72.13 H new ATOM 0 HD2 HIS A 10 21.910 -13.094 -1.462 1.00 64.45 H new ATOM 0 HE1 HIS A 10 18.848 -10.840 -3.329 1.00 64.32 H new ATOM 0 HE2 HIS A 10 20.952 -12.211 -3.717 1.00 64.11 H new ATOM 164 N MET A 11 18.703 -15.455 1.530 1.00 63.43 N ATOM 165 CA MET A 11 18.375 -16.804 1.039 1.00 33.41 C ATOM 166 C MET A 11 16.868 -16.898 0.758 1.00 2.44 C ATOM 167 O MET A 11 16.063 -17.152 1.661 1.00 15.04 O ATOM 168 CB MET A 11 18.822 -17.909 2.035 1.00 62.10 C ATOM 169 CG MET A 11 18.534 -19.337 1.545 1.00 43.25 C ATOM 170 SD MET A 11 19.048 -20.613 2.709 1.00 5.23 S ATOM 171 CE MET A 11 18.574 -22.105 1.829 1.00 41.12 C ATOM 0 H MET A 11 18.984 -15.429 2.510 1.00 63.43 H new ATOM 0 HA MET A 11 18.925 -16.972 0.113 1.00 33.41 H new ATOM 0 HB2 MET A 11 19.891 -17.807 2.221 1.00 62.10 H new ATOM 0 HB3 MET A 11 18.316 -17.753 2.988 1.00 62.10 H new ATOM 0 HG2 MET A 11 17.466 -19.439 1.355 1.00 43.25 H new ATOM 0 HG3 MET A 11 19.044 -19.496 0.595 1.00 43.25 H new ATOM 0 HE1 MET A 11 18.831 -22.978 2.428 1.00 41.12 H new ATOM 0 HE2 MET A 11 17.499 -22.094 1.646 1.00 41.12 H new ATOM 0 HE3 MET A 11 19.103 -22.150 0.877 1.00 41.12 H new ATOM 181 N ALA A 12 16.507 -16.662 -0.502 1.00 61.51 N ATOM 182 CA ALA A 12 15.122 -16.695 -0.971 1.00 71.05 C ATOM 183 C ALA A 12 14.728 -18.124 -1.409 1.00 21.10 C ATOM 184 O ALA A 12 14.049 -18.300 -2.420 1.00 11.54 O ATOM 185 CB ALA A 12 14.964 -15.678 -2.111 1.00 25.31 C ATOM 0 H ALA A 12 17.178 -16.439 -1.237 1.00 61.51 H new ATOM 0 HA ALA A 12 14.446 -16.420 -0.162 1.00 71.05 H new ATOM 0 HB1 ALA A 12 13.935 -15.692 -2.471 1.00 25.31 H new ATOM 0 HB2 ALA A 12 15.207 -14.680 -1.745 1.00 25.31 H new ATOM 0 HB3 ALA A 12 15.637 -15.939 -2.927 1.00 25.31 H new ATOM 191 N GLY A 13 15.177 -19.136 -0.632 1.00 61.22 N ATOM 192 CA GLY A 13 14.755 -20.526 -0.828 1.00 20.54 C ATOM 193 C GLY A 13 13.287 -20.687 -0.468 1.00 22.21 C ATOM 194 O GLY A 13 12.456 -20.954 -1.345 1.00 14.44 O ATOM 0 H GLY A 13 15.834 -19.006 0.137 1.00 61.22 H new ATOM 0 HA2 GLY A 13 14.916 -20.819 -1.865 1.00 20.54 H new ATOM 0 HA3 GLY A 13 15.363 -21.188 -0.211 1.00 20.54 H new ATOM 198 N PRO A 14 12.935 -20.529 0.836 1.00 64.14 N ATOM 199 CA PRO A 14 11.558 -20.252 1.243 1.00 31.24 C ATOM 200 C PRO A 14 11.264 -18.746 1.048 1.00 1.11 C ATOM 201 O PRO A 14 11.873 -17.898 1.717 1.00 64.43 O ATOM 202 CB PRO A 14 11.536 -20.685 2.726 1.00 44.34 C ATOM 203 CG PRO A 14 12.943 -20.480 3.224 1.00 40.55 C ATOM 204 CD PRO A 14 13.853 -20.634 2.014 1.00 64.44 C ATOM 0 HA PRO A 14 10.794 -20.774 0.667 1.00 31.24 H new ATOM 0 HB2 PRO A 14 10.826 -20.089 3.299 1.00 44.34 H new ATOM 0 HB3 PRO A 14 11.232 -21.727 2.827 1.00 44.34 H new ATOM 0 HG2 PRO A 14 13.056 -19.493 3.672 1.00 40.55 H new ATOM 0 HG3 PRO A 14 13.193 -21.210 3.994 1.00 40.55 H new ATOM 0 HD2 PRO A 14 14.617 -19.857 1.991 1.00 64.44 H new ATOM 0 HD3 PRO A 14 14.372 -21.592 2.028 1.00 64.44 H new ATOM 212 N SER A 15 10.370 -18.430 0.092 1.00 30.23 N ATOM 213 CA SER A 15 10.053 -17.044 -0.294 1.00 71.32 C ATOM 214 C SER A 15 9.543 -16.237 0.913 1.00 21.53 C ATOM 215 O SER A 15 10.118 -15.193 1.275 1.00 10.01 O ATOM 216 CB SER A 15 8.997 -17.044 -1.422 1.00 31.40 C ATOM 217 OG SER A 15 7.834 -17.769 -1.056 1.00 51.12 O ATOM 0 H SER A 15 9.847 -19.130 -0.434 1.00 30.23 H new ATOM 0 HA SER A 15 10.965 -16.569 -0.655 1.00 71.32 H new ATOM 0 HB2 SER A 15 8.724 -16.017 -1.664 1.00 31.40 H new ATOM 0 HB3 SER A 15 9.428 -17.480 -2.323 1.00 31.40 H new ATOM 0 HG SER A 15 7.188 -17.746 -1.793 1.00 51.12 H new ATOM 223 N ASN A 16 8.451 -16.765 1.515 1.00 55.33 N ATOM 224 CA ASN A 16 7.803 -16.200 2.707 1.00 24.14 C ATOM 225 C ASN A 16 7.336 -14.774 2.412 1.00 64.31 C ATOM 226 O ASN A 16 7.676 -13.823 3.129 1.00 51.03 O ATOM 227 CB ASN A 16 8.731 -16.293 3.968 1.00 62.23 C ATOM 228 CG ASN A 16 8.980 -17.721 4.488 1.00 65.34 C ATOM 229 OD1 ASN A 16 8.961 -18.724 3.613 1.00 54.55 O flip ATOM 230 ND2 ASN A 16 9.199 -17.925 5.685 1.00 61.43 N flip ATOM 0 H ASN A 16 7.993 -17.610 1.174 1.00 55.33 H new ATOM 0 HA ASN A 16 6.921 -16.793 2.950 1.00 24.14 H new ATOM 0 HB2 ASN A 16 9.692 -15.837 3.728 1.00 62.23 H new ATOM 0 HB3 ASN A 16 8.289 -15.702 4.770 1.00 62.23 H new ATOM 0 HD21 ASN A 16 9.210 -17.145 6.342 1.00 61.43 H new ATOM 0 HD22 ASN A 16 9.369 -18.874 6.018 1.00 61.43 H new ATOM 237 N VAL A 17 6.607 -14.647 1.288 1.00 71.04 N ATOM 238 CA VAL A 17 5.874 -13.428 0.938 1.00 51.24 C ATOM 239 C VAL A 17 4.731 -13.257 1.951 1.00 34.14 C ATOM 240 O VAL A 17 3.814 -14.085 1.948 1.00 3.32 O ATOM 241 CB VAL A 17 5.261 -13.502 -0.513 1.00 43.22 C ATOM 242 CG1 VAL A 17 4.481 -12.210 -0.869 1.00 22.44 C ATOM 243 CG2 VAL A 17 6.342 -13.799 -1.568 1.00 1.32 C ATOM 0 H VAL A 17 6.513 -15.393 0.598 1.00 71.04 H new ATOM 0 HA VAL A 17 6.567 -12.587 0.962 1.00 51.24 H new ATOM 0 HB VAL A 17 4.552 -14.330 -0.519 1.00 43.22 H new ATOM 0 HG11 VAL A 17 4.073 -12.297 -1.876 1.00 22.44 H new ATOM 0 HG12 VAL A 17 3.667 -12.069 -0.158 1.00 22.44 H new ATOM 0 HG13 VAL A 17 5.154 -11.354 -0.823 1.00 22.44 H new ATOM 0 HG21 VAL A 17 5.884 -13.843 -2.556 1.00 1.32 H new ATOM 0 HG22 VAL A 17 7.093 -13.010 -1.551 1.00 1.32 H new ATOM 0 HG23 VAL A 17 6.815 -14.755 -1.345 1.00 1.32 H new ATOM 253 N PRO A 18 4.784 -12.243 2.868 1.00 25.55 N ATOM 254 CA PRO A 18 3.716 -12.023 3.867 1.00 3.03 C ATOM 255 C PRO A 18 2.338 -11.851 3.204 1.00 1.34 C ATOM 256 O PRO A 18 2.248 -11.251 2.119 1.00 53.01 O ATOM 257 CB PRO A 18 4.156 -10.727 4.595 1.00 52.04 C ATOM 258 CG PRO A 18 5.641 -10.679 4.394 1.00 22.22 C ATOM 259 CD PRO A 18 5.871 -11.239 3.008 1.00 12.11 C ATOM 0 HA PRO A 18 3.599 -12.870 4.542 1.00 3.03 H new ATOM 0 HB2 PRO A 18 3.668 -9.848 4.173 1.00 52.04 H new ATOM 0 HB3 PRO A 18 3.898 -10.758 5.654 1.00 52.04 H new ATOM 0 HG2 PRO A 18 6.017 -9.659 4.474 1.00 22.22 H new ATOM 0 HG3 PRO A 18 6.160 -11.270 5.149 1.00 22.22 H new ATOM 0 HD2 PRO A 18 5.806 -10.464 2.244 1.00 12.11 H new ATOM 0 HD3 PRO A 18 6.856 -11.696 2.916 1.00 12.11 H new ATOM 267 N ALA A 19 1.291 -12.406 3.854 1.00 41.20 N ATOM 268 CA ALA A 19 -0.111 -12.261 3.424 1.00 2.41 C ATOM 269 C ALA A 19 -0.466 -10.789 3.189 1.00 21.31 C ATOM 270 O ALA A 19 -1.176 -10.470 2.246 1.00 45.43 O ATOM 271 CB ALA A 19 -1.061 -12.894 4.452 1.00 21.01 C ATOM 0 H ALA A 19 1.400 -12.970 4.697 1.00 41.20 H new ATOM 0 HA ALA A 19 -0.230 -12.789 2.478 1.00 2.41 H new ATOM 0 HB1 ALA A 19 -2.091 -12.776 4.116 1.00 21.01 H new ATOM 0 HB2 ALA A 19 -0.832 -13.955 4.555 1.00 21.01 H new ATOM 0 HB3 ALA A 19 -0.935 -12.401 5.416 1.00 21.01 H new ATOM 277 N PHE A 20 0.092 -9.905 4.040 1.00 3.02 N ATOM 278 CA PHE A 20 -0.033 -8.449 3.906 1.00 13.35 C ATOM 279 C PHE A 20 0.441 -7.951 2.520 1.00 42.23 C ATOM 280 O PHE A 20 -0.270 -7.195 1.873 1.00 74.13 O ATOM 281 CB PHE A 20 0.761 -7.737 5.038 1.00 31.34 C ATOM 282 CG PHE A 20 0.528 -6.227 5.107 1.00 21.43 C ATOM 283 CD1 PHE A 20 1.288 -5.341 4.342 1.00 35.40 C ATOM 284 CD2 PHE A 20 -0.473 -5.695 5.924 1.00 12.44 C ATOM 285 CE1 PHE A 20 1.063 -3.986 4.396 1.00 30.31 C ATOM 286 CE2 PHE A 20 -0.694 -4.336 5.976 1.00 34.43 C ATOM 287 CZ PHE A 20 0.076 -3.485 5.210 1.00 53.12 C ATOM 0 H PHE A 20 0.647 -10.190 4.847 1.00 3.02 H new ATOM 0 HA PHE A 20 -1.090 -8.200 3.996 1.00 13.35 H new ATOM 0 HB2 PHE A 20 0.486 -8.181 5.995 1.00 31.34 H new ATOM 0 HB3 PHE A 20 1.825 -7.924 4.894 1.00 31.34 H new ATOM 0 HD1 PHE A 20 2.065 -5.726 3.698 1.00 35.40 H new ATOM 0 HD2 PHE A 20 -1.081 -6.357 6.522 1.00 12.44 H new ATOM 0 HE1 PHE A 20 1.662 -3.315 3.798 1.00 30.31 H new ATOM 0 HE2 PHE A 20 -1.468 -3.938 6.615 1.00 34.43 H new ATOM 0 HZ PHE A 20 -0.098 -2.420 5.250 1.00 53.12 H new ATOM 297 N LEU A 21 1.626 -8.416 2.064 1.00 23.42 N ATOM 298 CA LEU A 21 2.269 -7.898 0.832 1.00 4.13 C ATOM 299 C LEU A 21 1.621 -8.472 -0.439 1.00 35.03 C ATOM 300 O LEU A 21 1.551 -7.779 -1.452 1.00 71.21 O ATOM 301 CB LEU A 21 3.798 -8.186 0.819 1.00 64.25 C ATOM 302 CG LEU A 21 4.667 -7.405 1.855 1.00 72.20 C ATOM 303 CD1 LEU A 21 6.161 -7.738 1.667 1.00 1.13 C ATOM 304 CD2 LEU A 21 4.424 -5.875 1.770 1.00 32.14 C ATOM 0 H LEU A 21 2.158 -9.150 2.531 1.00 23.42 H new ATOM 0 HA LEU A 21 2.117 -6.819 0.837 1.00 4.13 H new ATOM 0 HB2 LEU A 21 3.945 -9.253 0.987 1.00 64.25 H new ATOM 0 HB3 LEU A 21 4.177 -7.965 -0.179 1.00 64.25 H new ATOM 0 HG LEU A 21 4.364 -7.725 2.852 1.00 72.20 H new ATOM 0 HD11 LEU A 21 6.752 -7.185 2.397 1.00 1.13 H new ATOM 0 HD12 LEU A 21 6.316 -8.807 1.810 1.00 1.13 H new ATOM 0 HD13 LEU A 21 6.473 -7.457 0.661 1.00 1.13 H new ATOM 0 HD21 LEU A 21 5.046 -5.366 2.506 1.00 32.14 H new ATOM 0 HD22 LEU A 21 4.680 -5.521 0.771 1.00 32.14 H new ATOM 0 HD23 LEU A 21 3.375 -5.661 1.973 1.00 32.14 H new ATOM 316 N THR A 22 1.183 -9.747 -0.393 1.00 51.33 N ATOM 317 CA THR A 22 0.510 -10.384 -1.545 1.00 34.42 C ATOM 318 C THR A 22 -0.913 -9.813 -1.739 1.00 64.42 C ATOM 319 O THR A 22 -1.364 -9.641 -2.878 1.00 75.43 O ATOM 320 CB THR A 22 0.488 -11.949 -1.414 1.00 25.12 C ATOM 321 OG1 THR A 22 0.055 -12.569 -2.641 1.00 20.53 O ATOM 322 CG2 THR A 22 -0.404 -12.440 -0.264 1.00 25.44 C ATOM 0 H THR A 22 1.282 -10.352 0.422 1.00 51.33 H new ATOM 0 HA THR A 22 1.090 -10.147 -2.437 1.00 34.42 H new ATOM 0 HB THR A 22 1.515 -12.241 -1.194 1.00 25.12 H new ATOM 0 HG1 THR A 22 0.052 -13.543 -2.532 1.00 20.53 H new ATOM 0 HG21 THR A 22 -0.379 -13.529 -0.224 1.00 25.44 H new ATOM 0 HG22 THR A 22 -0.039 -12.033 0.679 1.00 25.44 H new ATOM 0 HG23 THR A 22 -1.428 -12.107 -0.430 1.00 25.44 H new ATOM 330 N LYS A 23 -1.603 -9.501 -0.616 1.00 72.42 N ATOM 331 CA LYS A 23 -2.910 -8.825 -0.647 1.00 61.12 C ATOM 332 C LYS A 23 -2.740 -7.378 -1.127 1.00 55.33 C ATOM 333 O LYS A 23 -3.521 -6.906 -1.947 1.00 3.35 O ATOM 334 CB LYS A 23 -3.590 -8.860 0.750 1.00 43.41 C ATOM 335 CG LYS A 23 -4.064 -10.259 1.253 1.00 53.24 C ATOM 336 CD LYS A 23 -5.406 -10.759 0.644 1.00 43.44 C ATOM 337 CE LYS A 23 -5.279 -11.328 -0.779 1.00 14.35 C ATOM 338 NZ LYS A 23 -4.392 -12.524 -0.835 1.00 14.24 N ATOM 0 H LYS A 23 -1.269 -9.711 0.325 1.00 72.42 H new ATOM 0 HA LYS A 23 -3.556 -9.356 -1.346 1.00 61.12 H new ATOM 0 HB2 LYS A 23 -2.892 -8.452 1.481 1.00 43.41 H new ATOM 0 HB3 LYS A 23 -4.453 -8.194 0.727 1.00 43.41 H new ATOM 0 HG2 LYS A 23 -3.287 -10.990 1.030 1.00 53.24 H new ATOM 0 HG3 LYS A 23 -4.166 -10.223 2.338 1.00 53.24 H new ATOM 0 HD2 LYS A 23 -5.823 -11.528 1.295 1.00 43.44 H new ATOM 0 HD3 LYS A 23 -6.116 -9.932 0.631 1.00 43.44 H new ATOM 0 HE2 LYS A 23 -6.268 -11.595 -1.150 1.00 14.35 H new ATOM 0 HE3 LYS A 23 -4.887 -10.557 -1.442 1.00 14.35 H new ATOM 0 HZ1 LYS A 23 -3.558 -12.311 -1.418 1.00 14.24 H new ATOM 0 HZ2 LYS A 23 -4.087 -12.775 0.127 1.00 14.24 H new ATOM 0 HZ3 LYS A 23 -4.911 -13.322 -1.253 1.00 14.24 H new ATOM 352 N LEU A 24 -1.682 -6.708 -0.616 1.00 22.23 N ATOM 353 CA LEU A 24 -1.310 -5.335 -1.005 1.00 1.40 C ATOM 354 C LEU A 24 -1.014 -5.243 -2.514 1.00 61.33 C ATOM 355 O LEU A 24 -1.400 -4.275 -3.155 1.00 21.31 O ATOM 356 CB LEU A 24 -0.074 -4.853 -0.196 1.00 4.02 C ATOM 357 CG LEU A 24 0.458 -3.418 -0.523 1.00 63.02 C ATOM 358 CD1 LEU A 24 -0.582 -2.333 -0.174 1.00 35.43 C ATOM 359 CD2 LEU A 24 1.802 -3.158 0.179 1.00 11.13 C ATOM 0 H LEU A 24 -1.059 -7.112 0.084 1.00 22.23 H new ATOM 0 HA LEU A 24 -2.158 -4.688 -0.780 1.00 1.40 H new ATOM 0 HB2 LEU A 24 -0.324 -4.891 0.864 1.00 4.02 H new ATOM 0 HB3 LEU A 24 0.737 -5.563 -0.357 1.00 4.02 H new ATOM 0 HG LEU A 24 0.627 -3.364 -1.598 1.00 63.02 H new ATOM 0 HD11 LEU A 24 -0.177 -1.350 -0.415 1.00 35.43 H new ATOM 0 HD12 LEU A 24 -1.491 -2.502 -0.751 1.00 35.43 H new ATOM 0 HD13 LEU A 24 -0.813 -2.379 0.890 1.00 35.43 H new ATOM 0 HD21 LEU A 24 2.151 -2.154 -0.064 1.00 11.13 H new ATOM 0 HD22 LEU A 24 1.672 -3.246 1.258 1.00 11.13 H new ATOM 0 HD23 LEU A 24 2.536 -3.889 -0.159 1.00 11.13 H new ATOM 371 N TRP A 25 -0.335 -6.264 -3.059 1.00 4.31 N ATOM 372 CA TRP A 25 -0.008 -6.343 -4.492 1.00 22.01 C ATOM 373 C TRP A 25 -1.281 -6.368 -5.360 1.00 43.42 C ATOM 374 O TRP A 25 -1.446 -5.542 -6.273 1.00 53.20 O ATOM 375 CB TRP A 25 0.853 -7.601 -4.762 1.00 54.31 C ATOM 376 CG TRP A 25 1.365 -7.661 -6.176 1.00 51.45 C ATOM 377 CD1 TRP A 25 0.866 -8.390 -7.217 1.00 4.53 C ATOM 378 CD2 TRP A 25 2.458 -6.906 -6.702 1.00 2.41 C ATOM 379 NE1 TRP A 25 1.578 -8.126 -8.355 1.00 65.14 N ATOM 380 CE2 TRP A 25 2.566 -7.225 -8.063 1.00 70.43 C ATOM 381 CE3 TRP A 25 3.356 -5.991 -6.145 1.00 40.42 C ATOM 382 CZ2 TRP A 25 3.535 -6.663 -8.877 1.00 32.24 C ATOM 383 CZ3 TRP A 25 4.320 -5.433 -6.953 1.00 41.42 C ATOM 384 CH2 TRP A 25 4.401 -5.771 -8.306 1.00 34.45 C ATOM 0 H TRP A 25 0.004 -7.060 -2.518 1.00 4.31 H new ATOM 0 HA TRP A 25 0.558 -5.452 -4.763 1.00 22.01 H new ATOM 0 HB2 TRP A 25 1.698 -7.613 -4.073 1.00 54.31 H new ATOM 0 HB3 TRP A 25 0.261 -8.493 -4.556 1.00 54.31 H new ATOM 0 HD1 TRP A 25 0.033 -9.074 -7.152 1.00 4.53 H new ATOM 0 HE1 TRP A 25 1.401 -8.535 -9.273 1.00 65.14 H new ATOM 0 