USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1074 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 87 TYR OH : rot 165:sc= 1.75 USER MOD Set 1.2: A 112 GLN : amide:sc= 0.688 K(o=2.4,f=0.98) USER MOD Set 2.1: A 82 GLN : amide:sc= 0.819 K(o=1.7,f=-0.072) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.905 K(o=1.7,f=-2.6!) USER MOD Set 3.1: A 73 GLN : amide:sc= 0.812 K(o=1.7,f=-3.2) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -164:sc= 0.928 (180deg=0) USER MOD Set 4.1: A 51 TYR OH : rot 180:sc= 1.05 USER MOD Set 4.2: A 149 SER OG : rot 71:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot 150:sc= 0.285 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 130:sc= -0.154 USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 29 GLN : amide:sc= 0.322 K(o=0.32,f=-3.1!) USER MOD Single : A 31 HIS : +bothHN:sc= 1.65 K(o=1.7,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -1:sc= 0.305 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.554) USER MOD Single : A 56 THR OG1 : rot 170:sc= 0 USER MOD Single : A 57 SER OG : rot -60:sc= 1.07 USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.397 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -127:sc= 1.7 USER MOD Single : A 78 SER OG : rot 82:sc= 0.632 USER MOD Single : A 95 SER OG : rot -24:sc= 0.0837 USER MOD Single : A 96 SER OG : rot 64:sc= 1.17 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00686 X(o=-0.0069,f=-0.25) USER MOD Single : A 101 CYS SG : rot 88:sc= 0.495 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 0.9 (180deg=0.838) USER MOD Single : A 106 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.981 K(o=0.98,f=-0.29) USER MOD Single : A 115 SER OG : rot -48:sc= 0.506 USER MOD Single : A 117 GLN : amide:sc= 0.871 K(o=0.87,f=-0.025) USER MOD Single : A 122 MET CE :methyl 176:sc= -0.146 (180deg=-0.225) USER MOD Single : A 128 SER OG : rot 49:sc= 1.25 USER MOD Single : A 130 ASN : amide:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Single : A 135 THR OG1 : rot -50:sc= 1.19 USER MOD Single : A 137 SER OG : rot -96:sc= 1.26 USER MOD Single : A 138 ASN : amide:sc= 0.86 K(o=0.86,f=-1.4) USER MOD Single : A 143 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 146 THR OG1 : rot -46:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.157 0.846 -0.863 1.00 0.00 N ATOM 21 CA ALA A 2 5.582 2.238 -1.046 1.00 0.00 C ATOM 22 C ALA A 2 5.361 2.733 -2.495 1.00 0.00 C ATOM 23 O ALA A 2 4.844 2.011 -3.349 1.00 0.00 O ATOM 24 CB ALA A 2 7.061 2.317 -0.630 1.00 0.00 C ATOM 0 HA ALA A 2 4.977 2.899 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.419 3.339 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.162 2.018 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.652 1.649 -1.257 1.00 0.00 H new ATOM 30 N GLU A 3 5.759 3.978 -2.775 1.00 0.00 N ATOM 31 CA GLU A 3 5.599 4.657 -4.068 1.00 0.00 C ATOM 32 C GLU A 3 6.917 5.372 -4.430 1.00 0.00 C ATOM 33 O GLU A 3 7.367 6.233 -3.669 1.00 0.00 O ATOM 34 CB GLU A 3 4.418 5.636 -3.945 1.00 0.00 C ATOM 35 CG GLU A 3 4.021 6.276 -5.279 1.00 0.00 C ATOM 36 CD GLU A 3 2.923 7.342 -5.087 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.787 6.991 -4.689 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.184 8.545 -5.320 1.00 0.00 O1- ATOM 0 H GLU A 3 6.220 4.565 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 3 5.382 3.952 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.558 5.108 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.679 6.422 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.897 6.733 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.666 