HE3 TRP A 25 3.294 -5.727 -5.100 1.00 40.42 H new ATOM 0 HZ2 TRP A 25 3.605 -6.919 -9.924 1.00 32.24 H new ATOM 0 HZ3 TRP A 25 5.022 -4.726 -6.536 1.00 41.42 H new ATOM 0 HH2 TRP A 25 5.167 -5.317 -8.917 1.00 34.45 H new ATOM 395 N THR A 26 -2.176 -7.317 -5.030 1.00 50.40 N ATOM 396 CA THR A 26 -3.473 -7.491 -5.699 1.00 43.41 C ATOM 397 C THR A 26 -4.344 -6.218 -5.542 1.00 43.24 C ATOM 398 O THR A 26 -5.133 -5.884 -6.424 1.00 23.52 O ATOM 399 CB THR A 26 -4.203 -8.744 -5.105 1.00 22.30 C ATOM 400 OG1 THR A 26 -3.306 -9.868 -5.125 1.00 5.35 O ATOM 401 CG2 THR A 26 -5.489 -9.117 -5.867 1.00 42.13 C ATOM 0 H THR A 26 -2.014 -7.991 -4.282 1.00 50.40 H new ATOM 0 HA THR A 26 -3.308 -7.650 -6.765 1.00 43.41 H new ATOM 0 HB THR A 26 -4.495 -8.487 -4.087 1.00 22.30 H new ATOM 0 HG1 THR A 26 -2.709 -9.824 -4.349 1.00 5.35 H new ATOM 0 HG21 THR A 26 -5.945 -9.992 -5.405 1.00 42.13 H new ATOM 0 HG22 THR A 26 -6.188 -8.282 -5.831 1.00 42.13 H new ATOM 0 HG23 THR A 26 -5.245 -9.341 -6.905 1.00 42.13 H new ATOM 409 N LEU A 27 -4.115 -5.498 -4.429 1.00 62.53 N ATOM 410 CA LEU A 27 -4.833 -4.273 -4.047 1.00 42.11 C ATOM 411 C LEU A 27 -4.435 -3.058 -4.920 1.00 2.21 C ATOM 412 O LEU A 27 -5.308 -2.356 -5.442 1.00 71.13 O ATOM 413 CB LEU A 27 -4.534 -4.021 -2.541 1.00 44.43 C ATOM 414 CG LEU A 27 -5.038 -2.702 -1.921 1.00 55.25 C ATOM 415 CD1 LEU A 27 -6.536 -2.536 -2.162 1.00 61.02 C ATOM 416 CD2 LEU A 27 -4.687 -2.630 -0.415 1.00 61.43 C ATOM 0 H LEU A 27 -3.401 -5.763 -3.750 1.00 62.53 H new ATOM 0 HA LEU A 27 -5.903 -4.403 -4.212 1.00 42.11 H new ATOM 0 HB2 LEU A 27 -4.964 -4.845 -1.971 1.00 44.43 H new ATOM 0 HB3 LEU A 27 -3.454 -4.066 -2.401 1.00 44.43 H new ATOM 0 HG LEU A 27 -4.530 -1.871 -2.411 1.00 55.25 H new ATOM 0 HD11 LEU A 27 -6.874 -1.600 -1.718 1.00 61.02 H new ATOM 0 HD12 LEU A 27 -6.733 -2.521 -3.234 1.00 61.02 H new ATOM 0 HD13 LEU A 27 -7.072 -3.369 -1.707 1.00 61.02 H new ATOM 0 HD21 LEU A 27 -5.053 -1.691 -0.001 1.00 61.43 H new ATOM 0 HD22 LEU A 27 -5.155 -3.464 0.108 1.00 61.43 H new ATOM 0 HD23 LEU A 27 -3.606 -2.685 -0.290 1.00 61.43 H new ATOM 428 N VAL A 28 -3.118 -2.823 -5.061 1.00 21.24 N ATOM 429 CA VAL A 28 -2.561 -1.717 -5.886 1.00 51.43 C ATOM 430 C VAL A 28 -2.986 -1.848 -7.375 1.00 63.24 C ATOM 431 O VAL A 28 -3.150 -0.845 -8.089 1.00 14.05 O ATOM 432 CB VAL A 28 -0.981 -1.689 -5.759 1.00 75.11 C ATOM 433 CG1 VAL A 28 -0.329 -0.621 -6.657 1.00 74.52 C ATOM 434 CG2 VAL A 28 -0.544 -1.473 -4.293 1.00 42.21 C ATOM 0 H VAL A 28 -2.402 -3.392 -4.608 1.00 21.24 H new ATOM 0 HA VAL A 28 -2.966 -0.777 -5.510 1.00 51.43 H new ATOM 0 HB VAL A 28 -0.634 -2.664 -6.101 1.00 75.11 H new ATOM 0 HG11 VAL A 28 0.753 -0.648 -6.528 1.00 74.52 H new ATOM 0 HG12 VAL A 28 -0.575 -0.822 -7.699 1.00 74.52 H new ATOM 0 HG13 VAL A 28 -0.703 0.365 -6.380 1.00 74.52 H new ATOM 0 HG21 VAL A 28 0.544 -1.458 -4.236 1.00 42.21 H new ATOM 0 HG22 VAL A 28 -0.939 -0.524 -3.932 1.00 42.21 H new ATOM 0 HG23 VAL A 28 -0.929 -2.285 -3.675 1.00 42.21 H new ATOM 444 N SER A 29 -3.188 -3.103 -7.811 1.00 24.53 N ATOM 445 CA SER A 29 -3.518 -3.449 -9.203 1.00 63.00 C ATOM 446 C SER A 29 -5.044 -3.726 -9.400 1.00 42.12 C ATOM 447 O SER A 29 -5.473 -4.063 -10.510 1.00 35.11 O ATOM 448 CB SER A 29 -2.650 -4.676 -9.598 1.00 23.22 C ATOM 449 OG SER A 29 -2.807 -5.038 -10.959 1.00 52.21 O ATOM 0 H SER A 29 -3.126 -3.916 -7.198 1.00 24.53 H new ATOM 0 HA SER A 29 -3.295 -2.605 -9.856 1.00 63.00 H new ATOM 0 HB2 SER A 29 -1.601 -4.452 -9.404 1.00 23.22 H new ATOM 0 HB3 SER A 29 -2.917 -5.524 -8.967 1.00 23.22 H new ATOM 0 HG SER A 29 -3.727 -4.853 -11.243 1.00 52.21 H new ATOM 455 N ASP A 30 -5.857 -3.556 -8.332 1.00 11.15 N ATOM 456 CA ASP A 30 -7.327 -3.846 -8.345 1.00 31.42 C ATOM 457 C ASP A 30 -8.156 -2.642 -8.876 1.00 10.40 C ATOM 458 O ASP A 30 -7.941 -1.520 -8.425 1.00 33.53 O ATOM 459 CB ASP A 30 -7.774 -4.220 -6.905 1.00 15.11 C ATOM 460 CG ASP A 30 -9.277 -4.531 -6.745 1.00 44.32 C ATOM 461 OD1 ASP A 30 -9.704 -5.669 -7.045 1.00 25.42 O ATOM 462 OD2 ASP A 30 -10.041 -3.656 -6.294 1.00 35.11 O ATOM 0 H ASP A 30 -5.521 -3.214 -7.432 1.00 11.15 H new ATOM 0 HA ASP A 30 -7.510 -4.678 -9.025 1.00 31.42 H new ATOM 0 HB2 ASP A 30 -7.203 -5.089 -6.578 1.00 15.11 H new ATOM 0 HB3 ASP A 30 -7.516 -3.399 -6.236 1.00 15.11 H new ATOM 467 N PRO A 31 -9.154 -2.872 -9.807 1.00 43.32 N ATOM 468 CA PRO A 31 -9.938 -1.779 -10.452 1.00 31.33 C ATOM 469 C PRO A 31 -11.051 -1.180 -9.560 1.00 24.41 C ATOM 470 O PRO A 31 -11.664 -0.178 -9.939 1.00 62.33 O ATOM 471 CB PRO A 31 -10.544 -2.480 -11.691 1.00 41.22 C ATOM 472 CG PRO A 31 -10.747 -3.897 -11.253 1.00 61.43 C ATOM 473 CD PRO A 31 -9.593 -4.209 -10.315 1.00 62.51 C ATOM 0 HA PRO A 31 -9.307 -0.919 -10.676 1.00 31.33 H new ATOM 0 HB2 PRO A 31 -11.485 -2.017 -11.989 1.00 41.22 H new ATOM 0 HB3 PRO A 31 -9.874 -2.421 -12.549 1.00 41.22 H new ATOM 0 HG2 PRO A 31 -11.705 -4.017 -10.748 1.00 61.43 H new ATOM 0 HG3 PRO A 31 -10.751 -4.574 -12.107 1.00 61.43 H new ATOM 0 HD2 PRO A 31 -9.909 -4.860 -9.500 1.00 62.51 H new ATOM 0 HD3 PRO A 31 -8.784 -4.721 -10.837 1.00 62.51 H new ATOM 481 N ASP A 32 -11.353 -1.813 -8.412 1.00 63.00 N ATOM 482 CA ASP A 32 -12.324 -1.265 -7.431 1.00 40.02 C ATOM 483 C ASP A 32 -11.616 -0.321 -6.444 1.00 3.25 C ATOM 484 O ASP A 32 -12.232 0.606 -5.898 1.00 40.01 O ATOM 485 CB ASP A 32 -13.048 -2.422 -6.680 1.00 20.33 C ATOM 486 CG ASP A 32 -14.069 -1.935 -5.627 1.00 34.12 C ATOM 487 OD1 ASP A 32 -15.193 -1.538 -6.015 1.00 61.10 O ATOM 488 OD2 ASP A 32 -13.764 -1.950 -4.407 1.00 11.30 O ATOM 0 H ASP A 32 -10.942 -2.705 -8.135 1.00 63.00 H new ATOM 0 HA ASP A 32 -13.077 -0.688 -7.968 1.00 40.02 H new ATOM 0 HB2 ASP A 32 -13.561 -3.051 -7.408 1.00 20.33 H new ATOM 0 HB3 ASP A 32 -12.302 -3.047 -6.189 1.00 20.33 H new ATOM 493 N THR A 33 -10.308 -0.534 -6.238 1.00 64.04 N ATOM 494 CA THR A 33 -9.529 0.190 -5.218 1.00 74.43 C ATOM 495 C THR A 33 -8.401 1.054 -5.812 1.00 42.12 C ATOM 496 O THR A 33 -7.736 1.769 -5.058 1.00 24.35 O ATOM 497 CB THR A 33 -8.942 -0.810 -4.176 1.00 14.13 C ATOM 498 OG1 THR A 33 -8.146 -1.796 -4.842 1.00 63.35 O ATOM 499 CG2 THR A 33 -10.040 -1.528 -3.373 1.00 60.41 C ATOM 0 H THR A 33 -9.760 -1.210 -6.771 1.00 64.04 H new ATOM 0 HA THR A 33 -10.223 0.873 -4.728 1.00 74.43 H new ATOM 0 HB THR A 33 -8.336 -0.227 -3.482 1.00 14.13 H new ATOM 0 HG1 THR A 33 -7.327 -1.379 -5.183 1.00 63.35 H new ATOM 0 HG21 THR A 33 -9.581 -2.213 -2.661 1.00 60.41 H new ATOM 0 HG22 THR A 33 -10.637 -0.792 -2.835 1.00 60.41 H new ATOM 0 HG23 THR A 33 -10.681 -2.088 -4.054 1.00 60.41 H new ATOM 507 N ASP A 34 -8.216 1.033 -7.152 1.00 53.34 N ATOM 508 CA ASP A 34 -7.118 1.786 -7.828 1.00 63.14 C ATOM 509 C ASP A 34 -7.248 3.307 -7.615 1.00 5.10 C ATOM 510 O ASP A 34 -6.245 4.037 -7.616 1.00 73.55 O ATOM 511 CB ASP A 34 -7.069 1.465 -9.349 1.00 21.22 C ATOM 512 CG ASP A 34 -8.259 2.035 -10.155 1.00 21.34 C ATOM 513 OD1 ASP A 34 -9.413 1.704 -9.831 1.00 34.21 O ATOM 514 OD2 ASP A 34 -8.053 2.823 -11.107 1.00 12.24 O ATOM 0 H ASP A 34 -8.809 0.505 -7.792 1.00 53.34 H new ATOM 0 HA ASP A 34 -6.185 1.459 -7.370 1.00 63.14 H new ATOM 0 HB2 ASP A 34 -6.141 1.861 -9.763 1.00 21.22 H new ATOM 0 HB3 ASP A 34 -7.041 0.383 -9.480 1.00 21.22 H new ATOM 519 N ALA A 35 -8.498 3.763 -7.432 1.00 65.14 N ATOM 520 CA ALA A 35 -8.820 5.176 -7.175 1.00 54.33 C ATOM 521 C ALA A 35 -8.271 5.685 -5.820 1.00 33.03 C ATOM 522 O ALA A 35 -8.015 6.881 -5.668 1.00 43.01 O ATOM 523 CB ALA A 35 -10.334 5.385 -7.263 1.00 54.50 C ATOM 0 H ALA A 35 -9.319 3.158 -7.458 1.00 65.14 H new ATOM 0 HA ALA A 35 -8.323 5.767 -7.944 1.00 54.33 H new ATOM 0 HB1 ALA A 35 -10.568 6.432 -7.072 1.00 54.50 H new ATOM 0 HB2 ALA A 35 -10.682 5.111 -8.259 1.00 54.50 H new ATOM 0 HB3 ALA A 35 -10.831 4.761 -6.521 1.00 54.50 H new ATOM 529 N LEU A 36 -8.076 4.764 -4.847 1.00 75.21 N ATOM 530 CA LEU A 36 -7.541 5.104 -3.506 1.00 21.33 C ATOM 531 C LEU A 36 -6.181 4.439 -3.242 1.00 73.22 C ATOM 532 O LEU A 36 -5.581 4.684 -2.197 1.00 51.24 O ATOM 533 CB LEU A 36 -8.556 4.722 -2.388 1.00 32.13 C ATOM 534 CG LEU A 36 -9.946 5.441 -2.438 1.00 12.12 C ATOM 535 CD1 LEU A 36 -10.797 5.101 -1.199 1.00 43.01 C ATOM 536 CD2 LEU A 36 -9.802 6.970 -2.600 1.00 34.11 C ATOM 0 H LEU A 36 -8.283 3.772 -4.967 1.00 75.21 H new ATOM 0 HA LEU A 36 -7.390 6.183 -3.489 1.00 21.33 H new ATOM 0 HB2 LEU A 36 -8.725 3.646 -2.433 1.00 32.13 H new ATOM 0 HB3 LEU A 36 -8.096 4.932 -1.422 1.00 32.13 H new ATOM 0 HG LEU A 36 -10.464 5.066 -3.321 1.00 12.12 H new ATOM 0 HD11 LEU A 36 -11.756 5.616 -1.264 1.00 43.01 H new ATOM 0 HD12 LEU A 36 -10.965 4.025 -1.157 1.00 43.01 H new ATOM 0 HD13 LEU A 36 -10.273 5.422 -0.299 1.00 43.01 H new ATOM 0 HD21 LEU A 36 -10.791 7.427 -2.630 1.00 34.11 H new ATOM 0 HD22 LEU A 36 -9.241 7.374 -1.757 1.00 34.11 H new ATOM 0 HD23 LEU A 36 -9.273 7.189 -3.527 1.00 34.11 H new ATOM 548 N ILE A 37 -5.716 3.571 -4.169 1.00 12.33 N ATOM 549 CA ILE A 37 -4.364 2.986 -4.105 1.00 74.34 C ATOM 550 C ILE A 37 -3.928 2.451 -5.488 1.00 12.22 C ATOM 551 O ILE A 37 -4.514 1.507 -6.026 1.00 42.42 O ATOM 552 CB ILE A 37 -4.258 1.881 -2.989 1.00 23.41 C ATOM 553 CG1 ILE A 37 -2.806 1.317 -2.874 1.00 41.41 C ATOM 554 CG2 ILE A 37 -5.301 0.752 -3.184 1.00 13.20 C ATOM 555 CD1 ILE A 37 -2.579 0.376 -1.700 1.00 42.11 C ATOM 0 H ILE A 37 -6.263 3.261 -4.972 1.00 12.33 H new ATOM 0 HA ILE A 37 -3.672 3.780 -3.825 1.00 74.34 H new ATOM 0 HB ILE A 37 -4.494 2.364 -2.041 1.00 23.41 H new ATOM 0 HG12 ILE A 37 -2.562 0.790 -3.796 1.00 41.41 H new ATOM 0 HG13 ILE A 37 -2.112 2.153 -2.791 1.00 41.41 H new ATOM 0 HG21 ILE A 37 -5.190 0.013 -2.391 1.00 13.20 H new ATOM 0 HG22 ILE A 37 -6.305 1.174 -3.148 1.00 13.20 H new ATOM 0 HG23 ILE A 37 -5.143 0.273 -4.150 1.00 13.20 H new ATOM 0 HD11 ILE A 37 -1.544 0.035 -1.702 1.00 42.11 H new ATOM 0 HD12 ILE A 37 -2.787 0.901 -0.768 1.00 42.11 H new ATOM 0 HD13 ILE A 37 -3.244 -0.483 -1.789 1.00 42.11 H new ATOM 567 N CYS A 38 -2.885 3.070 -6.047 1.00 63.32 N ATOM 568 CA CYS A 38 -2.314 2.687 -7.346 1.00 50.44 C ATOM 569 C CYS A 38 -0.821 3.023 -7.352 1.00 31.31 C ATOM 570 O CYS A 38 -0.371 3.898 -6.599 1.00 64.11 O ATOM 571 CB CYS A 38 -3.040 3.409 -8.509 1.00 42.40 C ATOM 572 SG CYS A 38 -2.888 5.211 -8.477 1.00 43.04 S ATOM 0 H CYS A 38 -2.407 3.858 -5.609 1.00 63.32 H new ATOM 0 HA CYS A 38 -2.448 1.615 -7.493 1.00 50.44 H new ATOM 0 HB2 CYS A 38 -2.643 3.039 -9.455 1.00 42.40 H new ATOM 0 HB3 CYS A 38 -4.097 3.145 -8.482 1.00 42.40 H new ATOM 0 HG CYS A 38 -3.526 5.718 -9.489 1.00 43.04 H new ATOM 578 N TRP A 39 -0.068 2.330 -8.219 1.00 44.12 N ATOM 579 CA TRP A 39 1.396 2.505 -8.359 1.00 24.14 C ATOM 580 C TRP A 39 1.698 3.816 -9.111 1.00 12.23 C ATOM 581 O TRP A 39 0.864 4.292 -9.888 1.00 74.11 O ATOM 582 CB TRP A 39 2.044 1.268 -9.065 1.00 20.32 C ATOM 583 CG TRP A 39 1.304 0.755 -10.296 1.00 65.53 C ATOM 584 CD1 TRP A 39 0.271 -0.152 -10.320 1.00 60.22 C ATOM 585 CD2 TRP A 39 1.547 1.100 -11.673 1.00 42.40 C ATOM 586 NE1 TRP A 39 -0.136 -0.375 -11.607 1.00 12.32 N ATOM 587 CE2 TRP A 39 0.633 0.369 -12.458 1.00 0.51 C ATOM 588 CE3 TRP A 39 2.454 1.948 -12.316 1.00 30.22 C ATOM 589 CZ2 TRP A 39 0.592 0.471 -13.845 1.00 50.33 C ATOM 590 CZ3 TRP A 39 2.413 2.049 -13.693 1.00 2.34 C ATOM 591 CH2 TRP A 39 1.492 1.309 -14.445 1.00 24.42 C ATOM 0 H TRP A 39 -0.454 1.627 -8.849 1.00 44.12 H new ATOM 0 HA TRP A 39 1.841 2.573 -7.366 1.00 24.14 H new ATOM 0 HB2 TRP A 39 3.061 1.529 -9.356 1.00 20.32 H new ATOM 0 HB3 TRP A 39 2.118 0.456 -8.342 1.00 20.32 H new ATOM 0 HD1 TRP A 39 -0.158 -0.622 -9.447 1.00 60.22 H new ATOM 0 HE1 TRP A 39 -0.893 -0.998 -11.887 1.00 12.32 H new ATOM 0 HE3 TRP A 39 3.175 2.515 -11.745 1.00 30.22 H new ATOM 0 HZ2 TRP A 39 -0.124 -0.091 -14.427 1.00 50.33 H new ATOM 0 HZ3 TRP A 39 3.102 2.709 -14.198 1.00 2.34 H new ATOM 0 HH2 TRP A 39 1.492 1.402 -15.521 1.00 24.42 H new ATOM 602 N SER A 40 2.871 4.404 -8.838 1.00 34.33 N ATOM 603 CA SER A 40 3.332 5.648 -9.487 1.00 31.24 C ATOM 604 C SER A 40 3.842 5.352 -10.925 1.00 14.13 C ATOM 605 O SER A 40 4.332 4.256 -11.166 1.00 61.52 O ATOM 606 CB SER A 40 4.448 6.288 -8.628 1.00 25.43 C ATOM 607 OG SER A 40 4.002 6.522 -7.300 1.00 12.31 O ATOM 0 H SER A 40 3.533 4.031 -8.158 1.00 34.33 H new ATOM 0 HA SER A 40 2.499 6.347 -9.565 1.00 31.24 H new ATOM 0 HB2 SER A 40 5.319 5.633 -8.612 1.00 25.43 H new ATOM 0 HB3 SER A 40 4.764 7.228 -9.079 1.00 25.43 H new ATOM 0 HG SER A 40 4.744 6.381 -6.676 1.00 12.31 H new ATOM 613 N PRO A 41 3.701 6.313 -11.902 1.00 41.03 N ATOM 614 CA PRO A 41 4.183 6.141 -13.312 1.00 74.42 C ATOM 615 C PRO A 41 5.627 5.585 -13.479 1.00 53.24 C ATOM 616 O PRO A 41 5.903 4.870 -14.449 1.00 33.14 O ATOM 617 CB PRO A 41 4.058 7.567 -13.886 1.00 63.11 C ATOM 618 CG PRO A 41 2.880 8.149 -13.163 1.00 62.10 C ATOM 619 CD PRO A 41 2.973 7.614 -11.745 1.00 4.53 C ATOM 0 HA PRO A 41 3.596 5.380 -13.826 1.00 74.42 H new ATOM 0 HB2 PRO A 41 4.962 8.149 -13.708 1.00 63.11 H new ATOM 0 HB3 PRO A 41 3.896 7.550 -14.964 1.00 63.11 H new ATOM 0 HG2 PRO A 41 2.911 9.238 -13.175 1.00 62.10 H new ATOM 0 HG3 PRO A 41 1.943 7.852 -13.635 1.00 62.10 H new ATOM 0 HD2 PRO A 41 3.515 8.300 -11.093 1.00 4.53 H new ATOM 0 HD3 PRO A 41 1.986 7.470 -11.306 1.00 4.53 H new ATOM 627 N SER A 42 6.540 5.928 -12.547 1.00 54.42 N ATOM 628 CA SER A 42 7.921 5.384 -12.535 1.00 60.34 C ATOM 629 C SER A 42 7.929 3.938 -11.987 1.00 2.13 C ATOM 630 O SER A 42 8.755 3.108 -12.388 1.00 0.44 O ATOM 631 CB SER A 42 8.846 6.302 -11.703 1.00 64.34 C ATOM 632 OG SER A 42 8.841 7.633 -12.204 1.00 20.12 O ATOM 0 H SER A 42 6.348 6.582 -11.788 1.00 54.42 H new ATOM 0 HA SER A 42 8.299 5.355 -13.557 1.00 60.34 H new ATOM 0 HB2 SER A 42 8.521 6.302 -10.662 1.00 64.34 H new ATOM 0 HB3 SER A 42 9.862 5.909 -11.720 1.00 64.34 H new ATOM 0 HG SER A 42 9.433 8.191 -11.657 1.00 20.12 H new ATOM 638 N GLY A 43 6.999 3.651 -11.054 1.00 43.31 N ATOM 639 CA GLY A 43 6.750 2.286 -10.576 1.00 60.21 C ATOM 640 C GLY A 43 7.516 1.916 -9.316 1.00 71.34 C ATOM 641 O GLY A 43 7.364 0.805 -8.819 1.00 42.13 O ATOM 0 H GLY A 43 6.406 4.357 -10.617 1.00 43.31 H new ATOM 0 HA2 GLY A 43 5.683 2.169 -10.386 1.00 60.21 H new ATOM 0 HA3 GLY A 43 7.012 1.583 -11.367 1.00 60.21 H new ATOM 645 N ASN A 44 8.324 2.852 -8.791 1.00 2.24 N ATOM 646 CA ASN A 44 9.217 2.596 -7.634 1.00 62.21 C ATOM 647 C ASN A 44 8.489 2.851 -6.299 1.00 4.01 C ATOM 648 O ASN A 44 9.068 2.658 -5.215 1.00 70.52 O ATOM 649 CB ASN A 44 10.484 3.491 -7.738 1.00 3.34 C ATOM 650 CG ASN A 44 11.250 3.364 -9.072 1.00 11.23 C ATOM 651 OD1 ASN A 44 11.266 2.180 -9.679 1.00 53.33 O flip ATOM 652 ND2 ASN A 44 11.844 4.332 -9.552 1.00 20.42 N flip ATOM 0 H ASN A 44 8.381 3.805 -9.150 1.00 2.24 H new ATOM 0 HA ASN A 44 9.514 1.548 -7.656 1.00 62.21 H new ATOM 0 HB2 ASN A 44 10.191 4.532 -7.600 1.00 3.34 H new ATOM 0 HB3 ASN A 44 11.159 3.239 -6.920 1.00 3.34 H new ATOM 0 HD21 ASN A 44 11.821 5.233 -9.074 1.00 20.42 H new ATOM 0 HD22 ASN A 44 12.358 4.232 -10.427 1.00 20.42 H new ATOM 659 N SER A 45 7.216 3.285 -6.390 1.00 50.14 N ATOM 660 CA SER A 45 6.376 3.612 -5.228 1.00 14.23 C ATOM 661 C SER A 45 4.885 3.438 -5.576 1.00 31.20 C ATOM 662 O SER A 45 4.544 3.093 -6.716 1.00 1.32 O ATOM 663 CB SER A 45 6.662 5.068 -4.779 1.00 61.41 C ATOM 664 OG SER A 45 6.491 5.999 -5.841 1.00 71.51 O ATOM 0 H SER A 45 6.741 3.419 -7.282 1.00 50.14 H new ATOM 0 HA SER A 45 6.615 2.932 -4.410 1.00 14.23 H new ATOM 0 HB2 SER A 45 5.997 5.331 -3.957 1.00 61.41 H new ATOM 0 HB3 SER A 45 7.681 5.136 -4.398 1.00 61.41 H new ATOM 0 HG SER A 45 6.830 6.876 -5.565 1.00 71.51 H new ATOM 670 N PHE A 46 4.003 3.658 -4.581 1.00 3.34 N ATOM 671 CA PHE A 46 2.543 3.735 -4.795 1.00 52.41 C ATOM 672 C PHE A 46 1.945 4.828 -3.899 1.00 40.05 C ATOM 673 O PHE A 46 2.454 5.083 -2.804 1.00 33.00 O ATOM 674 CB PHE A 46 1.847 2.358 -4.547 1.00 72.24 C ATOM 675 CG PHE A 46 1.883 1.825 -3.106 1.00 31.54 C ATOM 676 CD1 PHE A 46 2.976 1.098 -2.636 1.00 54.41 C ATOM 677 CD2 PHE A 46 0.809 2.027 -2.232 1.00 50.34 C ATOM 678 CE1 PHE A 46 2.998 0.596 -1.349 1.00 65.04 C ATOM 679 CE2 PHE A 46 0.833 1.522 -0.946 1.00 13.20 C ATOM 680 CZ PHE A 46 1.928 0.806 -0.506 1.00 23.43 C ATOM 0 H PHE A 46 4.281 3.787 -3.608 1.00 3.34 H new ATOM 0 HA PHE A 46 2.363 3.995 -5.838 1.00 52.41 H new ATOM 0 HB2 PHE A 46 0.805 2.442 -4.855 1.00 72.24 H new ATOM 0 HB3 PHE A 46 2.313 1.617 -5.197 1.00 72.24 H new ATOM 0 HD1 PHE A 46 3.819 0.925 -3.288 1.00 54.41 H new ATOM 0 HD2 PHE A 46 -0.052 2.586 -2.568 1.00 50.34 H new ATOM 0 HE1 PHE A 46 3.855 0.038 -1.003 1.00 65.04 H new ATOM 0 HE2 PHE A 46 -0.005 1.688 -0.285 1.00 13.20 H new ATOM 0 HZ PHE A 46 1.946 0.410 0.499 1.00 23.43 H new ATOM 690 N HIS A 47 0.855 5.457 -4.364 1.00 73.21 N ATOM 691 CA HIS A 47 0.135 6.495 -3.605 1.00 64.24 C ATOM 692 C HIS A 47 -1.125 5.884 -2.976 1.00 54.24 C ATOM 693 O HIS A 47 -1.628 4.854 -3.440 1.00 10.21 O ATOM 694 CB HIS A 47 -0.251 7.692 -4.517 1.00 51.11 C ATOM 695 CG HIS A 47 0.908 8.554 -4.952 1.00 33.33 C ATOM 696 ND1 HIS A 47 1.112 9.827 -4.471 1.00 44.10 N ATOM 697 CD2 HIS A 47 1.904 8.335 -5.843 1.00 13.15 C ATOM 698 CE1 HIS A 47 2.176 10.350 -5.041 1.00 10.14 C ATOM 699 NE2 HIS A 47 2.679 9.467 -5.877 1.00 44.24 N ATOM 0 H HIS A 47 0.446 5.261 -5.278 1.00 73.21 H new ATOM 0 HA HIS A 47 0.793 6.871 -2.821 1.00 64.24 H new ATOM 0 HB2 HIS A 47 -0.753 7.307 -5.405 1.00 51.11 H new ATOM 0 HB3 HIS A 47 -0.972 8.316 -3.988 1.00 51.11 H new ATOM 0 HD1 HIS A 47 0.527 10.294 -3.778 1.00 44.10 H new ATOM 0 HD2 HIS A 47 2.060 7.436 -6.420 1.00 13.15 H new ATOM 0 HE1 HIS A 47 2.570 11.338 -4.854 1.00 10.14 H new ATOM 708 N VAL A 48 -1.615 6.531 -1.915 1.00 13.14 N ATOM 709 CA VAL A 48 -2.879 6.205 -1.246 1.00 72.33 C ATOM 710 C VAL A 48 -3.696 7.495 -1.136 1.00 21.43 C ATOM 711 O VAL A 48 -3.207 8.459 -0.569 1.00 35.01 O ATOM 712 CB VAL A 48 -2.657 5.606 0.203 1.00 71.31 C ATOM 713 CG1 VAL A 48 -4.011 5.319 0.889 1.00 74.04 C ATOM 714 CG2 VAL A 48 -1.773 4.335 0.170 1.00 60.44 C ATOM 0 H VAL A 48 -1.130 7.319 -1.485 1.00 13.14 H new ATOM 0 HA VAL A 48 -3.397 5.446 -1.833 1.00 72.33 H new ATOM 0 HB VAL A 48 -2.125 6.355 0.790 1.00 71.31 H new ATOM 0 HG11 VAL A 48 -3.835 4.908 1.883 1.00 74.04 H new ATOM 0 HG12 VAL A 48 -4.579 6.245 0.974 1.00 74.04 H new ATOM 0 HG13 VAL A 48 -4.575 4.601 0.294 1.00 74.04 H new ATOM 0 HG21 VAL A 48 -1.644 3.955 1.183 1.00 60.44 H new ATOM 0 HG22 VAL A 48 -2.253 3.574 -0.445 1.00 60.44 H new ATOM 0 HG23 VAL A 48 -0.798 4.581 -0.252 1.00 60.44 H new ATOM 724 N PHE A 49 -4.928 7.495 -1.658 1.00 21.13 N ATOM 725 CA PHE A 49 -5.834 8.661 -1.612 1.00 31.52 C ATOM 726 C PHE A 49 -6.967 8.401 -0.617 1.00 4.15 C ATOM 727 O PHE A 49 -7.365 7.241 -0.439 1.00 71.13 O ATOM 728 CB PHE A 49 -6.426 8.964 -3.008 1.00 73.33 C ATOM 729 CG PHE A 49 -5.452 9.645 -3.954 1.00 74.34 C ATOM 730 CD1 PHE A 49 -4.595 8.900 -4.756 1.00 72.14 C ATOM 731 CD2 PHE A 49 -5.397 11.037 -4.037 1.00 14.11 C ATOM 732 CE1 PHE A 49 -3.714 9.518 -5.613 1.00 54.45 C ATOM 733 CE2 PHE A 49 -4.516 11.655 -4.894 1.00 2.54 C ATOM 734 CZ PHE A 49 -3.677 10.896 -5.682 1.00 23.04 C ATOM 0 H PHE A 49 -5.332 6.685 -2.128 1.00 21.13 H new ATOM 0 HA PHE A 49 -5.255 9.527 -1.290 1.00 31.52 H new ATOM 0 HB2 PHE A 49 -6.764 8.031 -3.459 1.00 73.33 H new ATOM 0 HB3 PHE A 49 -7.305 9.597 -2.890 1.00 73.33 H new ATOM 0 HD1 PHE A 49 -4.621 7.821 -4.706 1.00 72.14 H new ATOM 0 HD2 PHE A 49 -6.053 11.635 -3.422 1.00 14.11 H new ATOM 0 HE1 PHE A 49 -3.053 8.927 -6.230 1.00 54.45 H new ATOM 0 HE2 PHE A 49 -4.482 12.733 -4.949 1.00 2.54 H new ATOM 0 HZ PHE A 49 -2.988 11.382 -6.356 1.00 23.04 H new ATOM 744 N ASP A 50 -7.467 9.502 0.002 1.00 54.22 N ATOM 745 CA ASP A 50 -8.600 9.511 0.966 1.00 31.20 C ATOM 746 C ASP A 50 -8.466 8.358 1.983 1.00 31.43 C ATOM 747 O ASP A 50 -9.257 7.420 1.973 1.00 72.52 O ATOM 748 CB ASP A 50 -9.994 9.466 0.234 1.00 63.45 C ATOM 749 CG ASP A 50 -11.149 10.079 1.069 1.00 24.21 C ATOM 750 OD1 ASP A 50 -11.394 9.613 2.207 1.00 73.32 O ATOM 751 OD2 ASP A 50 -11.792 11.056 0.616 1.00 24.53 O ATOM 0 H ASP A 50 -7.083 10.433 -0.160 1.00 54.22 H new ATOM 0 HA ASP A 50 -8.556 10.453 1.513 1.00 31.20 H new ATOM 0 HB2 ASP A 50 -9.916 10.001 -0.712 1.00 63.45 H new ATOM 0 HB3 ASP A 50 -10.238 8.431 -0.004 1.00 63.45 H new ATOM 756 N GLN A 51 -7.419 8.437 2.815 1.00 64.33 N ATOM 757 CA GLN A 51 -7.029 7.361 3.757 1.00 1.23 C ATOM 758 C GLN A 51 -8.142 6.988 4.752 1.00 51.12 C ATOM 759 O GLN A 51 -8.110 5.904 5.329 1.00 54.00 O ATOM 760 CB GLN A 51 -5.738 7.755 4.503 1.00 51.13 C ATOM 761 CG GLN A 51 -4.529 8.015 3.574 1.00 53.04 C ATOM 762 CD GLN A 51 -3.303 8.549 4.306 1.00 14.43 C ATOM 763 OE1 GLN A 51 -2.605 9.420 3.799 1.00 22.12 O ATOM 764 NE2 GLN A 51 -2.996 7.999 5.470 1.00 20.34 N ATOM 0 H GLN A 51 -6.809 9.253 2.859 1.00 64.33 H new ATOM 0 HA GLN A 51 -6.849 6.468 3.159 1.00 1.23 H new ATOM 0 HB2 GLN A 51 -5.930 8.652 5.092 1.00 51.13 H new ATOM 0 HB3 GLN A 51 -5.480 6.962 5.205 1.00 51.13 H new ATOM 0 HG2 GLN A 51 -4.264 7.087 3.067 1.00 53.04 H new ATOM 0 HG3 GLN A 51 -4.821 8.728 2.802 1.00 53.04 H new ATOM 0 HE21 GLN A 51 -3.597 7.276 5.867 1.00 20.34 H new ATOM 0 HE22 GLN A 51 -2.159 8.298 5.970 1.00 20.34 H new ATOM 773 N GLY A 52 -9.107 7.902 4.962 1.00 32.15 N ATOM 774 CA GLY A 52 -10.289 7.630 5.780 1.00 10.25 C ATOM 775 C GLY A 52 -11.246 6.652 5.106 1.00 44.20 C ATOM 776 O GLY A 52 -11.701 5.695 5.738 1.00 34.13 O ATOM 0 H GLY A 52 -9.084 8.843 4.569 1.00 32.15 H new ATOM 0 HA2 GLY A 52 -9.977 7.225 6.742 1.00 10.25 H new ATOM 0 HA3 GLY A 52 -10.811 8.565 5.982 1.00 10.25 H new ATOM 780 N GLN A 53 -11.529 6.885 3.802 1.00 72.44 N ATOM 781 CA GLN A 53 -12.397 6.001 2.997 1.00 61.53 C ATOM 782 C GLN A 53 -11.680 4.666 2.748 1.00 72.41 C ATOM 783 O GLN A 53 -12.272 3.607 2.884 1.00 23.53 O ATOM 784 CB GLN A 53 -12.749 6.673 1.645 1.00 71.35 C ATOM 785 CG GLN A 53 -13.817 5.939 0.800 1.00 51.43 C ATOM 786 CD GLN A 53 -15.189 5.861 1.475 1.00 22.14 C ATOM 787 OE1 GLN A 53 -15.587 6.753 2.229 1.00 45.33 O ATOM 788 NE2 GLN A 53 -15.925 4.793 1.215 1.00 72.34 N ATOM 0 H GLN A 53 -11.164 7.685 3.285 1.00 72.44 H new ATOM 0 HA GLN A 53 -13.322 5.819 3.544 1.00 61.53 H new ATOM 0 HB2 GLN A 53 -13.099 7.686 1.842 1.00 71.35 H new ATOM 0 HB3 GLN A 53 -11.838 6.760 1.053 1.00 71.35 H new ATOM 0 HG2 GLN A 53 -13.922 6.448 -0.158 1.00 51.43 H new ATOM 0 HG3 GLN A 53 -13.468 4.928 0.588 1.00 51.43 H new ATOM 0 HE21 GLN A 53 -15.572 4.070 0.588 1.00 72.34 H new ATOM 0 HE22 GLN A 53 -16.846 4.692 1.642 1.00 72.34 H new ATOM 797 N PHE A 54 -10.388 4.768 2.392 1.00 3.12 N ATOM 798 CA PHE A 54 -9.467 3.634 2.197 1.00 21.14 C ATOM 799 C PHE A 54 -9.461 2.703 3.420 1.00 63.41 C ATOM 800 O PHE A 54 -9.637 1.495 3.294 1.00 34.14 O ATOM 801 CB PHE A 54 -8.043 4.209 1.904 1.00 14.44 C ATOM 802 CG PHE A 54 -6.899 3.198 1.781 1.00 51.12 C ATOM 803 CD1 PHE A 54 -6.171 2.791 2.906 1.00 71.12 C ATOM 804 CD2 PHE A 54 -6.526 2.678 0.542 1.00 63.32 C ATOM 805 CE1 PHE A 54 -5.124 1.899 2.794 1.00 62.12 C ATOM 806 CE2 PHE A 54 -5.476 1.783 0.438 1.00 60.34 C ATOM 807 CZ PHE A 54 -4.778 1.394 1.559 1.00 10.32 C ATOM 0 H PHE A 54 -9.941 5.670 2.227 1.00 3.12 H new ATOM 0 HA PHE A 54 -9.797 3.028 1.353 1.00 21.14 H new ATOM 0 HB2 PHE A 54 -8.092 4.780 0.977 1.00 14.44 H new ATOM 0 HB3 PHE A 54 -7.791 4.912 2.698 1.00 14.44 H new ATOM 0 HD1 PHE A 54 -6.433 3.182 3.878 1.00 71.12 H new ATOM 0 HD2 PHE A 54 -7.063 2.977 -0.346 1.00 63.32 H new ATOM 0 HE1 PHE A 54 -4.576 1.597 3.674 1.00 62.12 H new ATOM 0 HE2 PHE A 54 -5.202 1.387 -0.529 1.00 60.34 H new ATOM 0 HZ PHE A 54 -3.960 0.694 1.471 1.00 10.32 H new ATOM 817 N ALA A 55 -9.273 3.282 4.605 1.00 43.31 N ATOM 818 CA ALA A 55 -9.296 2.518 5.858 1.00 0.44 C ATOM 819 C ALA A 55 -10.654 1.809 6.067 1.00 25.14 C ATOM 820 O ALA A 55 -10.711 0.659 6.509 1.00 72.52 O ATOM 821 CB ALA A 55 -8.957 3.435 7.040 1.00 74.35 C ATOM 0 H ALA A 55 -9.102 4.280 4.727 1.00 43.31 H new ATOM 0 HA ALA A 55 -8.537 1.738 5.796 1.00 0.44 H new ATOM 0 HB1 ALA A 55 -8.977 2.859 7.965 1.00 74.35 H new ATOM 0 HB2 ALA A 55 -7.963 3.859 6.898 1.00 74.35 H new ATOM 0 HB3 ALA A 55 -9.690 4.240 7.098 1.00 74.35 H new ATOM 827 N LYS A 56 -11.726 2.501 5.668 1.00 63.43 N ATOM 828 CA LYS A 56 -13.117 2.062 5.848 1.00 0.44 C ATOM 829 C LYS A 56 -13.504 0.867 4.934 1.00 11.43 C ATOM 830 O LYS A 56 -14.084 -0.104 5.421 1.00 3.43 O ATOM 831 CB LYS A 56 -14.048 3.306 5.652 1.00 34.40 C ATOM 832 CG LYS A 56 -15.569 3.026 5.504 1.00 71.20 C ATOM 833 CD LYS A 56 -16.021 2.934 4.022 1.00 20.44 C ATOM 834 CE LYS A 56 -17.492 2.523 3.867 1.00 1.20 C ATOM 835 NZ LYS A 56 -18.428 3.532 4.437 1.00 23.25 N ATOM 0 H LYS A 56 -11.651 3.404 5.199 1.00 63.43 H new ATOM 0 HA LYS A 56 -13.241 1.671 6.858 1.00 0.44 H new ATOM 0 HB2 LYS A 56 -13.907 3.973 6.502 1.00 34.40 H new ATOM 0 HB3 LYS A 56 -13.714 3.844 4.765 1.00 34.40 H new ATOM 0 HG2 LYS A 56 -15.813 2.093 6.012 1.00 71.20 H new ATOM 0 HG3 LYS A 56 -16.130 3.817 6.002 1.00 71.20 H new ATOM 0 HD2 LYS A 56 -15.867 3.900 3.540 1.00 20.44 H new ATOM 0 HD3 LYS A 56 -15.391 2.213 3.500 1.00 20.44 H new ATOM 0 HE2 LYS A 56 -17.717 2.380 2.810 1.00 1.20 H new ATOM 0 HE3 LYS A 56 -17.652 1.564 4.360 1.00 1.20 H new ATOM 0 HZ1 LYS A 56 -19.408 3.209 4.308 1.00 23.25 H new ATOM 0 HZ2 LYS A 56 -18.234 3.651 5.452 1.00 23.25 H new ATOM 0 HZ3 LYS A 56 -18.297 4.442 3.950 1.00 23.25 H new ATOM 849 N GLU A 57 -13.213 0.946 3.622 1.00 64.34 N ATOM 850 CA GLU A 57 -13.688 -0.070 2.624 1.00 14.10 C ATOM 851 C GLU A 57 -12.575 -1.022 2.141 1.00 21.22 C ATOM 852 O GLU A 57 -12.821 -2.210 1.931 1.00 13.51 O ATOM 853 CB GLU A 57 -14.342 0.631 1.395 1.00 24.40 C ATOM 854 CG GLU A 57 -13.469 1.726 0.739 1.00 1.31 C ATOM 855 CD GLU A 57 -13.939 2.172 -0.652 1.00 61.54 C ATOM 856 OE1 GLU A 57 -15.091 2.638 -0.774 