5.505 -5.963 1.00 0.00 H new ATOM 45 N ILE A 4 7.551 5.009 -5.561 1.00 0.00 N ATOM 46 CA ILE A 4 8.918 5.443 -5.914 1.00 0.00 C ATOM 47 C ILE A 4 8.980 6.249 -7.216 1.00 0.00 C ATOM 48 O ILE A 4 8.557 5.776 -8.274 1.00 0.00 O ATOM 49 CB ILE A 4 9.911 4.255 -6.055 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.651 3.016 -5.169 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.348 4.763 -5.848 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.711 3.236 -3.660 1.00 0.00 C ATOM 0 H ILE A 4 7.126 4.401 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 4 9.212 6.077 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 4 9.750 3.884 -7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.667 2.619 -5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.380 2.249 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.046 3.931 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.578 5.520 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.440 5.198 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.512 2.295 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.702 3.598 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.962 3.973 -3.370 1.00 0.00 H new ATOM 64 N GLY A 5 9.566 7.445 -7.159 1.00 0.00 N ATOM 65 CA GLY A 5 9.912 8.213 -8.355 1.00 0.00 C ATOM 66 C GLY A 5 11.300 7.759 -8.824 1.00 0.00 C ATOM 67 O GLY A 5 12.220 7.697 -8.008 1.00 0.00 O ATOM 0 H GLY A 5 9.814 7.908 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.173 8.051 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.914 9.281 -8.135 1.00 0.00 H new ATOM 71 N ILE A 6 11.454 7.401 -10.103 1.00 0.00 N ATOM 72 CA ILE A 6 12.663 6.762 -10.652 1.00 0.00 C ATOM 73 C ILE A 6 13.257 7.682 -11.717 1.00 0.00 C ATOM 74 O ILE A 6 12.881 7.651 -12.890 1.00 0.00 O ATOM 75 CB ILE A 6 12.379 5.330 -11.162 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.729 4.471 -10.054 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.689 4.678 -11.654 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.464 3.021 -10.466 1.00 0.00 C ATOM 0 H ILE A 6 10.728 7.549 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 6 13.404 6.630 -9.864 1.00 0.00 H new ATOM 0 HB ILE A 6 11.679 5.390 -11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.377 4.476 -9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.787 4.932 -9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.481 3.670 -12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.108 5.272 -12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.403 4.632 -10.832 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.007 2.484 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.791 3.004 -11.323 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.405 2.541 -10.734 1.00 0.00 H new ATOM 90 N PHE A 7 14.165 8.549 -11.284 1.00 0.00 N ATOM 91 CA PHE A 7 14.691 9.654 -12.079 1.00 0.00 C ATOM 92 C PHE A 7 15.941 9.247 -12.853 1.00 0.00 C ATOM 93 O PHE A 7 16.811 8.547 -12.322 1.00 0.00 O ATOM 94 CB PHE A 7 14.964 10.844 -11.152 1.00 0.00 C ATOM 95 CG PHE A 7 13.729 11.210 -10.356 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.782 12.103 -10.884 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.483 10.577 -9.124 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.586 12.344 -10.188 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.299 10.836 -8.421 1.00 0.00 C ATOM 100 CZ PHE A 7 11.334 11.698 -8.964 1.00 0.00 C ATOM 0 H PHE A 7 14.566 8.502 -10.347 1.00 0.00 H new ATOM 0 HA PHE A 7 13.951 9.942 -12.825 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.780 10.599 -10.472 