1.00 2.51 O ATOM 857 OE2 GLU A 57 -13.156 2.074 -1.628 1.00 21.50 O ATOM 0 H GLU A 57 -12.654 1.695 3.215 1.00 64.34 H new ATOM 0 HA GLU A 57 -14.427 -0.678 3.146 1.00 14.10 H new ATOM 0 HB2 GLU A 57 -14.578 -0.124 0.646 1.00 24.40 H new ATOM 0 HB3 GLU A 57 -15.287 1.076 1.707 1.00 24.40 H new ATOM 0 HG2 GLU A 57 -13.446 2.595 1.396 1.00 1.31 H new ATOM 0 HG3 GLU A 57 -12.446 1.358 0.661 1.00 1.31 H new ATOM 864 N VAL A 58 -11.363 -0.490 1.993 1.00 62.35 N ATOM 865 CA VAL A 58 -10.244 -1.175 1.315 1.00 0.23 C ATOM 866 C VAL A 58 -9.534 -2.173 2.256 1.00 24.11 C ATOM 867 O VAL A 58 -9.201 -3.311 1.857 1.00 52.12 O ATOM 868 CB VAL A 58 -9.223 -0.107 0.781 1.00 40.00 C ATOM 869 CG1 VAL A 58 -7.925 -0.752 0.304 1.00 5.43 C ATOM 870 CG2 VAL A 58 -9.858 0.775 -0.323 1.00 40.03 C ATOM 0 H VAL A 58 -11.119 0.437 2.341 1.00 62.35 H new ATOM 0 HA VAL A 58 -10.648 -1.746 0.479 1.00 0.23 H new ATOM 0 HB VAL A 58 -8.968 0.544 1.617 1.00 40.00 H new ATOM 0 HG11 VAL A 58 -7.246 0.020 -0.057 1.00 5.43 H new ATOM 0 HG12 VAL A 58 -7.459 -1.287 1.132 1.00 5.43 H new ATOM 0 HG13 VAL A 58 -8.142 -1.451 -0.504 1.00 5.43 H new ATOM 0 HG21 VAL A 58 -9.127 1.504 -0.672 1.00 40.03 H new ATOM 0 HG22 VAL A 58 -10.170 0.146 -1.157 1.00 40.03 H new ATOM 0 HG23 VAL A 58 -10.725 1.297 0.082 1.00 40.03 H new ATOM 880 N LEU A 59 -9.295 -1.738 3.499 1.00 44.42 N ATOM 881 CA LEU A 59 -8.594 -2.561 4.491 1.00 32.12 C ATOM 882 C LEU A 59 -9.414 -3.808 4.920 1.00 43.11 C ATOM 883 O LEU A 59 -8.832 -4.869 5.023 1.00 41.22 O ATOM 884 CB LEU A 59 -8.136 -1.717 5.708 1.00 21.11 C ATOM 885 CG LEU A 59 -7.081 -0.609 5.408 1.00 53.31 C ATOM 886 CD1 LEU A 59 -6.606 0.055 6.706 1.00 70.31 C ATOM 887 CD2 LEU A 59 -5.889 -1.164 4.594 1.00 23.54 C ATOM 0 H LEU A 59 -9.577 -0.820 3.842 1.00 44.42 H new ATOM 0 HA LEU A 59 -7.697 -2.943 4.004 1.00 32.12 H new ATOM 0 HB2 LEU A 59 -9.014 -1.246 6.150 1.00 21.11 H new ATOM 0 HB3 LEU A 59 -7.724 -2.391 6.459 1.00 21.11 H new ATOM 0 HG LEU A 59 -7.564 0.152 4.795 1.00 53.31 H new ATOM 0 HD11 LEU A 59 -5.870 0.825 6.473 1.00 70.31 H new ATOM 0 HD12 LEU A 59 -7.457 0.508 7.215 1.00 70.31 H new ATOM 0 HD13 LEU A 59 -6.153 -0.695 7.354 1.00 70.31 H new ATOM 0 HD21 LEU A 59 -5.174 -0.363 4.404 1.00 23.54 H new ATOM 0 HD22 LEU A 59 -5.402 -1.959 5.158 1.00 23.54 H new ATOM 0 HD23 LEU A 59 -6.250 -1.561 3.645 1.00 23.54 H new ATOM 899 N PRO A 60 -10.760 -3.731 5.200 1.00 13.21 N ATOM 900 CA PRO A 60 -11.583 -4.959 5.429 1.00 12.43 C ATOM 901 C PRO A 60 -11.818 -5.797 4.142 1.00 24.15 C ATOM 902 O PRO A 60 -12.351 -6.910 4.221 1.00 21.31 O ATOM 903 CB PRO A 60 -12.913 -4.403 5.993 1.00 2.41 C ATOM 904 CG PRO A 60 -12.995 -3.004 5.468 1.00 74.32 C ATOM 905 CD PRO A 60 -11.573 -2.498 5.409 1.00 13.54 C ATOM 0 HA PRO A 60 -11.082 -5.656 6.101 1.00 12.43 H new ATOM 0 HB2 PRO A 60 -13.763 -5.000 5.663 1.00 2.41 H new ATOM 0 HB3 PRO A 60 -12.917 -4.418 7.083 1.00 2.41 H new ATOM 0 HG2 PRO A 60 -13.458 -2.984 4.481 1.00 74.32 H new ATOM 0 HG3 PRO A 60 -13.605 -2.378 6.119 1.00 74.32 H new ATOM 0 HD2 PRO A 60 -11.436 -1.787 4.595 1.00 13.54 H new ATOM 0 HD3 PRO A 60 -11.293 -1.986 6.330 1.00 13.54 H new ATOM 913 N LYS A 61 -11.457 -5.241 2.965 1.00 64.00 N ATOM 914 CA LYS A 61 -11.546 -5.953 1.668 1.00 41.02 C ATOM 915 C LYS A 61 -10.398 -6.982 1.529 1.00 23.22 C ATOM 916 O LYS A 61 -10.640 -8.144 1.189 1.00 74.21 O ATOM 917 CB LYS A 61 -11.541 -4.922 0.500 1.00 40.30 C ATOM 918 CG LYS A 61 -11.728 -5.499 -0.929 1.00 32.21 C ATOM 919 CD LYS A 61 -11.976 -4.383 -1.983 1.00 71.51 C ATOM 920 CE LYS A 61 -12.165 -4.901 -3.429 1.00 64.31 C ATOM 921 NZ LYS A 61 -10.901 -5.396 -4.042 1.00 70.31 N ATOM 0 H LYS A 61 -11.097 -4.290 2.885 1.00 64.00 H new ATOM 0 HA LYS A 61 -12.483 -6.509 1.627 1.00 41.02 H new ATOM 0 HB2 LYS A 61 -12.333 -4.196 0.682 1.00 40.30 H new ATOM 0 HB3 LYS A 61 -10.597 -4.378 0.528 1.00 40.30 H new ATOM 0 HG2 LYS A 61 -10.842 -6.070 -1.208 1.00 32.21 H new ATOM 0 HG3 LYS A 61 -12.568 -6.193 -0.932 1.00 32.21 H new ATOM 0 HD2 LYS A 61 -12.862 -3.817 -1.694 1.00 71.51 H new ATOM 0 HD3 LYS A 61 -11.135 -3.690 -1.965 1.00 71.51 H new ATOM 0 HE2 LYS A 61 -12.900 -5.706 -3.427 1.00 64.31 H new ATOM 0 HE3 LYS A 61 -12.571 -4.099 -4.046 1.00 64.31 H new ATOM 0 HZ1 LYS A 61 -11.107 -6.216 -4.648 1.00 70.31 H new ATOM 0 HZ2 LYS A 61 -10.474 -4.640 -4.615 1.00 70.31 H new ATOM 0 HZ3 LYS A 61 -10.238 -5.678 -3.292 1.00 70.31 H new ATOM 935 N TYR A 62 -9.152 -6.546 1.792 1.00 50.55 N ATOM 936 CA TYR A 62 -7.953 -7.436 1.669 1.00 22.13 C ATOM 937 C TYR A 62 -7.426 -7.953 3.015 1.00 41.11 C ATOM 938 O TYR A 62 -6.932 -9.086 3.103 1.00 14.11 O ATOM 939 CB TYR A 62 -6.829 -6.718 0.881 1.00 14.00 C ATOM 940 CG TYR A 62 -7.125 -6.658 -0.619 1.00 51.24 C ATOM 941 CD1 TYR A 62 -7.916 -5.650 -1.159 1.00 2.21 C ATOM 942 CD2 TYR A 62 -6.637 -7.636 -1.489 1.00 74.15 C ATOM 943 CE1 TYR A 62 -8.202 -5.616 -2.505 1.00 51.23 C ATOM 944 CE2 TYR A 62 -6.926 -7.606 -2.829 1.00 32.43 C ATOM 945 CZ TYR A 62 -7.700 -6.594 -3.335 1.00 32.42 C ATOM 946 OH TYR A 62 -7.990 -6.571 -4.675 1.00 74.13 O ATOM 0 H TYR A 62 -8.937 -5.594 2.089 1.00 50.55 H new ATOM 0 HA TYR A 62 -8.282 -8.317 1.118 1.00 22.13 H new ATOM 0 HB2 TYR A 62 -6.706 -5.706 1.267 1.00 14.00 H new ATOM 0 HB3 TYR A 62 -5.885 -7.237 1.043 1.00 14.00 H new ATOM 0 HD1 TYR A 62 -8.312 -4.881 -0.512 1.00 2.21 H new ATOM 0 HD2 TYR A 62 -6.020 -8.432 -1.098 1.00 74.15 H new ATOM 0 HE1 TYR A 62 -8.818 -4.826 -2.909 1.00 51.23 H new ATOM 0 HE2 TYR A 62 -6.545 -8.376 -3.483 1.00 32.43 H new ATOM 0 HH TYR A 62 -8.311 -7.453 -4.955 1.00 74.13 H new ATOM 956 N PHE A 63 -7.518 -7.130 4.045 1.00 3.15 N ATOM 957 CA PHE A 63 -6.973 -7.435 5.388 1.00 0.51 C ATOM 958 C PHE A 63 -8.148 -7.677 6.362 1.00 52.20 C ATOM 959 O PHE A 63 -9.315 -7.656 5.942 1.00 1.22 O ATOM 960 CB PHE A 63 -6.046 -6.258 5.830 1.00 63.22 C ATOM 961 CG PHE A 63 -5.045 -5.836 4.745 1.00 32.04 C ATOM 962 CD1 PHE A 63 -3.906 -6.597 4.482 1.00 14.53 C ATOM 963 CD2 PHE A 63 -5.270 -4.702 3.956 1.00 24.41 C ATOM 964 CE1 PHE A 63 -3.027 -6.232 3.477 1.00 13.05 C ATOM 965 CE2 PHE A 63 -4.391 -4.345 2.949 1.00 13.34 C ATOM 966 CZ PHE A 63 -3.268 -5.110 2.711 1.00 2.31 C ATOM 0 H PHE A 63 -7.974 -6.219 3.989 1.00 3.15 H new ATOM 0 HA PHE A 63 -6.369 -8.342 5.381 1.00 0.51 H new ATOM 0 HB2 PHE A 63 -6.662 -5.400 6.100 1.00 63.22 H new ATOM 0 HB3 PHE A 63 -5.499 -6.552 6.726 1.00 63.22 H new ATOM 0 HD1 PHE A 63 -3.708 -7.481 5.069 1.00 14.53 H new ATOM 0 HD2 PHE A 63 -6.145 -4.095 4.136 1.00 24.41 H new ATOM 0 HE1 PHE A 63 -2.147 -6.829 3.291 1.00 13.05 H new ATOM 0 HE2 PHE A 63 -4.584 -3.468 2.349 1.00 13.34 H new ATOM 0 HZ PHE A 63 -2.579 -4.831 1.927 1.00 2.31 H new ATOM 976 N LYS A 64 -7.861 -7.922 7.653 1.00 70.25 N ATOM 977 CA LYS A 64 -8.896 -8.270 8.660 1.00 42.43 C ATOM 978 C LYS A 64 -9.069 -7.134 9.688 1.00 0.13 C ATOM 979 O LYS A 64 -9.338 -7.379 10.865 1.00 3.54 O ATOM 980 CB LYS A 64 -8.523 -9.616 9.364 1.00 42.02 C ATOM 981 CG LYS A 64 -8.375 -10.831 8.413 1.00 20.02 C ATOM 982 CD LYS A 64 -9.646 -11.159 7.573 1.00 52.12 C ATOM 983 CE LYS A 64 -10.816 -11.766 8.387 1.00 43.34 C ATOM 984 NZ LYS A 64 -11.475 -10.795 9.314 1.00 42.45 N ATOM 0 H LYS A 64 -6.915 -7.886 8.032 1.00 70.25 H new ATOM 0 HA LYS A 64 -9.851 -8.398 8.151 1.00 42.43 H new ATOM 0 HB2 LYS A 64 -7.586 -9.479 9.904 1.00 42.02 H new ATOM 0 HB3 LYS A 64 -9.288 -9.845 10.106 1.00 42.02 H new ATOM 0 HG2 LYS A 64 -7.545 -10.643 7.732 1.00 20.02 H new ATOM 0 HG3 LYS A 64 -8.111 -11.708 9.004 1.00 20.02 H new ATOM 0 HD2 LYS A 64 -9.992 -10.245 7.090 1.00 52.12 H new ATOM 0 HD3 LYS A 64 -9.372 -11.855 6.780 1.00 52.12 H new ATOM 0 HE2 LYS A 64 -11.562 -12.158 7.696 1.00 43.34 H new ATOM 0 HE3 LYS A 64 -10.443 -12.611 8.966 1.00 43.34 H new ATOM 0 HZ1 LYS A 64 -12.507 -10.921 9.273 1.00 42.45 H new ATOM 0 HZ2 LYS A 64 -11.144 -10.963 10.286 1.00 42.45 H new ATOM 0 HZ3 LYS A 64 -11.233 -9.824 9.029 1.00 42.45 H new ATOM 998 N HIS A 65 -8.990 -5.887 9.207 1.00 12.05 N ATOM 999 CA HIS A 65 -9.069 -4.679 10.061 1.00 13.24 C ATOM 1000 C HIS A 65 -9.487 -3.477 9.215 1.00 3.01 C ATOM 1001 O HIS A 65 -9.459 -3.547 7.989 1.00 53.22 O ATOM 1002 CB HIS A 65 -7.705 -4.390 10.758 1.00 13.21 C ATOM 1003 CG HIS A 65 -6.571 -4.097 9.793 1.00 1.33 C ATOM 1004 ND1 HIS A 65 -6.177 -2.823 9.437 1.00 75.44 N ATOM 1005 CD2 HIS A 65 -5.747 -4.932 9.114 1.00 55.11 C ATOM 1006 CE1 HIS A 65 -5.170 -2.895 8.587 1.00 22.33 C ATOM 1007 NE2 HIS A 65 -4.888 -4.160 8.372 1.00 63.44 N ATOM 0 H HIS A 65 -8.869 -5.679 8.216 1.00 12.05 H new ATOM 0 HA HIS A 65 -9.813 -4.857 10.837 1.00 13.24 H new ATOM 0 HB2 HIS A 65 -7.825 -3.541 11.431 1.00 13.21 H new ATOM 0 HB3 HIS A 65 -7.433 -5.248 11.373 1.00 13.21 H new ATOM 0 HD1 HIS A 65 -6.599 -1.959 9.778 1.00 75.44 H new ATOM 0 HD2 HIS A 65 -5.763 -6.011 9.150 1.00 55.11 H new ATOM 0 HE1 HIS A 65 -4.662 -2.053 8.142 1.00 22.33 H new ATOM 1016 N ASN A 66 -9.857 -2.372 9.884 1.00 11.45 N ATOM 1017 CA ASN A 66 -10.209 -1.096 9.216 1.00 20.11 C ATOM 1018 C ASN A 66 -9.289 0.049 9.701 1.00 23.20 C ATOM 1019 O ASN A 66 -9.346 1.151 9.168 1.00 54.23 O ATOM 1020 CB ASN A 66 -11.704 -0.707 9.439 1.00 13.04 C ATOM 1021 CG ASN A 66 -12.731 -1.722 8.919 1.00 31.00 C ATOM 1022 OD1 ASN A 66 -12.517 -2.933 8.947 1.00 11.05 O ATOM 1023 ND2 ASN A 66 -13.859 -1.235 8.426 1.00 74.52 N ATOM 0 H ASN A 66 -9.922 -2.332 10.901 1.00 11.45 H new ATOM 0 HA ASN A 66 -10.061 -1.248 8.147 1.00 20.11 H new ATOM 0 HB2 ASN A 66 -11.869 -0.562 10.507 1.00 13.04 H new ATOM 0 HB3 ASN A 66 -11.889 0.252 8.955 1.00 13.04 H new ATOM 0 HD21 ASN A 66 -14.571 -1.867 8.060 1.00 74.52 H new ATOM 0 HD22 ASN A 66 -14.016 -0.227 8.412 1.00 74.52 H new ATOM 1030 N ASN A 67 -8.452 -0.217 10.721 1.00 33.15 N ATOM 1031 CA ASN A 67 -7.501 0.780 11.270 1.00 2.41 C ATOM 1032 C ASN A 67 -6.267 0.892 10.353 1.00 15.22 C ATOM 1033 O ASN A 67 -5.544 -0.095 10.156 1.00 54.42 O ATOM 1034 CB ASN A 67 -7.073 0.374 12.709 1.00 23.03 C ATOM 1035 CG ASN A 67 -6.084 1.350 13.366 1.00 41.33 C ATOM 1036 OD1 ASN A 67 -6.089 2.550 13.092 1.00 44.54 O ATOM 1037 ND2 ASN A 67 -5.220 0.843 14.233 1.00 41.04 N ATOM 0 H ASN A 67 -8.412 -1.123 11.189 1.00 33.15 H new ATOM 0 HA ASN A 67 -7.992 1.752 11.315 1.00 2.41 H new ATOM 0 HB2 ASN A 67 -7.963 0.299 13.334 1.00 23.03 H new ATOM 0 HB3 ASN A 67 -6.622 -0.618 12.677 1.00 23.03 H new ATOM 0 HD21 ASN A 67 -4.540 1.451 14.690 1.00 41.04 H new ATOM 0 HD22 ASN A 67 -5.235 -0.155 14.444 1.00 41.04 H new ATOM 1044 N MET A 68 -6.016 2.105 9.816 1.00 54.31 N ATOM 1045 CA MET A 68 -4.904 2.330 8.864 1.00 41.34 C ATOM 1046 C MET A 68 -3.579 2.579 9.603 1.00 61.34 C ATOM 1047 O MET A 68 -2.510 2.406 9.023 1.00 71.21 O ATOM 1048 CB MET A 68 -5.195 3.477 7.848 1.00 30.31 C ATOM 1049 CG MET A 68 -4.153 3.562 6.726 1.00 12.24 C ATOM 1050 SD MET A 68 -4.445 4.893 5.568 1.00 35.11 S ATOM 1051 CE MET A 68 -3.092 4.599 4.441 1.00 15.34 C ATOM 0 H MET A 68 -6.564 2.940 10.023 1.00 54.31 H new ATOM 0 HA MET A 68 -4.811 1.412 8.283 1.00 41.34 H new ATOM 0 HB2 MET A 68 -6.181 3.325 7.410 1.00 30.31 H new ATOM 0 HB3 MET A 68 -5.226 4.428 8.381 1.00 30.31 H new ATOM 0 HG2 MET A 68 -3.165 3.689 7.169 1.00 12.24 H new ATOM 0 HG3 MET A 68 -4.140 2.617 6.183 1.00 12.24 H new ATOM 0 HE1 MET A 68 -2.891 5.505 3.869 1.00 15.34 H new ATOM 0 HE2 MET A 68 -2.202 4.321 5.006 1.00 15.34 H new ATOM 0 HE3 MET A 68 -3.356 3.791 3.759 1.00 15.34 H new ATOM 1061 N ALA A 69 -3.652 2.943 10.898 1.00 70.54 N ATOM 1062 CA ALA A 69 -2.459 3.099 11.759 1.00 43.32 C ATOM 1063 C ALA A 69 -1.600 1.809 11.755 1.00 14.33 C ATOM 1064 O ALA A 69 -0.363 1.863 11.692 1.00 70.51 O ATOM 1065 CB ALA A 69 -2.891 3.471 13.181 1.00 53.31 C ATOM 0 H ALA A 69 -4.532 3.136 11.376 1.00 70.54 H new ATOM 0 HA ALA A 69 -1.841 3.904 11.361 1.00 43.32 H new ATOM 0 HB1 ALA A 69 -2.009 3.585 13.811 1.00 53.31 H new ATOM 0 HB2 ALA A 69 -3.445 4.410 13.159 1.00 53.31 H new ATOM 0 HB3 ALA A 69 -3.527 2.684 13.586 1.00 53.31 H new ATOM 1071 N SER A 70 -2.300 0.658 11.756 1.00 53.33 N ATOM 1072 CA SER A 70 -1.683 -0.671 11.645 1.00 14.10 C ATOM 1073 C SER A 70 -1.071 -0.886 10.247 1.00 42.33 C ATOM 1074 O SER A 70 0.067 -1.341 10.144 1.00 20.42 O ATOM 1075 CB SER A 70 -2.727 -1.761 11.923 1.00 52.03 C ATOM 1076 OG SER A 70 -2.162 -3.062 11.816 1.00 23.30 O ATOM 0 H SER A 70 -3.317 0.628 11.835 1.00 53.33 H new ATOM 0 HA SER A 70 -0.884 -0.733 12.384 1.00 14.10 H new ATOM 0 HB2 SER A 70 -3.141 -1.624 12.922 1.00 52.03 H new ATOM 0 HB3 SER A 70 -3.554 -1.663 11.219 1.00 52.03 H new ATOM 0 HG SER A 70 -2.851 -3.734 12.000 1.00 23.30 H new ATOM 1082 N PHE A 71 -1.830 -0.500 9.189 1.00 52.22 N ATOM 1083 CA PHE A 71 -1.450 -0.709 7.767 1.00 43.33 C ATOM 1084 C PHE A 71 -0.111 -0.002 7.456 1.00 62.02 C ATOM 1085 O PHE A 71 0.815 -0.607 6.902 1.00 43.43 O ATOM 1086 CB PHE A 71 -2.594 -0.182 6.834 1.00 10.51 C ATOM 1087 CG PHE A 71 -2.258 -0.147 5.333 1.00 12.13 C ATOM 1088 CD1 PHE A 71 -2.339 -1.297 4.549 1.00 10.50 C ATOM 1089 CD2 PHE A 71 -1.843 1.037 4.709 1.00 12.34 C ATOM 1090 CE1 PHE A 71 -2.010 -1.273 3.206 1.00 64.13 C ATOM 1091 CE2 PHE A 71 -1.520 1.061 3.363 1.00 21.30 C ATOM 1092 CZ PHE A 71 -1.601 -0.097 2.613 1.00 22.11 C ATOM 0 H PHE A 71 -2.729 -0.032 9.299 1.00 52.22 H new ATOM 0 HA PHE A 71 -1.314 -1.775 7.584 1.00 43.33 H new ATOM 0 HB2 PHE A 71 -3.474 -0.809 6.977 1.00 10.51 H new ATOM 0 HB3 PHE A 71 -2.864 0.825 7.152 1.00 10.51 H new ATOM 0 HD1 PHE A 71 -2.665 -2.223 4.999 1.00 10.50 H new ATOM 0 HD2 PHE A 71 -1.774 1.946 5.288 1.00 12.34 H new ATOM 0 HE1 PHE A 71 -2.074 -2.178 2.620 1.00 64.13 H new ATOM 0 HE2 PHE A 71 -1.205 1.984 2.899 1.00 21.30 H new ATOM 0 HZ PHE A 71 -1.344 -0.081 1.564 1.00 22.11 H new ATOM 1102 N VAL A 72 -0.046 1.281 7.842 1.00 10.13 N ATOM 1103 CA VAL A 72 1.151 2.121 7.705 1.00 21.33 C ATOM 1104 C VAL A 72 2.323 1.556 8.530 1.00 22.40 C ATOM 1105 O VAL A 72 3.433 1.444 8.006 1.00 25.54 O ATOM 1106 CB VAL A 72 0.844 3.600 8.138 1.00 63.34 C ATOM 1107 CG1 VAL A 72 2.088 4.507 8.000 1.00 1.52 C ATOM 1108 CG2 VAL A 72 -0.345 4.171 7.331 1.00 13.02 C ATOM 0 H VAL A 72 -0.835 1.770 8.264 1.00 10.13 H new ATOM 0 HA VAL A 72 1.441 2.118 6.654 1.00 21.33 H new ATOM 0 HB VAL A 72 0.569 3.582 9.193 1.00 63.34 H new ATOM 0 HG11 VAL A 72 1.835 5.521 8.309 1.00 1.52 H new ATOM 0 HG12 VAL A 72 2.889 4.124 8.632 1.00 1.52 H new ATOM 0 HG13 VAL A 72 2.418 4.516 6.961 1.00 1.52 H new ATOM 0 HG21 VAL A 72 -0.540 5.196 7.647 1.00 13.02 H new ATOM 0 HG22 VAL A 72 -0.103 4.159 6.268 1.00 13.02 H new ATOM 0 HG23 VAL A 72 -1.231 3.562 7.508 1.00 13.02 H new ATOM 1118 N ARG A 73 2.053 1.165 9.807 1.00 21.30 N ATOM 1119 CA ARG A 73 3.088 0.613 10.720 1.00 21.44 C ATOM 1120 C ARG A 73 3.749 -0.646 10.129 1.00 71.42 C ATOM 1121 O ARG A 73 4.966 -0.833 10.272 1.00 43.24 O ATOM 1122 CB ARG A 73 2.509 0.303 12.132 1.00 13.01 C ATOM 1123 CG ARG A 73 3.530 -0.348 13.102 1.00 52.23 C ATOM 1124 CD ARG A 73 3.042 -0.431 14.556 1.00 64.04 C ATOM 1125 NE ARG A 73 4.049 -1.077 15.426 1.00 61.53 N ATOM 1126 CZ ARG A 73 5.148 -0.482 15.934 1.00 52.21 C ATOM 1127 NH1 ARG A 73 5.416 0.802 15.686 1.00 33.43 N ATOM 1128 NH2 ARG A 73 5.989 -1.188 16.680 1.00 14.51 N ATOM 0 H ARG A 73 1.125 1.223 10.225 1.00 21.30 H new ATOM 0 HA ARG A 73 3.851 1.384 10.829 1.00 21.44 H new ATOM 0 HB2 ARG A 73 2.142 1.229 12.575 1.00 13.01 H new ATOM 0 HB3 ARG A 73 1.651 -0.361 12.024 1.00 13.01 H new ATOM 0 HG2 ARG A 73 3.762 -1.353 12.749 1.00 52.23 H new ATOM 0 HG3 ARG A 73 4.459 0.222 13.073 1.00 52.23 H new ATOM 0 HD2 ARG A 73 2.827 0.571 14.927 1.00 64.04 H new ATOM 0 HD3 ARG A 73 2.109 -0.993 14.597 1.00 64.04 H new ATOM 0 HE ARG A 73 3.899 -2.058 15.662 1.00 61.53 H new ATOM 0 HH11 ARG A 73 4.785 1.351 15.103 1.00 33.43 H new ATOM 0 HH12 ARG A 73 6.252 1.234 16.079 1.00 33.43 H new ATOM 0 HH21 ARG A 73 5.802 -2.173 16.866 1.00 14.51 H new ATOM 0 HH22 ARG A 73 6.822 -0.745 17.068 1.00 14.51 H new ATOM 1142 N GLN A 74 2.943 -1.475 9.429 1.00 10.52 N ATOM 1143 CA GLN A 74 3.454 -2.667 8.740 1.00 65.41 C ATOM 1144 C GLN A 74 4.465 -2.250 7.668 1.00 54.13 C ATOM 1145 O GLN A 74 5.586 -2.752 7.650 1.00 3.32 O ATOM 1146 CB GLN A 74 2.322 -3.494 8.082 1.00 71.03 C ATOM 1147 CG GLN A 74 1.253 -4.055 9.038 1.00 31.20 C ATOM 1148 CD GLN A 74 1.822 -4.829 10.222 1.00 35.43 C ATOM 1149 OE1 GLN A 74 2.080 -6.031 10.135 1.00 40.11 O ATOM 1150 NE2 GLN A 74 1.987 -4.154 11.348 1.00 71.23 N ATOM 0 H GLN A 74 1.937 -1.335 9.330 1.00 10.52 H new ATOM 0 HA GLN A 74 3.933 -3.296 9.490 1.00 65.41 H new ATOM 0 HB2 GLN A 74 1.825 -2.868 7.341 1.00 71.03 H new ATOM 0 HB3 GLN A 74 2.774 -4.328 7.544 1.00 71.03 H new ATOM 0 HG2 GLN A 74 0.648 -3.230 9.414 1.00 31.20 H new ATOM 0 HG3 GLN A 74 0.586 -4.709 8.477 1.00 31.20 H new ATOM 0 HE21 GLN A 74 1.763 -3.160 11.384 1.00 71.23 H new ATOM 0 HE22 GLN A 74 2.338 -4.628 12.180 1.00 71.23 H new ATOM 1159 N LEU A 75 4.060 -1.284 6.816 1.00 44.51 N ATOM 1160 CA LEU A 75 4.878 -0.789 5.696 1.00 1.43 C ATOM 1161 C LEU A 75 6.189 -0.139 6.181 1.00 65.25 C ATOM 1162 O LEU A 75 7.209 -0.273 5.518 1.00 43.05 O ATOM 1163 CB LEU A 75 4.045 0.180 4.819 1.00 41.12 C ATOM 1164 CG LEU A 75 2.865 -0.495 4.051 1.00 1.11 C ATOM 1165 CD1 LEU A 75 1.972 0.540 3.365 1.00 3.23 C ATOM 1166 CD2 LEU A 75 3.385 -1.527 3.029 1.00 11.12 C ATOM 0 H LEU A 75 3.152 -0.826 6.889 1.00 44.51 H new ATOM 0 HA LEU A 75 5.169 -1.643 5.084 1.00 1.43 H new ATOM 0 HB2 LEU A 75 3.644 0.971 5.453 1.00 41.12 H new ATOM 0 HB3 LEU A 75 4.707 0.656 4.096 1.00 41.12 H new ATOM 0 HG LEU A 75 2.258 -1.020 4.789 1.00 1.11 H new ATOM 0 HD11 LEU A 75 1.162 0.032 2.841 1.00 3.23 H new ATOM 0 HD12 LEU A 75 1.554 1.213 4.114 1.00 3.23 H new ATOM 0 HD13 LEU A 75 2.563 1.114 2.651 1.00 3.23 H new ATOM 0 HD21 LEU A 75 2.541 -1.981 2.509 1.00 11.12 H new ATOM 0 HD22 LEU A 75 4.031 -1.029 2.306 1.00 11.12 H new ATOM 0 HD23 LEU A 75 3.950 -2.301 3.549 1.00 11.12 H new ATOM 1178 N ASN A 76 6.155 0.519 7.363 1.00 5.24 N ATOM 1179 CA ASN A 76 7.380 1.006 8.055 1.00 63.15 C ATOM 1180 C ASN A 76 8.362 -0.155 8.316 1.00 12.03 C ATOM 1181 O ASN A 76 9.561 -0.041 8.040 1.00 23.13 O ATOM 1182 CB ASN A 76 7.047 1.722 9.402 1.00 44.25 C ATOM 1183 CG ASN A 76 6.531 3.154 9.223 1.00 63.12 C ATOM 1184 OD1 ASN A 76 7.311 4.104 9.186 1.00 51.13 O ATOM 1185 ND2 ASN A 76 5.224 3.325 9.130 1.00 71.21 N ATOM 0 H ASN A 76 5.290 0.727 7.862 1.00 5.24 H new ATOM 0 HA ASN A 76 7.848 1.733 7.391 1.00 63.15 H new ATOM 0 HB2 ASN A 76 6.298 1.139 9.939 1.00 44.25 H new ATOM 0 HB3 ASN A 76 7.942 1.742 10.024 1.00 44.25 H new ATOM 0 HD21 ASN A 76 4.839 4.264 9.024 1.00 71.21 H new ATOM 0 HD22 ASN A 76 4.600 2.518 9.164 1.00 71.21 H new ATOM 1192 N MET A 77 7.824 -1.280 8.822 1.00 14.53 N ATOM 1193 CA MET A 77 8.610 -2.504 9.098 1.00 13.03 C ATOM 1194 C MET A 77 9.083 -3.174 7.781 1.00 14.23 C ATOM 1195 O MET A 77 10.152 -3.789 7.741 1.00 40.44 O ATOM 1196 CB MET A 77 7.786 -3.500 9.958 1.00 4.13 C ATOM 1197 CG MET A 77 7.335 -2.958 11.321 1.00 33.01 C ATOM 1198 SD MET A 77 6.643 -4.239 12.397 1.00 4.25 S ATOM 1199 CE MET A 77 5.397 -5.005 11.349 1.00 53.03 C ATOM 0 H MET A 77 6.834 -1.369 9.052 1.00 14.53 H new ATOM 0 HA MET A 77 9.497 -2.215 9.662 1.00 13.03 H new ATOM 0 HB2 MET A 77 6.904 -3.801 9.393 1.00 4.13 H new ATOM 0 HB3 MET A 77 8.383 -4.398 10.120 1.00 4.13 H new ATOM 0 HG2 MET A 77 8.185 -2.492 11.820 1.00 33.01 H new ATOM 0 HG3 MET A 77 6.589 -2.178 11.167 1.00 33.01 H new ATOM 0 HE1 MET A 77 4.890 -5.795 11.904 1.00 53.03 H new ATOM 0 HE2 MET A 77 4.669 -4.254 11.041 1.00 53.03 H new ATOM 0 HE3 MET A 77 5.875 -5.431 10.467 1.00 53.03 H new ATOM 1209 N TYR A 78 8.303 -2.992 6.695 1.00 1.21 N ATOM 1210 CA TYR A 78 8.656 -3.489 5.345 1.00 12.12 C ATOM 1211 C TYR A 78 9.622 -2.518 4.634 1.00 22.20 C ATOM 1212 O TYR A 78 9.985 -2.732 3.472 1.00 53.44 O ATOM 1213 CB TYR A 78 7.375 -3.714 4.491 1.00 55.42 C ATOM 1214 CG TYR A 78 6.479 -4.872 4.960 1.00 53.34 C ATOM 1215 CD1 TYR A 78 6.951 -6.182 4.981 1.00 41.02 C ATOM 1216 CD2 TYR A 78 5.168 -4.658 5.385 1.00 54.24 C ATOM 1217 CE1 TYR A 78 6.151 -7.222 5.407 1.00 33.43 C ATOM 1218 CE2 TYR A 78 4.371 -5.695 5.813 1.00 71.24 C ATOM 1219 CZ TYR A 78 4.865 -6.973 5.828 1.00 52.35 C ATOM 1220 OH TYR A 78 4.066 -8.006 6.274 1.00 1.41 O ATOM 0 H TYR A 78 7.412 -2.497 6.727 1.00 1.21 H new ATOM 0 HA TYR A 78 9.165 -4.446 5.460 1.00 12.12 H new ATOM 0 HB2 TYR A 78 6.788 -2.796 4.494 1.00 55.42 H new ATOM 0 HB3 TYR A 78 7.672 -3.899 3.459 1.00 55.42 H new ATOM 0 HD1 TYR A 78 7.961 -6.387 4.658 1.00 41.02 H new ATOM 0 HD2 TYR A 78 4.769 -3.655 5.378 1.00 54.24 H new ATOM 0 HE1 TYR A 78 6.534 -8.232 5.410 1.00 33.43 H new ATOM 0 HE2 TYR A 78 3.359 -5.502 6.136 1.00 71.24 H new ATOM 0 HH TYR A 78 3.293 -7.639 6.751 1.00 1.41 H new ATOM 1230 N GLY A 79 10.023 -1.438 5.334 1.00 65.21 N ATOM 1231 CA GLY A 79 11.071 -0.530 4.863 1.00 44.10 C ATOM 1232 C GLY A 79 10.568 0.614 3.993 1.00 73.35 C ATOM 1233 O GLY A 79 11.378 1.424 3.537 1.00 32.35 O ATOM 0 H GLY A 79 9.627 -1.177 6.237 1.00 65.21 H new ATOM 0 HA2 GLY A 79 11.589 -0.113 5.727 1.00 44.10 H new ATOM 0 HA3 GLY A 79 11.805 -1.104 4.298 1.00 44.10 H new ATOM 1237 N PHE A 80 9.241 0.702 3.778 1.00 50.41 N ATOM 1238 CA PHE A 80 8.621 1.745 2.931 1.00 0.33 C ATOM 1239 C PHE A 80 8.691 3.095 3.664 1.00 42.41 C ATOM 1240 O PHE A 80 8.500 3.149 4.889 1.00 41.24 O ATOM 1241 CB PHE A 80 7.137 1.400 2.602 1.00 64.42 C ATOM 1242 CG PHE A 80 6.928 0.220 1.643 1.00 62.22 C ATOM 1243 CD1 PHE A 80 7.149 -1.095 2.052 1.00 31.14 C ATOM 1244 CD2 PHE A 80 6.486 0.428 0.332 1.00 24.14 C ATOM 1245 CE1 PHE A 80 6.937 -2.160 1.188 1.00 35.45 C ATOM 1246 CE2 PHE A 80 6.279 -0.635 -0.528 1.00 72.32 C ATOM 1247 CZ PHE A 80 6.502 -1.928 -0.100 1.00 32.32 C ATOM 0 H PHE A 80 8.567 0.053 4.185 1.00 50.41 H new ATOM 0 HA PHE A 80 9.168 1.799 1.990 1.00 0.33 H new ATOM 0 HB2 PHE A 80 6.618 1.183 3.535 1.00 64.42 H new ATOM 0 HB3 PHE A 80 6.664 2.283 2.172 1.00 64.42 H new ATOM 0 HD1 PHE A 80 7.491 -1.288 3.058 1.00 31.14 H new ATOM 0 HD2 PHE A 80 6.304 1.435 -0.014 1.00 24.14 H new ATOM 0 HE1 PHE A 80 7.113 -3.171 1.524 1.00 35.45 H new ATOM 0 HE2 PHE A 80 5.942 -0.453 -1.538 1.00 72.32 H new ATOM 0 HZ PHE A 80 6.336 -2.757 -0.772 1.00 32.32 H new ATOM 1257 N ARG A 81 8.930 4.184 2.917 1.00 71.32 N ATOM 1258 CA ARG A 81 9.089 5.523 3.507 1.00 34.40 C ATOM 1259 C ARG A 81 7.781 6.314 3.349 1.00 75.00 C ATOM 1260 O ARG A 81 7.195 6.346 2.262 1.00 41.15 O ATOM 1261 CB ARG A 81 10.275 6.291 2.847 1.00 32.43 C ATOM 1262 CG ARG A 81 10.526 7.706 3.437 1.00 53.43 C ATOM 1263 CD ARG A 81 11.755 8.425 2.832 1.00 61.15 C ATOM 1264 NE ARG A 81 11.912 9.786 3.384 1.00 54.01 N ATOM 1265 CZ ARG A 81 12.861 10.681 3.044 1.00 74.34 C ATOM 1266 NH1 ARG A 81 13.799 10.390 2.140 1.00 11.44 N ATOM 1267 NH2 ARG A 81 12.850 11.885 3.611 1.00 4.40 N ATOM 0 H ARG A 81 9.018 4.164 1.901 1.00 71.32 H new ATOM 0 HA ARG A 81 9.316 5.412 4.567 1.00 34.40 H new ATOM 0 HB2 ARG A 81 11.183 5.698 2.957 1.00 32.43 H new ATOM 0 HB3 ARG A 81 10.082 6.384 1.778 1.00 32.43 H new ATOM 0 HG2 ARG A 81 9.640 8.320 3.273 1.00 53.43 H new ATOM 0 HG3 ARG A 81 10.661 7.621 4.515 1.00 53.43 H new ATOM 0 HD2 ARG A 81 12.654 7.843 3.034 1.00 61.15 H new ATOM 0 HD3 ARG A 81 11.648 8.481 1.749 1.00 61.15 H new ATOM 0 HE ARG A 81 11.237 10.077 4.091 1.00 54.01 H new ATOM 0 HH11 ARG A 81 13.808 9.474 1.691 1.00 11.44 H new ATOM 0 HH12 ARG A 81 14.507 11.083 1.899 1.00 11.44 H new ATOM 0 HH21 ARG A 81 12.130 12.121 4.293 1.00 4.40 H new ATOM 0 HH22 ARG A 81 13.562 12.572 3.363 1.00 4.40 H new ATOM 1281 N LYS A 82 7.335 6.918 4.463 1.00 24.03 N ATOM 1282 CA LYS A 82 6.187 7.828 4.535 1.00 52.23 C ATOM 1283 C LYS A 82 6.536 9.148 3.817 1.00 74.23 C ATOM 1284 O LYS A 82 7.372 9.911 4.308 1.00 64.15 O ATOM 1285 CB LYS A 82 5.891 8.081 6.050 1.00 42.54 C ATOM 1286 CG LYS A 82 4.847 9.168 6.375 1.00 52.41 C ATOM 1287 CD LYS A 82 3.414 8.764 5.987 1.00 54.42 C ATOM 1288 CE LYS A 82 2.418 9.914 6.167 1.00 44.40 C ATOM 1289 NZ LYS A 82 1.021 9.498 5.903 1.00 20.33 N ATOM 0 H LYS A 82 7.782 6.779 5.369 1.00 24.03 H new ATOM 0 HA LYS A 82 5.309 7.403 4.049 1.00 52.23 H new ATOM 0 HB2 LYS A 82 5.556 7.143 6.493 1.00 42.54 H new ATOM 0 HB3 LYS A 82 6.827 8.349 6.540 1.00 42.54 H new ATOM 0 HG2 LYS A 82 4.880 9.387 7.442 1.00 52.41 H new ATOM 0 HG3 LYS A 82 5.113 10.087 5.852 1.00 52.41 H new ATOM 0 HD2 LYS A 82 3.400 8.434 4.948 1.00 54.42 H new ATOM 0 HD3 LYS A 82 3.100 7.916 6.596 1.00 54.42 H new ATOM 0 HE2 LYS A 82 2.493 10.300 7.183 1.00 44.40 H new ATOM 0 HE3 LYS A 82 2.684 10.730 5.495 1.00 44.40 H new ATOM 0 HZ1 LYS A 82 0.379 10.291 6.103 1.00 20.33 H new ATOM 0 HZ2 LYS A 82 0.925 9.218 4.906 1.00 20.33 H new ATOM 0 HZ3 LYS A 82 0.777 8.693 6.514 1.00 20.33 H new ATOM 1303 N VAL A 83 5.942 9.391 2.635 1.00 65.53 N ATOM 1304 CA VAL A 83 6.161 10.630 1.866 1.00 15.10 C ATOM 1305 C VAL A 83 4.844 11.419 1.852 1.00 5.44 C ATOM 1306 O VAL A 83 3.852 10.983 1.249 1.00 62.24 O ATOM 1307 CB VAL A 83 6.651 10.329 0.400 1.00 24.24 C ATOM 1308 CG1 VAL A 83 6.981 11.624 -0.370 1.00 10.13 C ATOM 1309 CG2 VAL A 83 7.861 9.373 0.414 1.00 71.43 C ATOM 0 H VAL A 83 5.299 8.738 2.187 1.00 65.53 H new ATOM 0 HA VAL A 83 6.948 11.216 2.340 1.00 15.10 H new ATOM 0 HB VAL A 83 5.831 9.839 -0.126 1.00 24.24 H new ATOM 0 HG11 VAL A 83 7.315 11.374 -1.377 1.00 10.13 H new ATOM 0 HG12 VAL A 83 6.090 12.250 -0.429 1.00 10.13 H new ATOM 0 HG13 VAL A 83 7.771 12.165 0.150 1.00 10.13 H new ATOM 0 HG21 VAL A 83 8.183 9.179 -0.609 1.00 71.43 H new ATOM 0 HG22 VAL A 83 8.679 9.830 0.971 1.00 71.43 H new ATOM 0 HG23 VAL A 83 7.577 8.434 0.890 1.00 71.43 H new ATOM 1319 N VAL A 84 4.844 12.562 2.551 1.00 24.41 N ATOM 1320 CA VAL A 84 3.643 13.380 2.785 1.00 63.11 C ATOM 1321 C VAL A 84 3.546 14.453 1.687 1.00 52.21 C ATOM 1322 O VAL A 84 4.285 