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.288 11.702 -11.742 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.973 12.603 -11.822 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.210 9.889 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.856 13.029 -10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.129 10.372 -7.461 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.402 11.865 -8.445 1.00 0.00 H new ATOM 110 N VAL A 8 16.031 9.702 -14.104 1.00 0.00 N ATOM 111 CA VAL A 8 17.044 9.245 -15.063 1.00 0.00 C ATOM 112 C VAL A 8 17.833 10.414 -15.642 1.00 0.00 C ATOM 113 O VAL A 8 17.298 11.495 -15.894 1.00 0.00 O ATOM 114 CB VAL A 8 16.402 8.399 -16.186 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.439 7.769 -17.129 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.558 7.254 -15.612 1.00 0.00 C ATOM 0 H VAL A 8 15.398 10.405 -14.486 1.00 0.00 H new ATOM 0 HA VAL A 8 17.746 8.611 -14.522 1.00 0.00 H new ATOM 0 HB VAL A 8 15.782 9.099 -16.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.927 7.187 -17.896 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.026 8.556 -17.602 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.100 7.116 -16.559 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.121 6.679 -16.429 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.190 6.603 -15.008 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.762 7.665 -14.991 1.00 0.00 H new ATOM 126 N GLY A 9 19.119 10.160 -15.889 1.00 0.00 N ATOM 127 CA GLY A 9 20.055 11.088 -16.521 1.00 0.00 C ATOM 128 C GLY A 9 20.897 10.344 -17.550 1.00 0.00 C ATOM 129 O GLY A 9 21.753 9.529 -17.197 1.00 0.00 O ATOM 0 H GLY A 9 19.552 9.269 -15.645 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.509 11.900 -17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.700 11.540 -15.767 1.00 0.00 H new ATOM 133 N THR A 10 20.611 10.560 -18.832 1.00 0.00 N ATOM 134 CA THR A 10 21.212 9.843 -19.975 1.00 0.00 C ATOM 135 C THR A 10 21.165 10.644 -21.281 1.00 0.00 C ATOM 136 O THR A 10 20.353 11.551 -21.432 1.00 0.00 O ATOM 137 CB THR A 10 20.489 8.504 -20.165 1.00 0.00 C ATOM 138 OG1 THR A 10 21.227 7.714 -21.061 1.00 0.00 O ATOM 139 CG2 THR A 10 19.085 8.589 -20.737 1.00 0.00 C ATOM 0 H THR A 10 19.931 11.262 -19.123 1.00 0.00 H new ATOM 0 HA THR A 10 22.265 9.687 -19.741 1.00 0.00 H new ATOM 0 HB THR A 10 20.407 8.090 -19.160 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.096 6.767 -20.846 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.668 7.586 -20.829 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.457 9.183 -20.073 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.120 9.059 -21.720 1.00 0.00 H new ATOM 147 N MET A 11 22.002 10.253 -22.242 1.00 0.00 N ATOM 148 CA MET A 11 21.996 10.743 -23.632 1.00 0.00 C ATOM 149 C MET A 11 21.835 9.598 -24.660 1.00 0.00 C ATOM 150 O MET A 11 21.621 9.877 -25.839 1.00 0.00 O ATOM 151 CB MET A 11 23.281 11.544 -23.918 1.00 0.00 C ATOM 152 CG MET A 11 23.646 12.602 -22.865 1.00 0.00 C ATOM 153 SD MET A 11 22.422 13.896 -22.499 1.00 0.00 S ATOM 154 CE MET A 11 22.491 14.854 -24.034 1.00 0.00 C ATOM 0 H MET A 11 22.732 9.561 -22.074 1.00 0.00 H new ATOM 0 HA MET A 11 21.130 11.395 -23.742 1.00 0.00 H new ATOM 0 HB2 MET A 11 24.112 10.845 -24.009 1.00 0.00 H new ATOM 0 HB3 MET A 11 23.173 12.039 -24.883 1.00 0.00 H new ATOM 0 HG2 MET A 11 23.872 12.083 -21.934 1.00 0.00 H new ATOM 0 HG3 MET A 11 24.564 13.092 -23.188 1.00 0.00 H new ATOM 0 HE1 MET A 11 21.795 15.690 -23.973 1.00 0.00 H new ATOM 0 HE2 MET A 11 23.502 15.234 -24.181 1.00 0.00 H new ATOM 0 HE3 MET A 11 22.218 