15.446 1.726 1.00 3.05 O ATOM 1323 CB VAL A 84 3.696 14.074 4.207 1.00 52.13 C ATOM 1324 CG1 VAL A 84 2.333 14.686 4.599 1.00 23.41 C ATOM 1325 CG2 VAL A 84 4.202 13.101 5.292 1.00 52.04 C ATOM 0 H VAL A 84 5.686 12.950 2.975 1.00 24.41 H new ATOM 0 HA VAL A 84 2.766 12.733 2.757 1.00 63.11 H new ATOM 0 HB VAL A 84 4.412 14.893 4.135 1.00 52.13 H new ATOM 0 HG11 VAL A 84 2.412 15.152 5.581 1.00 23.41 H new ATOM 0 HG12 VAL A 84 2.046 15.437 3.863 1.00 23.41 H new ATOM 0 HG13 VAL A 84 1.577 13.901 4.630 1.00 23.41 H new ATOM 0 HG21 VAL A 84 4.226 13.611 6.255 1.00 52.04 H new ATOM 0 HG22 VAL A 84 3.533 12.243 5.352 1.00 52.04 H new ATOM 0 HG23 VAL A 84 5.206 12.761 5.037 1.00 52.04 H new ATOM 1335 N HIS A 85 2.682 14.228 0.682 1.00 3.44 N ATOM 1336 CA HIS A 85 2.465 15.199 -0.412 1.00 14.23 C ATOM 1337 C HIS A 85 1.326 16.142 -0.032 1.00 63.31 C ATOM 1338 O HIS A 85 1.528 17.358 0.108 1.00 71.53 O ATOM 1339 CB HIS A 85 2.170 14.474 -1.742 1.00 64.21 C ATOM 1340 CG HIS A 85 3.302 13.608 -2.228 1.00 65.24 C ATOM 1341 ND1 HIS A 85 4.341 14.099 -2.989 1.00 60.24 N ATOM 1342 CD2 HIS A 85 3.555 12.287 -2.066 1.00 72.33 C ATOM 1343 CE1 HIS A 85 5.174 13.126 -3.275 1.00 4.10 C ATOM 1344 NE2 HIS A 85 4.723 12.020 -2.728 1.00 13.22 N ATOM 0 H HIS A 85 2.120 13.381 0.602 1.00 3.44 H new ATOM 0 HA HIS A 85 3.373 15.784 -0.558 1.00 14.23 H new ATOM 0 HB2 HIS A 85 1.280 13.857 -1.619 1.00 64.21 H new ATOM 0 HB3 HIS A 85 1.939 15.216 -2.506 1.00 64.21 H new ATOM 0 HD2 HIS A 85 2.950 11.579 -1.519 1.00 72.33 H new ATOM 0 HE1 HIS A 85 6.077 13.219 -3.860 1.00 4.10 H new ATOM 0 HE2 HIS A 85 5.172 11.106 -2.787 1.00 13.22 H new ATOM 1353 N ILE A 86 0.123 15.571 0.138 1.00 4.25 N ATOM 1354 CA ILE A 86 -0.993 16.273 0.773 1.00 0.12 C ATOM 1355 C ILE A 86 -0.723 16.295 2.279 1.00 60.44 C ATOM 1356 O ILE A 86 -0.846 15.268 2.965 1.00 42.34 O ATOM 1357 CB ILE A 86 -2.390 15.611 0.465 1.00 35.24 C ATOM 1358 CG1 ILE A 86 -2.784 15.790 -1.039 1.00 50.15 C ATOM 1359 CG2 ILE A 86 -3.506 16.153 1.401 1.00 34.52 C ATOM 1360 CD1 ILE A 86 -2.998 17.229 -1.494 1.00 61.40 C ATOM 0 H ILE A 86 -0.098 14.620 -0.159 1.00 4.25 H new ATOM 0 HA ILE A 86 -1.053 17.283 0.368 1.00 0.12 H new ATOM 0 HB ILE A 86 -2.289 14.544 0.662 1.00 35.24 H new ATOM 0 HG12 ILE A 86 -2.004 15.344 -1.656 1.00 50.15 H new ATOM 0 HG13 ILE A 86 -3.699 15.228 -1.226 1.00 50.15 H new ATOM 0 HG21 ILE A 86 -4.452 15.671 1.156 1.00 34.52 H new ATOM 0 HG22 ILE A 86 -3.247 15.938 2.438 1.00 34.52 H new ATOM 0 HG23 ILE A 86 -3.602 17.230 1.267 1.00 34.52 H new ATOM 0 HD11 ILE A 86 -3.267 17.240 -2.550 1.00 61.40 H new ATOM 0 HD12 ILE A 86 -3.801 17.680 -0.910 1.00 61.40 H new ATOM 0 HD13 ILE A 86 -2.080 17.797 -1.347 1.00 61.40 H new ATOM 1372 N GLU A 87 -0.251 17.450 2.746 1.00 34.03 N ATOM 1373 CA GLU A 87 -0.028 17.711 4.170 1.00 45.43 C ATOM 1374 C GLU A 87 -1.343 18.225 4.776 1.00 73.11 C ATOM 1375 O GLU A 87 -1.935 19.173 4.244 1.00 62.32 O ATOM 1376 CB GLU A 87 1.108 18.754 4.353 1.00 13.30 C ATOM 1377 CG GLU A 87 2.432 18.370 3.661 1.00 10.32 C ATOM 1378 CD GLU A 87 3.527 19.440 3.794 1.00 4.24 C ATOM 1379 OE1 GLU A 87 4.281 19.425 4.790 1.00 71.41 O ATOM 1380 OE2 GLU A 87 3.649 20.301 2.893 1.00 24.21 O ATOM 0 H GLU A 87 -0.010 18.237 2.144 1.00 34.03 H new ATOM 0 HA GLU A 87 0.278 16.796 4.678 1.00 45.43 H new ATOM 0 HB2 GLU A 87 0.771 19.714 3.962 1.00 13.30 H new ATOM 0 HB3 GLU A 87 1.293 18.890 5.418 1.00 13.30 H new ATOM 0 HG2 GLU A 87 2.796 17.434 4.085 1.00 10.32 H new ATOM 0 HG3 GLU A 87 2.240 18.187 2.604 1.00 10.32 H new ATOM 1387 N GLN A 88 -1.800 17.586 5.864 1.00 64.14 N ATOM 1388 CA GLN A 88 -3.074 17.943 6.523 1.00 1.52 C ATOM 1389 C GLN A 88 -2.917 19.172 7.429 1.00 42.21 C ATOM 1390 O GLN A 88 -2.149 19.155 8.400 1.00 2.23 O ATOM 1391 CB GLN A 88 -3.655 16.737 7.320 1.00 33.22 C ATOM 1392 CG GLN A 88 -4.229 15.588 6.458 1.00 52.21 C ATOM 1393 CD GLN A 88 -5.425 15.982 5.565 1.00 31.00 C ATOM 1394 OE1 GLN A 88 -5.494 17.073 4.996 1.00 2.42 O ATOM 1395 NE2 GLN A 88 -6.413 15.122 5.489 1.00 5.04 N ATOM 0 H GLN A 88 -1.305 16.814 6.311 1.00 64.14 H new ATOM 0 HA GLN A 88 -3.783 18.201 5.736 1.00 1.52 H new ATOM 0 HB2 GLN A 88 -2.869 16.332 7.958 1.00 33.22 H new ATOM 0 HB3 GLN A 88 -4.443 17.104 7.978 1.00 33.22 H new ATOM 0 HG2 GLN A 88 -3.434 15.197 5.824 1.00 52.21 H new ATOM 0 HG3 GLN A 88 -4.538 14.777 7.118 1.00 52.21 H new ATOM 0 HE21 GLN A 88 -6.344 14.222 5.964 1.00 5.04 H new ATOM 0 HE22 GLN A 88 -7.250 15.353 4.954 1.00 5.04 H new ATOM 1404 N GLY A 89 -3.652 20.230 7.073 1.00 64.24 N ATOM 1405 CA GLY A 89 -3.705 21.454 7.855 1.00 65.11 C ATOM 1406 C GLY A 89 -4.582 22.501 7.192 1.00 21.00 C ATOM 1407 O GLY A 89 -5.364 22.188 6.286 1.00 14.22 O ATOM 0 H GLY A 89 -4.226 20.255 6.230 1.00 64.24 H new ATOM 0 HA2 GLY A 89 -4.089 21.234 8.851 1.00 65.11 H new ATOM 0 HA3 GLY A 89 -2.697 21.850 7.982 1.00 65.11 H new ATOM 1411 N GLY A 90 -4.435 23.749 7.638 1.00 5.15 N ATOM 1412 CA GLY A 90 -5.121 24.896 7.032 1.00 23.13 C ATOM 1413 C GLY A 90 -4.341 25.429 5.833 1.00 64.13 C ATOM 1414 O GLY A 90 -3.954 26.604 5.799 1.00 41.01 O ATOM 0 H GLY A 90 -3.839 23.995 8.428 1.00 5.15 H new ATOM 0 HA2 GLY A 90 -6.122 24.601 6.717 1.00 23.13 H new ATOM 0 HA3 GLY A 90 -5.240 25.686 7.773 1.00 23.13 H new ATOM 1418 N LEU A 91 -4.097 24.543 4.843 1.00 34.40 N ATOM 1419 CA LEU A 91 -3.252 24.829 3.667 1.00 64.10 C ATOM 1420 C LEU A 91 -4.120 25.071 2.419 1.00 1.43 C ATOM 1421 O LEU A 91 -5.358 25.040 2.494 1.00 74.10 O ATOM 1422 CB LEU A 91 -2.272 23.637 3.429 1.00 70.35 C ATOM 1423 CG LEU A 91 -1.402 23.198 4.652 1.00 53.43 C ATOM 1424 CD1 LEU A 91 -0.417 22.086 4.250 1.00 74.20 C ATOM 1425 CD2 LEU A 91 -0.656 24.391 5.293 1.00 72.31 C ATOM 0 H LEU A 91 -4.486 23.600 4.839 1.00 34.40 H new ATOM 0 HA LEU A 91 -2.676 25.735 3.856 1.00 64.10 H new ATOM 0 HB2 LEU A 91 -2.854 22.777 3.097 1.00 70.35 H new ATOM 0 HB3 LEU A 91 -1.602 23.903 2.611 1.00 70.35 H new ATOM 0 HG LEU A 91 -2.082 22.802 5.407 1.00 53.43 H new ATOM 0 HD11 LEU A 91 0.178 21.796 5.116 1.00 74.20 H new ATOM 0 HD12 LEU A 91 -0.973 21.222 3.886 1.00 74.20 H new ATOM 0 HD13 LEU A 91 0.243 22.451 3.463 1.00 74.20 H new ATOM 0 HD21 LEU A 91 -0.065 24.039 6.138 1.00 72.31 H new ATOM 0 HD22 LEU A 91 0.003 24.847 4.554 1.00 72.31 H new ATOM 0 HD23 LEU A 91 -1.380 25.129 5.639 1.00 72.31 H new ATOM 1437 N VAL A 92 -3.449 25.325 1.279 1.00 73.44 N ATOM 1438 CA VAL A 92 -4.096 25.442 -0.041 1.00 0.45 C ATOM 1439 C VAL A 92 -4.397 24.030 -0.605 1.00 42.32 C ATOM 1440 O VAL A 92 -5.355 23.843 -1.352 1.00 1.23 O ATOM 1441 CB VAL A 92 -3.201 26.271 -1.052 1.00 21.05 C ATOM 1442 CG1 VAL A 92 -1.832 25.590 -1.304 1.00 75.41 C ATOM 1443 CG2 VAL A 92 -3.953 26.554 -2.380 1.00 40.13 C ATOM 0 H VAL A 92 -2.438 25.455 1.248 1.00 73.44 H new ATOM 0 HA VAL A 92 -5.034 25.983 0.083 1.00 0.45 H new ATOM 0 HB VAL A 92 -2.996 27.233 -0.583 1.00 21.05 H new ATOM 0 HG11 VAL A 92 -1.250 26.191 -2.003 1.00 75.41 H new ATOM 0 HG12 VAL A 92 -1.290 25.502 -0.362 1.00 75.41 H new ATOM 0 HG13 VAL A 92 -1.991 24.597 -1.725 1.00 75.41 H new ATOM 0 HG21 VAL A 92 -3.308 27.124 -3.049 1.00 40.13 H new ATOM 0 HG22 VAL A 92 -4.223 25.610 -2.854 1.00 40.13 H new ATOM 0 HG23 VAL A 92 -4.857 27.127 -2.171 1.00 40.13 H new ATOM 1453 N LYS A 93 -3.562 23.042 -0.207 1.00 31.14 N ATOM 1454 CA LYS A 93 -3.704 21.625 -0.611 1.00 23.10 C ATOM 1455 C LYS A 93 -5.034 21.043 -0.079 1.00 12.02 C ATOM 1456 O LYS A 93 -5.325 21.214 1.108 1.00 40.00 O ATOM 1457 CB LYS A 93 -2.514 20.796 -0.055 1.00 13.02 C ATOM 1458 CG LYS A 93 -1.139 21.197 -0.623 1.00 41.21 C ATOM 1459 CD LYS A 93 0.029 20.427 0.041 1.00 21.44 C ATOM 1460 CE LYS A 93 1.386 20.762 -0.597 1.00 1.14 C ATOM 1461 NZ LYS A 93 2.522 20.120 0.120 1.00 22.02 N ATOM 0 H LYS A 93 -2.765 23.208 0.408 1.00 31.14 H new ATOM 0 HA LYS A 93 -3.706 21.572 -1.700 1.00 23.10 H new ATOM 0 HB2 LYS A 93 -2.490 20.900 1.030 1.00 13.02 H new ATOM 0 HB3 LYS A 93 -2.689 19.742 -0.270 1.00 13.02 H new ATOM 0 HG2 LYS A 93 -1.126 21.013 -1.697 1.00 41.21 H new ATOM 0 HG3 LYS A 93 -0.990 22.267 -0.482 1.00 41.21 H new ATOM 0 HD2 LYS A 93 0.061 20.666 1.104 1.00 21.44 H new ATOM 0 HD3 LYS A 93 -0.153 19.355 -0.039 1.00 21.44 H new ATOM 0 HE2 LYS A 93 1.386 20.437 -1.637 1.00 1.14 H new ATOM 0 HE3 LYS A 93 1.526 21.843 -0.601 1.00 1.14 H new ATOM 0 HZ1 LYS A 93 3.404 20.291 -0.404 1.00 22.02 H new ATOM 0 HZ2 LYS A 93 2.603 20.524 1.075 1.00 22.02 H new ATOM 0 HZ3 LYS A 93 2.354 19.096 0.191 1.00 22.02 H new ATOM 1475 N PRO A 94 -5.848 20.333 -0.934 1.00 33.35 N ATOM 1476 CA PRO A 94 -7.144 19.747 -0.507 1.00 61.41 C ATOM 1477 C PRO A 94 -6.919 18.570 0.463 1.00 1.43 C ATOM 1478 O PRO A 94 -5.884 17.902 0.393 1.00 70.24 O ATOM 1479 CB PRO A 94 -7.783 19.291 -1.847 1.00 72.34 C ATOM 1480 CG PRO A 94 -6.613 18.993 -2.735 1.00 44.42 C ATOM 1481 CD PRO A 94 -5.555 20.014 -2.359 1.00 72.21 C ATOM 0 HA PRO A 94 -7.781 20.442 0.040 1.00 61.41 H new ATOM 0 HB2 PRO A 94 -8.411 18.411 -1.709 1.00 72.34 H new ATOM 0 HB3 PRO A 94 -8.416 20.071 -2.271 1.00 72.34 H new ATOM 0 HG2 PRO A 94 -6.251 17.976 -2.581 1.00 44.42 H new ATOM 0 HG3 PRO A 94 -6.886 19.078 -3.787 1.00 44.42 H new ATOM 0 HD2 PRO A 94 -4.550 19.609 -2.478 1.00 72.21 H new ATOM 0 HD3 PRO A 94 -5.617 20.902 -2.987 1.00 72.21 H new ATOM 1489 N GLU A 95 -7.900 18.298 1.335 1.00 30.22 N ATOM 1490 CA GLU A 95 -7.724 17.366 2.471 1.00 53.13 C ATOM 1491 C GLU A 95 -7.707 15.873 2.051 1.00 55.52 C ATOM 1492 O GLU A 95 -7.728 14.998 2.923 1.00 13.13 O ATOM 1493 CB GLU A 95 -8.814 17.605 3.557 1.00 71.12 C ATOM 1494 CG GLU A 95 -10.251 17.222 3.136 1.00 42.22 C ATOM 1495 CD GLU A 95 -11.247 17.264 4.307 1.00 34.54 C ATOM 1496 OE1 GLU A 95 -11.814 18.339 4.589 1.00 5.41 O ATOM 1497 OE2 GLU A 95 -11.448 16.226 4.966 1.00 35.24 O ATOM 0 H GLU A 95 -8.831 18.710 1.279 1.00 30.22 H new ATOM 0 HA GLU A 95 -6.740 17.584 2.886 1.00 53.13 H new ATOM 0 HB2 GLU A 95 -8.549 17.036 4.448 1.00 71.12 H new ATOM 0 HB3 GLU A 95 -8.802 18.658 3.837 1.00 71.12 H new ATOM 0 HG2 GLU A 95 -10.589 17.902 2.353 1.00 42.22 H new ATOM 0 HG3 GLU A 95 -10.244 16.220 2.707 1.00 42.22 H new ATOM 1504 N ARG A 96 -7.675 15.582 0.729 1.00 55.35 N ATOM 1505 CA ARG A 96 -7.580 14.198 0.214 1.00 42.52 C ATOM 1506 C ARG A 96 -6.217 13.565 0.609 1.00 60.50 C ATOM 1507 O ARG A 96 -5.222 13.694 -0.106 1.00 74.54 O ATOM 1508 CB ARG A 96 -7.831 14.155 -1.331 1.00 55.52 C ATOM 1509 CG ARG A 96 -6.863 15.000 -2.195 1.00 72.51 C ATOM 1510 CD ARG A 96 -7.082 14.806 -3.706 1.00 75.10 C ATOM 1511 NE ARG A 96 -6.040 15.483 -4.505 1.00 25.23 N ATOM 1512 CZ ARG A 96 -6.157 15.875 -5.786 1.00 74.44 C ATOM 1513 NH1 ARG A 96 -7.289 15.680 -6.467 1.00 31.01 N ATOM 1514 NH2 ARG A 96 -5.126 16.455 -6.387 1.00 12.11 N ATOM 0 H ARG A 96 -7.714 16.292 -0.002 1.00 55.35 H new ATOM 0 HA ARG A 96 -8.364 13.597 0.676 1.00 42.52 H new ATOM 0 HB2 ARG A 96 -7.771 13.118 -1.661 1.00 55.52 H new ATOM 0 HB3 ARG A 96 -8.849 14.493 -1.524 1.00 55.52 H new ATOM 0 HG2 ARG A 96 -6.989 16.054 -1.947 1.00 72.51 H new ATOM 0 HG3 ARG A 96 -5.836 14.735 -1.945 1.00 72.51 H new ATOM 0 HD2 ARG A 96 -7.083 13.741 -3.939 1.00 75.10 H new ATOM 0 HD3 ARG A 96 -8.062 15.194 -3.984 1.00 75.10 H new ATOM 0 HE ARG A 96 -5.150 15.670 -4.043 1.00 25.23 H new ATOM 0 HH11 ARG A 96 -8.084 15.227 -6.016 1.00 31.01 H new ATOM 0 HH12 ARG A 96 -7.359 15.984 -7.438 1.00 31.01 H new ATOM 0 HH21 ARG A 96 -4.254 16.600 -5.878 1.00 12.11 H new ATOM 0 HH22 ARG A 96 -5.205 16.756 -7.358 1.00 12.11 H new ATOM 1528 N ASP A 97 -6.204 12.966 1.818 1.00 64.23 N ATOM 1529 CA ASP A 97 -5.028 12.305 2.425 1.00 25.30 C ATOM 1530 C ASP A 97 -4.235 11.475 1.399 1.00 71.20 C ATOM 1531 O ASP A 97 -4.717 10.434 0.936 1.00 2.13 O ATOM 1532 CB ASP A 97 -5.463 11.384 3.591 1.00 15.21 C ATOM 1533 CG ASP A 97 -6.036 12.107 4.806 1.00 51.34 C ATOM 1534 OD1 ASP A 97 -7.237 12.431 4.806 1.00 22.11 O ATOM 1535 OD2 ASP A 97 -5.295 12.339 5.783 1.00 43.33 O ATOM 0 H ASP A 97 -7.031 12.927 2.414 1.00 64.23 H new ATOM 0 HA ASP A 97 -4.381 13.098 2.799 1.00 25.30 H new ATOM 0 HB2 ASP A 97 -6.209 10.682 3.220 1.00 15.21 H new ATOM 0 HB3 ASP A 97 -4.602 10.796 3.910 1.00 15.21 H new ATOM 1540 N ASP A 98 -3.025 11.955 1.043 1.00 63.51 N ATOM 1541 CA ASP A 98 -2.156 11.303 0.041 1.00 14.42 C ATOM 1542 C ASP A 98 -0.817 10.930 0.678 1.00 24.11 C ATOM 1543 O ASP A 98 -0.054 11.810 1.112 1.00 2.15 O ATOM 1544 CB ASP A 98 -1.928 12.193 -1.208 1.00 53.33 C ATOM 1545 CG ASP A 98 -1.020 11.521 -2.269 1.00 31.13 C ATOM 1546 OD1 ASP A 98 -1.516 10.690 -3.060 1.00 4.21 O ATOM 1547 OD2 ASP A 98 0.205 11.802 -2.309 1.00 34.13 O ATOM 0 H ASP A 98 -2.624 12.804 1.441 1.00 63.51 H new ATOM 0 HA ASP A 98 -2.665 10.400 -0.297 1.00 14.42 H new ATOM 0 HB2 ASP A 98 -2.891 12.431 -1.659 1.00 53.33 H new ATOM 0 HB3 ASP A 98 -1.479 13.137 -0.898 1.00 53.33 H new ATOM 1552 N THR A 99 -0.552 9.617 0.741 1.00 2.21 N ATOM 1553 CA THR A 99 0.732 9.069 1.176 1.00 1.13 C ATOM 1554 C THR A 99 1.351 8.272 0.032 1.00 4.02 C ATOM 1555 O THR A 99 0.693 7.431 -0.567 1.00 63.12 O ATOM 1556 CB THR A 99 0.594 8.130 2.410 1.00 41.33 C ATOM 1557 OG1 THR A 99 -0.051 8.829 3.469 1.00 11.33 O ATOM 1558 CG2 THR A 99 1.965 7.634 2.909 1.00 74.42 C ATOM 0 H THR A 99 -1.233 8.902 0.488 1.00 2.21 H new ATOM 0 HA THR A 99 1.362 9.912 1.462 1.00 1.13 H new ATOM 0 HB THR A 99 0.006 7.265 2.102 1.00 41.33 H new ATOM 0 HG1 THR A 99 -0.998 8.952 3.251 1.00 11.33 H new ATOM 0 HG21 THR A 99 1.824 6.982 3.771 1.00 74.42 H new ATOM 0 HG22 THR A 99 2.464 7.081 2.113 1.00 74.42 H new ATOM 0 HG23 THR A 99 2.578 8.488 3.197 1.00 74.42 H new ATOM 1566 N GLU A 100 2.624 8.532 -0.246 1.00 54.41 N ATOM 1567 CA GLU A 100 3.407 7.750 -1.196 1.00 51.33 C ATOM 1568 C GLU A 100 4.363 6.866 -0.389 1.00 34.41 C ATOM 1569 O GLU A 100 5.214 7.382 0.342 1.00 71.15 O ATOM 1570 CB GLU A 100 4.160 8.692 -2.155 1.00 45.15 C ATOM 1571 CG GLU A 100 4.997 7.986 -3.243 1.00 43.33 C ATOM 1572 CD GLU A 100 5.762 8.976 -4.134 1.00 43.42 C ATOM 1573 OE1 GLU A 100 6.584 9.740 -3.590 1.00 1.54 O ATOM 1574 OE2 GLU A 100 5.528 9.020 -5.365 1.00 4.20 O ATOM 0 H GLU A 100 3.145 9.296 0.184 1.00 54.41 H new ATOM 0 HA GLU A 100 2.768 7.117 -1.812 1.00 51.33 H new ATOM 0 HB2 GLU A 100 3.435 9.344 -2.642 1.00 45.15 H new ATOM 0 HB3 GLU A 100 4.820 9.331 -1.568 1.00 45.15 H new ATOM 0 HG2 GLU A 100 5.706 7.308 -2.768 1.00 43.33 H new ATOM 0 HG3 GLU A 100 4.340 7.377 -3.864 1.00 43.33 H new ATOM 1581 N PHE A 101 4.160 5.546 -0.446 1.00 14.11 N ATOM 1582 CA PHE A 101 5.068 4.576 0.170 1.00 45.14 C ATOM 1583 C PHE A 101 6.032 4.075 -0.909 1.00 1.14 C ATOM 1584 O PHE A 101 5.599 3.485 -1.908 1.00 22.10 O ATOM 1585 CB PHE A 101 4.280 3.390 0.783 1.00 70.41 C ATOM 1586 CG PHE A 101 3.429 3.735 2.000 1.00 55.13 C ATOM 1587 CD1 PHE A 101 4.025 3.912 3.251 1.00 45.42 C ATOM 1588 CD2 PHE A 101 2.036 3.854 1.908 1.00 14.41 C ATOM 1589 CE1 PHE A 101 3.260 4.194 4.364 1.00 71.43 C ATOM 1590 CE2 PHE A 101 1.273 4.138 3.024 1.00 11.53 C ATOM 1591 CZ PHE A 101 1.887 4.309 4.252 1.00 51.44 C ATOM 0 H PHE A 101 3.363 5.121 -0.920 1.00 14.11 H new ATOM 0 HA PHE A 101 5.621 5.053 0.979 1.00 45.14 H new ATOM 0 HB2 PHE A 101 3.632 2.969 0.014 1.00 70.41 H new ATOM 0 HB3 PHE A 101 4.988 2.611 1.064 1.00 70.41 H new ATOM 0 HD1 PHE A 101 5.097 3.827 3.348 1.00 45.42 H new ATOM 0 HD2 PHE A 101 1.552 3.722 0.952 1.00 14.41 H new ATOM 0 HE1 PHE A 101 3.735 4.325 5.325 1.00 71.43 H new ATOM 0 HE2 PHE A 101 0.200 4.226 2.938 1.00 11.53 H new ATOM 0 HZ PHE A 101 1.292 4.533 5.125 1.00 51.44 H new ATOM 1601 N GLN A 102 7.331 4.317 -0.697 1.00 2.23 N ATOM 1602 CA GLN A 102 8.391 3.992 -1.671 1.00 22.22 C ATOM 1603 C GLN A 102 9.335 2.923 -1.103 1.00 42.51 C ATOM 1604 O GLN A 102 9.663 2.947 0.092 1.00 3.15 O ATOM 1605 CB GLN A 102 9.172 5.278 -2.066 1.00 43.13 C ATOM 1606 CG GLN A 102 9.752 6.080 -0.881 1.00 13.33 C ATOM 1607 CD GLN A 102 10.682 7.224 -1.295 1.00 41.41 C ATOM 1608 OE1 GLN A 102 11.336 7.179 -2.339 1.00 42.00 O ATOM 1609 NE2 GLN A 102 10.778 8.245 -0.462 1.00 21.31 N ATOM 0 H GLN A 102 7.683 4.746 0.159 1.00 2.23 H new ATOM 0 HA GLN A 102 7.929 3.586 -2.571 1.00 22.22 H new ATOM 0 HB2 GLN A 102 9.989 4.999 -2.731 1.00 43.13 H new ATOM 0 HB3 GLN A 102 8.507 5.928 -2.634 1.00 43.13 H new ATOM 0 HG2 GLN A 102 8.929 6.489 -0.296 1.00 13.33 H new ATOM 0 HG3 GLN A 102 10.299 5.399 -0.229 1.00 13.33 H new ATOM 0 HE21 GLN A 102 10.226 8.257 0.395 1.00 21.31 H new ATOM 0 HE22 GLN A 102 11.405 9.021 -0.676 1.00 21.31 H new ATOM 1618 N HIS A 103 9.756 1.983 -1.972 1.00 42.44 N ATOM 1619 CA HIS A 103 10.673 0.891 -1.600 1.00 0.21 C ATOM 1620 C HIS A 103 11.362 0.345 -2.872 1.00 44.40 C ATOM 1621 O HIS A 103 10.677 0.092 -3.862 1.00 13.22 O ATOM 1622 CB HIS A 103 9.893 -0.237 -0.863 1.00 11.44 C ATOM 1623 CG HIS A 103 10.751 -1.206 -0.111 1.00 43.02 C ATOM 1624 ND1 HIS A 103 11.410 -1.062 1.058 1.00 54.05 N flip ATOM 1625 CD2 HIS A 103 11.028 -2.484 -0.544 1.00 1.32 C flip ATOM 1626 CE1 HIS A 103 12.064 -2.230 1.305 1.00 44.53 C flip ATOM 1627 NE2 HIS A 103 11.823 -3.069 0.332 1.00 62.45 N flip ATOM 0 H HIS A 103 9.469 1.961 -2.951 1.00 42.44 H new ATOM 0 HA HIS A 103 11.437 1.271 -0.922 1.00 0.21 H new ATOM 0 HB2 HIS A 103 9.191 0.221 -0.166 1.00 11.44 H new ATOM 0 HB3 HIS A 103 9.302 -0.788 -1.594 1.00 11.44 H new ATOM 0 HD2 HIS A 103 10.655 -2.934 -1.452 1.00 1.32 H new ATOM 0 HE1 HIS A 103 12.683 -2.431 2.167 1.00 44.53 H new ATOM 0 HE2 HIS A 103 12.189 -4.019 0.262 1.00 62.45 H new ATOM 1636 N PRO A 104 12.724 0.124 -2.864 1.00 75.14 N ATOM 1637 CA PRO A 104 13.479 -0.332 -4.073 1.00 75.43 C ATOM 1638 C PRO A 104 13.073 -1.746 -4.538 1.00 4.34 C ATOM 1639 O PRO A 104 13.163 -2.071 -5.726 1.00 14.54 O ATOM 1640 CB PRO A 104 14.954 -0.310 -3.600 1.00 25.41 C ATOM 1641 CG PRO A 104 14.872 -0.466 -2.111 1.00 71.44 C ATOM 1642 CD PRO A 104 13.644 0.311 -1.700 1.00 54.12 C ATOM 0 HA PRO A 104 13.283 0.304 -4.936 1.00 75.43 H new ATOM 0 HB2 PRO A 104 15.528 -1.118 -4.053 1.00 25.41 H new ATOM 0 HB3 PRO A 104 15.445 0.623 -3.875 1.00 25.41 H new ATOM 0 HG2 PRO A 104 14.787 -1.515 -1.829 1.00 71.44 H new ATOM 0 HG3 PRO A 104 15.766 -0.076 -1.624 1.00 71.44 H new ATOM 0 HD2 PRO A 104 13.212 -0.076 -0.777 1.00 54.12 H new ATOM 0 HD3 PRO A 104 13.870 1.363 -1.529 1.00 54.12 H new ATOM 1650 N CYS A 105 12.621 -2.581 -3.585 1.00 74.21 N ATOM 1651 CA CYS A 105 12.210 -3.972 -3.866 1.00 23.22 C ATOM 1652 C CYS A 105 10.686 -4.056 -4.066 1.00 55.20 C ATOM 1653 O CYS A 105 10.093 -5.122 -3.925 1.00 62.33 O ATOM 1654 CB CYS A 105 12.685 -4.893 -2.722 1.00 12.34 C ATOM 1655 SG CYS A 105 14.434 -4.694 -2.320 1.00 61.25 S ATOM 0 H CYS A 105 12.530 -2.315 -2.605 1.00 74.21 H new ATOM 0 HA CYS A 105 12.677 -4.307 -4.792 1.00 23.22 H new ATOM 0 HB2 CYS A 105 12.090 -4.690 -1.832 1.00 12.34 H new ATOM 0 HB3 CYS A 105 12.500 -5.930 -3.000 1.00 12.34 H new ATOM 0 HG CYS A 105 14.751 -5.500 -1.350 1.00 61.25 H new ATOM 1661 N PHE A 106 10.056 -2.916 -4.379 1.00 44.25 N ATOM 1662 CA PHE A 106 8.657 -2.858 -4.814 1.00 73.53 C ATOM 1663 C PHE A 106 8.614 -2.079 -6.137 1.00 10.44 C ATOM 1664 O PHE A 106 8.742 -0.849 -6.140 1.00 11.24 O ATOM 1665 CB PHE A 106 7.767 -2.179 -3.728 1.00 74.34 C ATOM 1666 CG PHE A 106 6.264 -2.149 -4.051 1.00 32.23 C ATOM 1667 CD1 PHE A 106 5.425 -3.199 -3.659 1.00 1.23 C ATOM 1668 CD2 PHE A 106 5.686 -1.073 -4.743 1.00 52.22 C ATOM 1669 CE1 PHE A 106 4.069 -3.170 -3.943 1.00 50.13 C ATOM 1670 CE2 PHE A 106 4.333 -1.053 -5.028 1.00 73.02 C ATOM 1671 CZ PHE A 106 3.525 -2.100 -4.627 1.00 41.41 C ATOM 0 H PHE A 106 10.507 -2.002 -4.337 1.00 44.25 H new ATOM 0 HA PHE A 106 8.261 -3.863 -4.960 1.00 73.53 H new ATOM 0 HB2 PHE A 106 7.910 -2.702 -2.782 1.00 74.34 H new ATOM 0 HB3 PHE A 106 8.113 -1.156 -3.583 1.00 74.34 H new ATOM 0 HD1 PHE A 106 5.840 -4.043 -3.128 1.00 1.23 H new ATOM 0 HD2 PHE A 106 6.308 -0.248 -5.058 1.00 52.22 H new ATOM 0 HE1 PHE A 106 3.436 -3.986 -3.629 1.00 50.13 H new ATOM 0 HE2 PHE A 106 3.907 -0.218 -5.565 1.00 73.02 H new ATOM 0 HZ PHE A 106 2.468 -2.082 -4.848 1.00 41.41 H new ATOM 1681 N LEU A 107 8.511 -2.809 -7.259 1.00 12.55 N ATOM 1682 CA LEU A 107 8.332 -2.212 -8.599 1.00 54.31 C ATOM 1683 C LEU A 107 6.888 -2.477 -9.089 1.00 42.14 C ATOM 1684 O LEU A 107 6.171 -3.263 -8.476 1.00 60.44 O ATOM 1685 CB LEU A 107 9.395 -2.764 -9.584 1.00 22.53 C ATOM 1686 CG LEU A 107 10.895 -2.599 -9.158 1.00 54.43 C ATOM 1687 CD1 LEU A 107 11.848 -3.162 -10.236 1.00 71.43 C ATOM 1688 CD2 LEU A 107 11.244 -1.132 -8.827 1.00 12.15 C ATOM 0 H LEU A 107 8.549 -3.828 -7.267 1.00 12.55 H new ATOM 0 HA LEU A 107 8.478 -1.133 -8.547 1.00 54.31 H new ATOM 0 HB2 LEU A 107 9.199 -3.825 -9.738 1.00 22.53 H new ATOM 0 HB3 LEU A 107 9.257 -2.271 -10.546 1.00 22.53 H new ATOM 0 HG LEU A 107 11.032 -3.180 -8.246 1.00 54.43 H new ATOM 0 HD11 LEU A 107 12.881 -3.033 -9.912 1.00 71.43 H new ATOM 0 HD12 LEU A 107 11.644 -4.222 -10.384 1.00 71.43 H new ATOM 0 HD13 LEU A 107 11.693 -2.628 -11.174 1.00 71.43 H new ATOM 0 HD21 LEU A 107 12.292 -1.064 -8.537 1.00 12.15 H new ATOM 0 HD22 LEU A 107 11.069 -0.510 -9.705 1.00 12.15 H new ATOM 0 HD23 LEU A 107 10.617 -0.785 -8.006 1.00 12.15 H new ATOM 1700 N ARG A 108 6.492 -1.831 -10.207 1.00 73.12 N ATOM 1701 CA ARG A 108 5.077 -1.779 -10.672 1.00 30.22 C ATOM 1702 C ARG A 108 4.487 -3.164 -11.054 1.00 5.22 C ATOM 1703 O ARG A 108 3.278 -3.391 -10.894 1.00 54.15 O ATOM 1704 CB ARG A 108 4.912 -0.789 -11.874 1.00 51.31 C ATOM 1705 CG ARG A 108 5.468 -1.260 -13.251 1.00 12.43 C ATOM 1706 CD ARG A 108 7.010 -1.333 -13.331 1.00 44.54 C ATOM 1707 NE ARG A 108 7.468 -1.828 -14.643 1.00 71.20 N ATOM 1708 CZ ARG A 108 8.623 -1.493 -15.251 1.00 1.04 C ATOM 1709 NH1 ARG A 108 9.480 -0.653 -14.679 1.00 10.24 N ATOM 1710 NH2 ARG A 108 8.917 -2.013 -16.434 1.00 64.43 N ATOM 0 H ARG A 108 7.138 -1.330 -10.816 1.00 73.12 H new ATOM 0 HA ARG A 108 4.509 -1.419 -9.814 1.00 30.22 H new ATOM 0 HB2 ARG A 108 3.850 -0.572 -11.992 1.00 51.31 H new ATOM 0 HB3 ARG A 108 5.402 0.149 -11.612 1.00 51.31 H new ATOM 0 HG2 ARG A 108 5.059 -2.245 -13.476 1.00 12.43 H new ATOM 0 HG3 ARG A 108 5.109 -0.581 -14.025 1.00 12.43 H new ATOM 0 HD2 ARG A 108 7.431 -0.344 -13.149 1.00 44.54 H new ATOM 0 HD3 ARG A 108 7.384 -1.988 -12.545 1.00 44.54 H new ATOM 0 HE ARG A 108 6.857 -2.481 -15.133 1.00 71.20 H new ATOM 0 HH11 ARG A 108 9.268 -0.251 -13.766 1.00 10.24 H new ATOM 0 HH12 ARG A 108 10.350 -0.410 -15.153 1.00 10.24 H new ATOM 0 HH21 ARG A 108 8.270 -2.664 -16.880 1.00 64.43 H new ATOM 0 HH22 ARG A 108 9.790 -1.763 -16.898 1.00 64.43 H new ATOM 1724 N GLY A 109 5.339 -4.078 -11.557 1.00 33.15 N ATOM 1725 CA GLY A 109 4.888 -5.388 -12.055 1.00 2.41 C ATOM 1726 C GLY A 109 5.817 -6.529 -11.672 1.00 60.12 C ATOM 1727 O GLY A 109 5.777 -7.593 -12.283 1.00 15.44 O ATOM 0 H GLY A 109 6.346 -3.931 -11.628 1.00 33.15 H new ATOM 0 HA2 GLY A 109 3.891 -5.594 -11.665 1.00 2.41 H new ATOM 0 HA3 GLY A 109 4.803 -5.347 -13.141 1.00 2.41 H new ATOM 1731 N GLN A 110 6.661 -6.307 -10.653 1.00 10.22 N ATOM 1732 CA GLN A 110 7.666 -7.287 -10.205 1.00 14.52 C ATOM 1733 C GLN A 110 7.242 -7.899 -8.848 1.00 62.33 C ATOM 1734 O GLN A 110 7.716 -7.486 -7.783 1.00 23.43 O ATOM 1735 CB GLN A 110 9.081 -6.628 -10.143 1.00 2.31 C ATOM 1736 CG GLN A 110 9.759 -6.346 -11.519 1.00 35.22 C ATOM 1737 CD GLN A 110 9.308 -5.064 -12.256 1.00 43.25 C ATOM 1738 OE1 GLN A 110 8.193 -4.573 -12.107 1.00 1.23 O ATOM 1739 NE2 GLN A 110 10.189 -4.506 -13.065 1.00 32.42 N ATOM 0 H GLN A 110 6.667 -5.441 -10.114 1.00 10.22 H new ATOM 0 HA GLN A 110 7.725 -8.102 -10.927 1.00 14.52 H new ATOM 0 HB2 GLN A 110 8.999 -5.687 -9.600 1.00 2.31 H new ATOM 0 HB3 GLN A 110 9.737 -7.275 -9.562 1.00 2.31 H new ATOM 0 HG2 GLN A 110 10.837 -6.290 -11.364 1.00 35.22 H new ATOM 0 HG3 GLN A 110 9.574 -7.199 -12.172 1.00 35.22 H new ATOM 0 HE21 GLN A 110 11.112 -4.924 -13.180 1.00 32.42 H new ATOM 0 HE22 GLN A 110 9.947 -3.657 -13.575 1.00 32.42 H new ATOM 1748 N GLU A 111 6.305 -8.866 -8.918 1.00 13.34 N ATOM 1749 CA GLU A 111 5.709 -9.546 -7.735 1.00 55.33 C ATOM 1750 C GLU A 111 6.711 -10.444 -6.972 1.00 23.00 C ATOM 1751 O GLU A 111 6.556 -10.670 -5.766 1.00 73.50 O ATOM 1752 CB GLU A 111 4.490 -10.391 -8.187 1.00 20.24 C ATOM 1753 CG GLU A 111 4.833 -11.491 -9.218 1.00 2.50 C ATOM 1754 CD GLU A 111 3.649 -12.394 -9.574 1.00 5.52 C ATOM 1755 OE1 GLU A 111 3.351 -13.324 -8.792 1.00 25.22 O ATOM 1756 OE2 GLU A 111 3.013 -12.185 -10.632 1.00 1.44 O ATOM 0 H GLU A 111 5.932 -9.205 -9.805 1.00 13.34 H new ATOM 0 HA GLU A 111 5.402 -8.763 -7.041 1.00 55.33 H new ATOM 0 HB2 GLU A 111 4.039 -10.857 -7.311 1.00 20.24 H new ATOM 0 HB3 GLU A 111 3.740 -9.727 -8.616 1.00 20.24 H new ATOM 0 HG2 GLU A 111 5.205 -11.020 -10.128 1.00 2.50 H new ATOM 0 HG3 GLU A 111 5.642 -12.106 -8.824 1.00 2.50 H new ATOM 1763 N GLN A 112 7.719 -10.966 -7.684 1.00 53.52 N ATOM 1764 CA GLN A 112 8.766 -11.839 -7.097 1.00 13.32 C ATOM 1765 C GLN A 112 9.732 -11.046 -6.182 1.00 15.22 C ATOM 1766 O GLN A 112 10.620 -11.630 -5.565 1.00 3.33 O ATOM 1767 CB GLN A 112 9.549 -12.625 -8.196 1.00 44.13 C ATOM 1768 CG GLN A 112 10.568 -11.815 -9.039 1.00 23.51 C ATOM 1769 CD GLN A 112 9.952 -10.725 -9.923 1.00 3.42 C ATOM 1770 OE1 GLN A 112 8.808 -10.826 -10.371 1.00 2.44 O ATOM 1771 NE2 GLN A 112 10.708 -9.681 -10.202 1.00 34.15 N ATOM 0 H GLN A 112 7.839 -10.800 -8.683 1.00 53.52 H new ATOM 0 HA GLN A 112 8.252 -12.571 -6.474 1.00 13.32 H new ATOM 0 HB2 GLN A 112 10.082 -13.445 -7.714 1.00 44.13 H new ATOM 0 HB3 GLN A 112 8.824 -13.072 -8.876 1.00 44.13 H new ATOM 0 HG2 GLN A 112 11.288 -11.352 -8.365 1.00 23.51 H new ATOM 0 HG3 GLN A 112 11.124 -12.506 -9.673 1.00 23.51 H new ATOM 0 HE21 GLN A 112 11.652 -9.618 -9.820 1.00 34.15 H new ATOM 0 HE22 GLN A 112 10.349 -8.936 -10.799 1.00 34.15 H new ATOM 1780 N LEU A 