14.215 -24.874 1.00 0.00 H new ATOM 164 N TYR A 12 21.912 8.323 -24.228 1.00 0.00 N ATOM 165 CA TYR A 12 21.946 7.140 -25.115 1.00 0.00 C ATOM 166 C TYR A 12 21.097 5.939 -24.630 1.00 0.00 C ATOM 167 O TYR A 12 21.040 4.913 -25.314 1.00 0.00 O ATOM 168 CB TYR A 12 23.411 6.723 -25.354 1.00 0.00 C ATOM 169 CG TYR A 12 24.315 7.810 -25.913 1.00 0.00 C ATOM 170 CD1 TYR A 12 24.180 8.216 -27.254 1.00 0.00 C ATOM 171 CD2 TYR A 12 25.296 8.405 -25.093 1.00 0.00 C ATOM 172 CE1 TYR A 12 25.011 9.231 -27.772 1.00 0.00 C ATOM 173 CE2 TYR A 12 26.134 9.416 -25.607 1.00 0.00 C ATOM 174 CZ TYR A 12 25.989 9.835 -26.949 1.00 0.00 C ATOM 175 OH TYR A 12 26.788 10.814 -27.455 1.00 0.00 O ATOM 0 H TYR A 12 21.953 8.081 -23.238 1.00 0.00 H new ATOM 0 HA TYR A 12 21.478 7.444 -26.051 1.00 0.00 H new ATOM 0 HB2 TYR A 12 23.831 6.375 -24.410 1.00 0.00 H new ATOM 0 HB3 TYR A 12 23.423 5.876 -26.040 1.00 0.00 H new ATOM 0 HD1 TYR A 12 23.439 7.750 -27.887 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.406 8.085 -24.067 1.00 0.00 H new ATOM 0 HE1 TYR A 12 24.900 9.547 -28.799 1.00 0.00 H new ATOM 0 HE2 TYR A 12 26.885 9.869 -24.977 1.00 0.00 H new ATOM 0 HH TYR A 12 27.405 11.124 -26.760 1.00 0.00 H new ATOM 185 N GLY A 13 20.410 6.051 -23.481 1.00 0.00 N ATOM 186 CA GLY A 13 19.404 5.078 -23.020 1.00 0.00 C ATOM 187 C GLY A 13 19.904 3.909 -22.159 1.00 0.00 C ATOM 188 O GLY A 13 19.086 3.136 -21.659 1.00 0.00 O ATOM 0 H GLY A 13 20.539 6.831 -22.837 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.647 5.618 -22.451 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.907 4.664 -23.897 1.00 0.00 H new ATOM 192 N ASN A 14 21.217 3.768 -21.938 1.00 0.00 N ATOM 193 CA ASN A 14 21.792 2.605 -21.226 1.00 0.00 C ATOM 194 C ASN A 14 21.349 2.519 -19.751 1.00 0.00 C ATOM 195 O ASN A 14 20.984 1.450 -19.263 1.00 0.00 O ATOM 196 CB ASN A 14 23.326 2.642 -21.332 1.00 0.00 C ATOM 197 CG ASN A 14 23.813 2.407 -22.755 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.852 1.285 -23.241 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.208 3.442 -23.462 1.00 0.00 N ATOM 0 H ASN A 14 21.912 4.449 -22.243 1.00 0.00 H new ATOM 0 HA ASN A 14 21.409 1.707 -21.710 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.689 3.608 -20.981 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.752 1.884 -20.675 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.547 3.309 -24.415 1.00 0.00 H new ATOM 0 HD22 ASN A 14 24.176 4.378 -23.058 1.00 0.00 H new ATOM 206 N SER A 15 21.335 3.657 -19.046 1.00 0.00 N ATOM 207 CA SER A 15 20.806 3.773 -17.677 1.00 0.00 C ATOM 208 C SER A 15 19.268 3.770 -17.641 1.00 0.00 C ATOM 209 O SER A 15 18.672 3.181 -16.744 1.00 0.00 O ATOM 210 CB SER A 15 21.373 5.047 -17.048 1.00 0.00 C ATOM 211 OG SER A 15 21.122 6.130 -17.922 1.00 0.00 O ATOM 0 H SER A 15 21.696 4.537 -19.414 1.00 0.00 H new ATOM 0 HA SER A 15 21.119 2.901 -17.103 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.911 5.228 -16.078 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.444 4.940 -16.876 1.00 0.00 H new ATOM 0 HG SER A 15 20.711 6.865 -17.422 1.00 0.00 H new ATOM 217 N LEU A 16 18.602 4.338 -18.654 1.00 0.00 N ATOM 218 CA LEU A 16 17.136 4.310 -18.785 1.00 0.00 C ATOM 219 C LEU A 16 16.570 2.881 -18.834 1.00 0.00 C ATOM 220 O LEU A 16 15.560 2.613 -18.187 1.00 0.00 O ATOM 221 CB LEU A 16 16.735 5.129 -20.024 1.00 0.00 C ATOM 222 CG LEU A 16 15.228 5.167 -20.341 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.405 5.806 -19.223 1.00 0.00 C ATOM 224 CD2 LEU A 16 15.015 5.987 -21.613 1.00 0.00 C ATOM 0 H LEU A 16 19.068 4.835 -19.413 1.00 0.00 H new ATOM 0 HA LEU A 16 16.699 4.760 -17.894 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.085 6.152 -19.