113 9.583 -9.707 -6.138 1.00 11.12 N ATOM 1781 CA LEU A 113 10.368 -8.841 -5.238 1.00 20.11 C ATOM 1782 C LEU A 113 9.675 -8.663 -3.864 1.00 11.54 C ATOM 1783 O LEU A 113 10.263 -8.073 -2.957 1.00 62.44 O ATOM 1784 CB LEU A 113 10.636 -7.462 -5.902 1.00 62.24 C ATOM 1785 CG LEU A 113 11.523 -7.454 -7.190 1.00 53.12 C ATOM 1786 CD1 LEU A 113 11.760 -6.010 -7.694 1.00 35.23 C ATOM 1787 CD2 LEU A 113 12.865 -8.176 -6.952 1.00 54.42 C ATOM 0 H LEU A 113 8.919 -9.199 -6.722 1.00 11.12 H new ATOM 0 HA LEU A 113 11.324 -9.333 -5.060 1.00 20.11 H new ATOM 0 HB2 LEU A 113 9.674 -7.013 -6.150 1.00 62.24 H new ATOM 0 HB3 LEU A 113 11.108 -6.816 -5.162 1.00 62.24 H new ATOM 0 HG LEU A 113 10.982 -7.999 -7.963 1.00 53.12 H new ATOM 0 HD11 LEU A 113 12.380 -6.035 -8.590 1.00 35.23 H new ATOM 0 HD12 LEU A 113 10.803 -5.544 -7.927 1.00 35.23 H new ATOM 0 HD13 LEU A 113 12.265 -5.433 -6.920 1.00 35.23 H new ATOM 0 HD21 LEU A 113 13.458 -8.153 -7.866 1.00 54.42 H new ATOM 0 HD22 LEU A 113 13.411 -7.675 -6.153 1.00 54.42 H new ATOM 0 HD23 LEU A 113 12.676 -9.211 -6.669 1.00 54.42 H new ATOM 1799 N LEU A 114 8.431 -9.176 -3.711 1.00 41.14 N ATOM 1800 CA LEU A 114 7.696 -9.139 -2.416 1.00 10.35 C ATOM 1801 C LEU A 114 8.363 -10.059 -1.367 1.00 4.14 C ATOM 1802 O LEU A 114 8.340 -9.761 -0.170 1.00 22.41 O ATOM 1803 CB LEU A 114 6.210 -9.541 -2.608 1.00 25.51 C ATOM 1804 CG LEU A 114 5.340 -8.616 -3.518 1.00 21.43 C ATOM 1805 CD1 LEU A 114 3.946 -9.239 -3.747 1.00 51.43 C ATOM 1806 CD2 LEU A 114 5.224 -7.185 -2.934 1.00 13.22 C ATOM 0 H LEU A 114 7.912 -9.622 -4.467 1.00 41.14 H new ATOM 0 HA LEU A 114 7.735 -8.114 -2.049 1.00 10.35 H new ATOM 0 HB2 LEU A 114 6.182 -10.549 -3.023 1.00 25.51 H new ATOM 0 HB3 LEU A 114 5.741 -9.588 -1.625 1.00 25.51 H new ATOM 0 HG LEU A 114 5.840 -8.530 -4.482 1.00 21.43 H new ATOM 0 HD11 LEU A 114 3.354 -8.581 -4.383 1.00 51.43 H new ATOM 0 HD12 LEU A 114 4.056 -10.209 -4.231 1.00 51.43 H new ATOM 0 HD13 LEU A 114 3.443 -9.367 -2.789 1.00 51.43 H new ATOM 0 HD21 LEU A 114 4.612 -6.571 -3.594 1.00 13.22 H new ATOM 0 HD22 LEU A 114 4.761 -7.231 -1.948 1.00 13.22 H new ATOM 0 HD23 LEU A 114 6.218 -6.745 -2.848 1.00 13.22 H new ATOM 1818 N GLU A 115 8.962 -11.178 -1.834 1.00 52.44 N ATOM 1819 CA GLU A 115 9.723 -12.115 -0.965 1.00 72.13 C ATOM 1820 C GLU A 115 11.080 -11.522 -0.569 1.00 31.15 C ATOM 1821 O GLU A 115 11.713 -11.992 0.380 1.00 65.32 O ATOM 1822 CB GLU A 115 9.934 -13.481 -1.666 1.00 43.33 C ATOM 1823 CG GLU A 115 10.627 -13.397 -3.037 1.00 0.21 C ATOM 1824 CD GLU A 115 10.754 -14.753 -3.756 1.00 52.30 C ATOM 1825 OE1 GLU A 115 9.826 -15.134 -4.498 1.00 53.04 O ATOM 1826 OE2 GLU A 115 11.779 -15.442 -3.573 1.00 53.23 O ATOM 0 H GLU A 115 8.934 -11.458 -2.814 1.00 52.44 H new ATOM 0 HA GLU A 115 9.132 -12.272 -0.063 1.00 72.13 H new ATOM 0 HB2 GLU A 115 10.526 -14.122 -1.013 1.00 43.33 H new ATOM 0 HB3 GLU A 115 8.965 -13.963 -1.792 1.00 43.33 H new ATOM 0 HG2 GLU A 115 10.069 -12.710 -3.674 1.00 0.21 H new ATOM 0 HG3 GLU A 115 11.622 -12.972 -2.905 1.00 0.21 H new ATOM 1833 N ASN A 116 11.512 -10.480 -1.301 1.00 61.15 N ATOM 1834 CA ASN A 116 12.768 -9.764 -1.019 1.00 13.14 C ATOM 1835 C ASN A 116 12.536 -8.776 0.135 1.00 13.24 C ATOM 1836 O ASN A 116 13.488 -8.319 0.769 1.00 5.52 O ATOM 1837 CB ASN A 116 13.273 -8.992 -2.271 1.00 64.41 C ATOM 1838 CG ASN A 116 13.637 -9.858 -3.486 1.00 71.33 C ATOM 1839 OD1 ASN A 116 12.882 -10.910 -3.762 1.00 63.23 O flip ATOM 1840 ND2 ASN A 116 14.581 -9.550 -4.214 1.00 42.25 N flip ATOM 0 H ASN A 116 11.001 -10.111 -2.103 1.00 61.15 H new ATOM 0 HA ASN A 116 13.528 -10.495 -0.744 1.00 13.14 H new ATOM 0 HB2 ASN A 116 12.503 -8.282 -2.572 1.00 64.41 H new ATOM 0 HB3 ASN A 116 14.150 -8.410 -1.987 1.00 64.41 H new ATOM 0 HD21 ASN A 116 15.154 -8.737 -3.989 1.00 42.25 H new ATOM 0 HD22 ASN A 116 14.790 -10.108 -5.042 1.00 42.25 H new ATOM 1847 N ILE A 117 11.247 -8.458 0.387 1.00 14.12 N ATOM 1848 CA ILE A 117 10.817 -7.524 1.436 1.00 4.44 C ATOM 1849 C ILE A 117 10.380 -8.336 2.671 1.00 3.13 C ATOM 1850 O ILE A 117 9.480 -9.180 2.568 1.00 74.41 O ATOM 1851 CB ILE A 117 9.594 -6.636 0.965 1.00 21.13 C ATOM 1852 CG1 ILE A 117 9.830 -6.015 -0.440 1.00 33.52 C ATOM 1853 CG2 ILE A 117 9.296 -5.528 2.000 1.00 24.11 C ATOM 1854 CD1 ILE A 117 8.635 -5.245 -0.994 1.00 71.13 C ATOM 0 H ILE A 117 10.470 -8.852 -0.143 1.00 14.12 H new ATOM 0 HA ILE A 117 11.654 -6.864 1.667 1.00 4.44 H new ATOM 0 HB ILE A 117 8.728 -7.294 0.890 1.00 21.13 H new ATOM 0 HG12 ILE A 117 10.688 -5.344 -0.389 1.00 33.52 H new ATOM 0 HG13 ILE A 117 10.090 -6.811 -1.138 1.00 33.52 H new ATOM 0 HG21 ILE A 117 8.452 -4.928 1.658 1.00 24.11 H new ATOM 0 HG22 ILE A 117 9.053 -5.983 2.960 1.00 24.11 H new ATOM 0 HG23 ILE A 117 10.173 -4.890 2.113 1.00 24.11 H new ATOM 0 HD11 ILE A 117 8.884 -4.845 -1.977 1.00 71.13 H new ATOM 0 HD12 ILE A 117 7.779 -5.915 -1.081 1.00 71.13 H new ATOM 0 HD13 ILE A 117 8.387 -4.425 -0.320 1.00 71.13 H new ATOM 1866 N LYS A 118 11.012 -8.085 3.825 1.00 44.34 N ATOM 1867 CA LYS A 118 10.650 -8.731 5.110 1.00 5.34 C ATOM 1868 C LYS A 118 10.079 -7.664 6.064 1.00 1.34 C ATOM 1869 O LYS A 118 10.419 -6.479 5.952 1.00 2.32 O ATOM 1870 CB LYS A 118 11.896 -9.414 5.755 1.00 44.31 C ATOM 1871 CG LYS A 118 12.688 -10.434 4.879 1.00 70.43 C ATOM 1872 CD LYS A 118 12.030 -11.843 4.735 1.00 31.22 C ATOM 1873 CE LYS A 118 10.923 -11.934 3.669 1.00 3.01 C ATOM 1874 NZ LYS A 118 10.488 -13.341 3.439 1.00 12.04 N ATOM 0 H LYS A 118 11.790 -7.430 3.902 1.00 44.34 H new ATOM 0 HA LYS A 118 9.901 -9.501 4.925 1.00 5.34 H new ATOM 0 HB2 LYS A 118 12.586 -8.630 6.067 1.00 44.31 H new ATOM 0 HB3 LYS A 118 11.569 -9.928 6.658 1.00 44.31 H new ATOM 0 HG2 LYS A 118 12.818 -10.009 3.884 1.00 70.43 H new ATOM 0 HG3 LYS A 118 13.683 -10.558 5.306 1.00 70.43 H new ATOM 0 HD2 LYS A 118 12.807 -12.568 4.494 1.00 31.22 H new ATOM 0 HD3 LYS A 118 11.611 -12.133 5.699 1.00 31.22 H new ATOM 0 HE2 LYS A 118 10.067 -11.336 3.982 1.00 3.01 H new ATOM 0 HE3 LYS A 118 11.284 -11.508 2.733 1.00 3.01 H new ATOM 0 HZ1 LYS A 118 10.835 -13.665 2.514 1.00 12.04 H new ATOM 0 HZ2 LYS A 118 10.876 -13.951 4.187 1.00 12.04 H new ATOM 0 HZ3 LYS A 118 9.449 -13.390 3.456 1.00 12.04 H new ATOM 1888 N ARG A 119 9.221 -8.100 7.005 1.00 15.31 N ATOM 1889 CA ARG A 119 8.670 -7.215 8.060 1.00 20.31 C ATOM 1890 C ARG A 119 9.722 -6.976 9.146 1.00 14.11 C ATOM 1891 O ARG A 119 9.807 -5.892 9.718 1.00 2.32 O ATOM 1892 CB ARG A 119 7.379 -7.819 8.676 1.00 44.42 C ATOM 1893 CG ARG A 119 7.542 -9.251 9.229 1.00 11.25 C ATOM 1894 CD ARG A 119 6.240 -9.807 9.809 1.00 23.31 C ATOM 1895 NE ARG A 119 5.164 -9.819 8.802 1.00 64.13 N ATOM 1896 CZ ARG A 119 3.935 -10.313 8.987 1.00 64.42 C ATOM 1897 NH1 ARG A 119 3.570 -10.842 10.151 1.00 4.43 N ATOM 1898 NH2 ARG A 119 3.066 -10.260 7.993 1.00 63.21 N ATOM 0 H ARG A 119 8.890 -9.063 7.060 1.00 15.31 H new ATOM 0 HA ARG A 119 8.408 -6.260 7.605 1.00 20.31 H new ATOM 0 HB2 ARG A 119 7.038 -7.169 9.482 1.00 44.42 H new ATOM 0 HB3 ARG A 119 6.597 -7.823 7.917 1.00 44.42 H new ATOM 0 HG2 ARG A 119 7.890 -9.907 8.432 1.00 11.25 H new ATOM 0 HG3 ARG A 119 8.310 -9.253 10.002 1.00 11.25 H new ATOM 0 HD2 ARG A 119 6.407 -10.819 10.177 1.00 23.31 H new ATOM 0 HD3 ARG A 119 5.934 -9.204 10.664 1.00 23.31 H new ATOM 0 HE ARG A 119 5.374 -9.417 7.888 1.00 64.13 H new ATOM 0 HH11 ARG A 119 4.233 -10.877 10.926 1.00 4.43 H new ATOM 0 HH12 ARG A 119 2.627 -11.213 10.269 1.00 4.43 H new ATOM 0 HH21 ARG A 119 3.337 -9.847 7.101 1.00 63.21 H new ATOM 0 HH22 ARG A 119 2.125 -10.632 8.118 1.00 63.21 H new ATOM 1912 N LYS A 120 10.519 -8.019 9.408 1.00 33.21 N ATOM 1913 CA LYS A 120 11.604 -8.009 10.389 1.00 54.11 C ATOM 1914 C LYS A 120 12.366 -9.333 10.295 1.00 0.31 C ATOM 1915 O LYS A 120 11.764 -10.396 10.077 1.00 40.23 O ATOM 1916 CB LYS A 120 11.089 -7.752 11.841 1.00 14.52 C ATOM 1917 CG LYS A 120 9.958 -8.694 12.318 1.00 11.20 C ATOM 1918 CD LYS A 120 9.528 -8.412 13.778 1.00 10.33 C ATOM 1919 CE LYS A 120 8.354 -9.294 14.236 1.00 15.11 C ATOM 1920 NZ LYS A 120 8.035 -9.124 15.684 1.00 74.54 N ATOM 0 H LYS A 120 10.422 -8.915 8.930 1.00 33.21 H new ATOM 0 HA LYS A 120 12.275 -7.182 10.158 1.00 54.11 H new ATOM 0 HB2 LYS A 120 11.930 -7.844 12.529 1.00 14.52 H new ATOM 0 HB3 LYS A 120 10.734 -6.723 11.906 1.00 14.52 H new ATOM 0 HG2 LYS A 120 9.096 -8.583 11.661 1.00 11.20 H new ATOM 0 HG3 LYS A 120 10.291 -9.728 12.234 1.00 11.20 H new ATOM 0 HD2 LYS A 120 10.378 -8.575 14.440 1.00 10.33 H new ATOM 0 HD3 LYS A 120 9.247 -7.363 13.873 1.00 10.33 H new ATOM 0 HE2 LYS A 120 7.471 -9.053 13.643 1.00 15.11 H new ATOM 0 HE3 LYS A 120 8.593 -10.339 14.041 1.00 15.11 H new ATOM 0 HZ1 LYS A 120 7.226 -9.728 15.935 1.00 74.54 H new ATOM 0 HZ2 LYS A 120 8.860 -9.396 16.256 1.00 74.54 H new ATOM 0 HZ3 LYS A 120 7.796 -8.130 15.872 1.00 74.54 H new ATOM 1934 N VAL A 121 13.689 -9.236 10.417 1.00 73.14 N ATOM 1935 CA VAL A 121 14.601 -10.389 10.365 1.00 12.53 C ATOM 1936 C VAL A 121 14.973 -10.823 11.803 1.00 2.00 C ATOM 1937 O VAL A 121 15.279 -11.996 12.057 1.00 75.11 O ATOM 1938 CB VAL A 121 15.873 -10.054 9.501 1.00 11.40 C ATOM 1939 CG1 VAL A 121 16.736 -8.940 10.140 1.00 61.31 C ATOM 1940 CG2 VAL A 121 16.701 -11.326 9.197 1.00 73.31 C ATOM 0 H VAL A 121 14.168 -8.346 10.557 1.00 73.14 H new ATOM 0 HA VAL A 121 14.100 -11.226 9.879 1.00 12.53 H new ATOM 0 HB VAL A 121 15.519 -9.662 8.548 1.00 11.40 H new ATOM 0 HG11 VAL A 121 17.602 -8.743 9.508 1.00 61.31 H new ATOM 0 HG12 VAL A 121 16.143 -8.030 10.236 1.00 61.31 H new ATOM 0 HG13 VAL A 121 17.072 -9.260 11.126 1.00 61.31 H new ATOM 0 HG21 VAL A 121 17.572 -11.059 8.599 1.00 73.31 H new ATOM 0 HG22 VAL A 121 17.029 -11.779 10.133 1.00 73.31 H new ATOM 0 HG23 VAL A 121 16.086 -12.037 8.645 1.00 73.31 H new ATOM 1950 N THR A 122 14.949 -9.852 12.742 1.00 62.51 N ATOM 1951 CA THR A 122 15.018 -10.118 14.189 1.00 0.33 C ATOM 1952 C THR A 122 13.589 -10.166 14.741 1.00 22.00 C ATOM 1953 O THR A 122 12.675 -9.599 14.122 1.00 3.04 O ATOM 1954 CB THR A 122 15.867 -9.038 14.946 1.00 23.23 C ATOM 1955 OG1 THR A 122 16.109 -9.463 16.293 1.00 51.44 O ATOM 1956 CG2 THR A 122 15.199 -7.650 14.981 1.00 5.31 C ATOM 0 H THR A 122 14.881 -8.860 12.513 1.00 62.51 H new ATOM 0 HA THR A 122 15.518 -11.074 14.348 1.00 0.33 H new ATOM 0 HB THR A 122 16.800 -8.940 14.390 1.00 23.23 H new ATOM 0 HG1 THR A 122 16.641 -8.785 16.759 1.00 51.44 H new ATOM 0 HG21 THR A 122 15.840 -6.951 15.519 1.00 5.31 H new ATOM 0 HG22 THR A 122 15.048 -7.293 13.962 1.00 5.31 H new ATOM 0 HG23 THR A 122 14.236 -7.722 15.486 1.00 5.31 H new ATOM 1964 N SER A 123 13.405 -10.850 15.891 1.00 12.52 N ATOM 1965 CA SER A 123 12.078 -11.054 16.531 1.00 33.04 C ATOM 1966 C SER A 123 11.126 -11.854 15.594 1.00 42.32 C ATOM 1967 O SER A 123 9.895 -11.798 15.735 1.00 55.31 O ATOM 1968 CB SER A 123 11.460 -9.683 16.971 1.00 65.54 C ATOM 1969 OG SER A 123 10.224 -9.837 17.672 1.00 61.12 O ATOM 0 H SER A 123 14.173 -11.280 16.407 1.00 12.52 H new ATOM 0 HA SER A 123 12.214 -11.652 17.432 1.00 33.04 H new ATOM 0 HB2 SER A 123 12.171 -9.156 17.607 1.00 65.54 H new ATOM 0 HB3 SER A 123 11.299 -9.062 16.090 1.00 65.54 H new ATOM 0 HG SER A 123 9.880 -8.955 17.926 1.00 61.12 H new ATOM 1975 N VAL A 124 11.718 -12.640 14.669 1.00 54.51 N ATOM 1976 CA VAL A 124 10.969 -13.413 13.657 1.00 43.13 C ATOM 1977 C VAL A 124 10.312 -14.658 14.302 1.00 21.14 C ATOM 1978 O VAL A 124 10.989 -15.621 14.689 1.00 33.41 O ATOM 1979 CB VAL A 124 11.884 -13.799 12.424 1.00 33.22 C ATOM 1980 CG1 VAL A 124 13.174 -14.538 12.852 1.00 42.14 C ATOM 1981 CG2 VAL A 124 11.097 -14.605 11.351 1.00 75.02 C ATOM 0 H VAL A 124 12.729 -12.756 14.604 1.00 54.51 H new ATOM 0 HA VAL A 124 10.172 -12.780 13.268 1.00 43.13 H new ATOM 0 HB VAL A 124 12.196 -12.860 11.967 1.00 33.22 H new ATOM 0 HG11 VAL A 124 13.765 -14.780 11.969 1.00 42.14 H new ATOM 0 HG12 VAL A 124 13.757 -13.898 13.515 1.00 42.14 H new ATOM 0 HG13 VAL A 124 12.910 -15.457 13.375 1.00 42.14 H new ATOM 0 HG21 VAL A 124 11.760 -14.851 10.522 1.00 75.02 H new ATOM 0 HG22 VAL A 124 10.715 -15.524 11.794 1.00 75.02 H new ATOM 0 HG23 VAL A 124 10.264 -14.005 10.984 1.00 75.02 H new ATOM 1991 N SER A 125 8.987 -14.583 14.484 1.00 32.33 N ATOM 1992 CA SER A 125 8.183 -15.681 15.039 1.00 12.45 C ATOM 1993 C SER A 125 8.094 -16.847 14.009 1.00 62.02 C ATOM 1994 O SER A 125 7.394 -16.701 12.992 1.00 60.01 O ATOM 1995 CB SER A 125 6.781 -15.154 15.459 1.00 73.12 C ATOM 1996 OG SER A 125 6.144 -14.446 14.401 1.00 5.31 O ATOM 1997 OXT SER A 125 8.741 -17.890 14.214 1.00 37.65 O ATOM 0 H SER A 125 8.440 -13.755 14.249 1.00 32.33 H new ATOM 0 HA SER A 125 8.663 -16.075 15.935 1.00 12.45 H new ATOM 0 HB2 SER A 125 6.154 -15.992 15.765 1.00 73.12 H new ATOM 0 HB3 SER A 125 6.883 -14.500 16.325 1.00 73.12 H new ATOM 0 HG SER A 125 6.376 -14.861 13.544 1.00 5.31 H new TER 2003 SER A 125