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.259 4.724 -20.890 1.00 0.00 H new ATOM 0 HG LEU A 16 14.895 4.136 -20.457 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.351 5.806 -19.501 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.538 5.237 -18.303 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.738 6.832 -19.067 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.952 6.022 -21.849 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.386 7.000 -21.459 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.555 5.524 -22.439 1.00 0.00 H new ATOM 236 N LEU A 17 17.245 1.944 -19.510 1.00 0.00 N ATOM 237 CA LEU A 17 16.885 0.519 -19.481 1.00 0.00 C ATOM 238 C LEU A 17 16.798 -0.017 -18.041 1.00 0.00 C ATOM 239 O LEU A 17 15.838 -0.697 -17.679 1.00 0.00 O ATOM 240 CB LEU A 17 17.921 -0.271 -20.308 1.00 0.00 C ATOM 241 CG LEU A 17 17.828 -1.806 -20.185 1.00 0.00 C ATOM 242 CD1 LEU A 17 16.503 -2.353 -20.710 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.968 -2.467 -20.961 1.00 0.00 C ATOM 0 H LEU A 17 18.056 2.151 -20.093 1.00 0.00 H new ATOM 0 HA LEU A 17 15.895 0.393 -19.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.808 0.001 -21.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.920 0.042 -20.004 1.00 0.00 H new ATOM 0 HG LEU A 17 17.899 -2.039 -19.123 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.488 -3.437 -20.601 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.680 -1.920 -20.142 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.394 -2.093 -21.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.892 -3.550 -20.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.902 -2.189 -22.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.924 -2.134 -20.557 1.00 0.00 H new ATOM 255 N VAL A 18 17.787 0.313 -17.207 1.00 0.00 N ATOM 256 CA VAL A 18 17.798 -0.080 -15.792 1.00 0.00 C ATOM 257 C VAL A 18 16.641 0.562 -15.021 1.00 0.00 C ATOM 258 O VAL A 18 16.047 -0.095 -14.173 1.00 0.00 O ATOM 259 CB VAL A 18 19.155 0.231 -15.135 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.148 -0.133 -13.651 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.285 -0.541 -15.826 1.00 0.00 C ATOM 0 H VAL A 18 18.601 0.858 -17.490 1.00 0.00 H new ATOM 0 HA VAL A 18 17.654 -1.160 -15.752 1.00 0.00 H new ATOM 0 HB VAL A 18 19.324 1.303 -15.241 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.120 0.098 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.375 0.441 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.944 -1.198 -13.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.234 -0.305 -15.345 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.095 -1.611 -15.748 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.331 -0.256 -16.877 1.00 0.00 H new ATOM 271 N ALA A 19 16.267 1.810 -15.323 1.00 0.00 N ATOM 272 CA ALA A 19 15.098 2.446 -14.712 1.00 0.00 C ATOM 273 C ALA A 19 13.769 1.763 -15.100 1.00 0.00 C ATOM 274 O ALA A 19 12.924 1.525 -14.235 1.00 0.00 O ATOM 275 CB ALA A 19 15.094 3.926 -15.095 1.00 0.00 C ATOM 0 H ALA A 19 16.761 2.401 -15.991 1.00 0.00 H new ATOM 0 HA ALA A 19 15.175 2.338 -13.630 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.229 4.415 -14.648 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.006 4.398 -14.731 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.044 4.021 -16.180 1.00 0.00 H new ATOM 281 N GLU A 20 13.594 1.392 -16.373 1.00 0.00 N ATOM 282 CA GLU A 20 12.434 0.616 -16.837 1.00 0.00 C ATOM 283 C GLU A 20 12.350 -0.769 -16.159 1.00 0.00 C ATOM 284 O GLU A 20 11.271 -1.179 -15.721 1.00 0.00 O ATOM 285 CB GLU A 20 12.476 0.452 -18.365 1.00 0.00 C ATOM 286 CG GLU A 20 12.259 1.770 -19.120 1.00 0.00 C ATOM 287 CD GLU A 20 12.129 1.523 -20.634 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.164 1.450 -21.341 1.00 0.00 O1- ATOM 289 OE2 GLU A 20 10.983 1.410 -21.135 1.00 0.00 O ATOM 0 H GLU A 20 14.255 1.622 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 20 11.541 1.174 -16.556 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.439 0.030 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.712 -0.263 -18.668 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.360 2.262 -18.750 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.093 2.445 -18.928 1.00 0.00 H new ATOM 296 N GLU A 21 13.483 -1.465 -16.000 1.00 0.00 N ATOM 297 CA GLU A 21 13.561 -2.701 -15.209 1.00 0.00 C ATOM 298 C GLU A 21 13.261 -2.468 -13.720 1.00 0.00 C ATOM 299 O GLU A 21 12.532 -3.255 -13.115 1.00 0.00 O ATOM 300 CB GLU A 21 14.946 -3.343 -15.357 1.00 0.00 C ATOM 301 CG GLU A 21 15.176 -3.988 -16.730 1.00 0.00 C ATOM 302 CD GLU A 21 14.313 -5.253 -16.900 1.00 0.00 C ATOM 303 OE1 GLU A 21 14.636 -6.301 -16.289 1.00 0.00 O ATOM 304 OE2 GLU A 21 13.290 -5.199 -17.626 1.00 0.00 O1- ATOM 0 H GLU A 21 14.372 -1.187 -16.416 1.00 0.00 H new ATOM 0 HA GLU A 21 12.796 -3.372 -15.600 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.710 -2.584 -15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.072 -4.100 -14.583 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.936 -3.272 -17.516 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.229 -4.245 -16.843 1.00 0.00 H new ATOM 311 N ALA A 22 13.771 -1.387 -13.122 1.00 0.00 N ATOM 312 CA ALA A 22 13.510 -1.049 -11.725 1.00 0.00 C ATOM 313 C ALA A 22 12.012 -0.834 -11.453 1.00 0.00 C ATOM 314 O ALA A 22 11.478 -1.377 -10.488 1.00 0.00 O ATOM 315 CB ALA A 22 14.326 0.194 -11.337 1.00 0.00 C ATOM 0 H ALA A 22 14.379 -0.721 -13.598 1.00 0.00 H new ATOM 0 HA ALA A 22 13.821 -1.891 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.131 0.446 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.388 -0.013 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.038 1.031 -11.973 1.00 0.00 H new ATOM 321 N GLU A 23 11.314 -0.100 -12.326 1.00 0.00 N ATOM 322 CA GLU A 23 9.861 0.084 -12.255 1.00 0.00 C ATOM 323 C GLU A 23 9.113 -1.262 -12.251 1.00 0.00 C ATOM 324 O GLU A 23 8.259 -1.489 -11.391 1.00 0.00 O ATOM 325 CB GLU A 23 9.415 0.975 -13.426 1.00 0.00 C ATOM 326 CG GLU A 23 7.970 1.474 -13.301 1.00 0.00 C ATOM 327 CD GLU A 23 7.525 2.222 -14.576 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.097 1.554 -15.548 1.00 0.00 O ATOM 329 OE2 GLU A 23 7.573 3.476 -14.600 1.00 0.00 O1- ATOM 0 H GLU A 23 11.747 0.388 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 23 9.610 0.574 -11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.083 1.834 -13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.519 0.417 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.305 0.629 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.884 2.136 -12.439 1.00 0.00 H new ATOM 336 N ALA A 24 9.478 -2.181 -13.154 1.00 0.00 N ATOM 337 CA ALA A 24 8.912 -3.530 -13.216 1.00 0.00 C ATOM 338 C ALA A 24 9.208 -4.361 -11.949 1.00 0.00 C ATOM 339 O ALA A 24 8.303 -4.984 -11.399 1.00 0.00 O ATOM 340 CB ALA A 24 9.440 -4.222 -14.480 1.00 0.00 C ATOM 0 H ALA A 24 10.183 -2.004 -13.869 1.00 0.00 H new ATOM 0 HA ALA A 24 7.826 -3.450 -13.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.028 -5.229 -14.542 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.140 -3.652 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.528 -4.277 -14.437 1.00 0.00 H new ATOM 346 N ILE A 25 10.443 -4.336 -11.437 1.00 0.00 N ATOM 347 CA ILE A 25 10.851 -5.036 -10.213 1.00 0.00 C ATOM 348 C ILE A 25 10.108 -4.521 -8.974 1.00 0.00 C ATOM 349 O ILE A 25 9.650 -5.314 -8.154 1.00 0.00 O ATOM 350 CB ILE A 25 12.382 -4.905 -10.053 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.091 -5.784 -11.108 1.00 0.00 C ATOM 352 CG2 ILE A 25 12.834 -5.319 -8.644 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.562 -5.415 -11.318 1.00 0.00 C ATOM 0 H ILE A 25 11.205 -3.816 -11.872 1.00 0.00 H new ATOM 0 HA ILE A 25 10.583 -6.089 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 25 12.652 -3.859 -10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.026 -6.828 -10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.563 -5.696 -12.057 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.916 -5.215 -8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.353 -4.679 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.554 -6.357 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.998 -6.071 -12.071 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.633 -4.380 -11.653 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.104 -5.530 -10.379 1.00 0.00 H new ATOM 365 N LEU A 26 9.949 -3.204 -8.826 1.00 0.00 N ATOM 366 CA LEU A 26 9.281 -2.608 -7.666 1.00 0.00 C ATOM 367 C LEU A 26 7.781 -2.914 -7.723 1.00 0.00 C ATOM 368 O LEU A 26 7.179 -3.280 -6.714 1.00 0.00 O ATOM 369 CB LEU A 26 9.581 -1.096 -7.643 1.00 0.00 C ATOM 370 CG LEU A 26 11.026 -0.803 -7.190 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.471 0.575 -7.670 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.154 -0.868 -5.668 1.00 0.00 C ATOM 0 H LEU A 26 10.280 -2.520 -9.507 1.00 0.00 H new ATOM 0 HA LEU A 26 9.656 -3.036 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.421 -0.679 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.882 -0.597 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 26 11.666 -1.567 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.493 0.763 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.428 0.612 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.810 1.336 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.184 -0.657 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.492 -0.130 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.877 -1.864 -5.322 1.00 0.00 H new ATOM 384 N THR A 27 7.217 -2.872 -8.930 1.00 0.00 N ATOM 385 CA THR A 27 5.858 -3.340 -9.223 1.00 0.00 C ATOM 386 C THR A 27 5.676 -4.818 -8.841 1.00 0.00 C ATOM 387 O THR A 27 4.704 -5.157 -8.166 1.00 0.00 O ATOM 388 CB THR A 27 5.539 -3.102 -10.708 1.00 0.00 C ATOM 389 OG1 THR A 27 5.607 -1.725 -11.011 1.00 0.00 O ATOM 390 CG2 THR A 27 4.148 -3.573 -11.098 1.00 0.00 C ATOM 0 H THR A 27 7.700 -2.505 -9.750 1.00 0.00 H new ATOM 0 HA THR A 27 5.155 -2.769 -8.617 1.00 0.00 H new ATOM 0 HB THR A 27 6.280 -3.676 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.510 -1.502 -11.318 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.982 -3.378 -12.157 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.059 -4.643 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.404 -3.037 -10.509 1.00 0.00 H new ATOM 398 N ALA A 28 6.627 -5.694 -9.192 1.00 0.00 N ATOM 399 CA ALA A 28 6.606 -7.116 -8.831 1.00 0.00 C ATOM 400 C ALA A 28 6.723 -7.362 -7.311 1.00 0.00 C ATOM 401 O ALA A 28 6.060 -8.257 -6.781 1.00 0.00 O ATOM 402 CB ALA A 28 7.722 -7.838 -9.600 1.00 0.00 C ATOM 0 H ALA A 28 7.444 -5.430 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 28 5.634 -7.520 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.717 -8.897 -9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.556 -7.727 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.686 -7.404 -9.335 1.00 0.00 H new ATOM 408 N GLN A 29 7.511 -6.546 -6.597 1.00 0.00 N ATOM 409 CA GLN A 29 7.579 -6.545 -5.125 1.00 0.00 C ATOM 410 C GLN A 29 6.301 -6.001 -4.442 1.00 0.00 C ATOM 411 O GLN A 29 6.142 -6.149 -3.228 1.00 0.00 O ATOM 412 CB GLN A 29 8.827 -5.766 -4.652 1.00 0.00 C ATOM 413 CG GLN A 29 10.179 -6.442 -4.968 1.00 0.00 C ATOM 414 CD GLN A 29 10.501 -7.650 -4.080 1.00 0.00 C ATOM 415 OE1 GLN A 29 9.660 -8.472 -3.739 1.00 0.00 O ATOM 416 NE2 GLN A 29 11.737 -7.833 -3.660 1.00 0.00 N ATOM 0 H GLN A 29 8.128 -5.858 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 29 7.657 -7.588 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.816 -4.778 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.756 -5.616 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.178 -6.761 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.975 -5.705 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.468 -7.171 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.963 -8.636 -3.073 1.00 0.00 H new ATOM 425 N GLY A 30 5.378 -5.401 -5.204 1.00 0.00 N ATOM 426 CA GLY A 30 4.058 -4.940 -4.746 1.00 0.00 C ATOM 427 C GLY A 30 3.925 -3.419 -4.599 1.00 0.00 C ATOM 428 O GLY A 30 2.827 -2.913 -4.362 1.00 0.00 O ATOM 0 H GLY A 30 5.535 -5.215 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.302 -5.291 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.840 -5.405 -3.784 1.00 0.00 H new ATOM 432 N HIS A 31 5.033 -2.683 -4.727 1.00 0.00 N ATOM 433 CA HIS A 31 5.089 -1.217 -4.668 1.00 0.00 C ATOM 434 C HIS A 31 4.501 -0.568 -5.936 1.00 0.00 C ATOM 435 O HIS A 31 4.180 -1.244 -6.917 1.00 0.00 O ATOM 436 CB HIS A 31 6.556 -0.791 -4.474 1.00 0.00 C ATOM 437 CG HIS A 31 7.223 -1.436 -3.286 1.00 0.00 C ATOM 438 ND1 HIS A 31 6.756 -1.381 -1.971 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.371 -2.171 -3.322 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.646 -2.072 -1.239 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.619 -2.561 -2.024 1.00 0.00 N ATOM 0 H HIS A 31 5.949 -3.105 -4.880 1.00 0.00 H new ATOM 0 HA HIS A 31 4.483 -0.875 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.119 -1.038 -5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.598 0.292 -4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.914 -0.913 -1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.966 -2.401 -4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.587 -2.214 -0.170 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.409 -3.126 -1.712 1.00 0.00 H new ATOM 449 N LYS A 32 4.419 0.765 -5.937 1.00 0.00 N ATOM 450 CA LYS A 32 4.093 1.587 -7.116 1.00 0.00 C ATOM 451 C LYS A 32 5.322 2.392 -7.536 1.00 0.00 C ATOM 452 O LYS A 32 6.120 2.788 -6.692 1.00 0.00 O ATOM 453 CB LYS A 32 2.845 2.438 -6.803 1.00 0.00 C ATOM 454 CG LYS A 32 2.285 3.148 -8.047 1.00 0.00 C ATOM 455 CD LYS A 32 0.878 3.728 -7.826 1.00 0.00 C ATOM 456 CE LYS A 32 0.870 4.830 -6.760 1.00 0.00 C ATOM 457 NZ LYS A 32 -0.490 5.400 -6.552 1.00 0.00 N1+ ATOM 0 H LYS A 32 4.581 1.322 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 32 3.837 0.971 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.072 1.799 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.097 3.182 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.962 3.952 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.255 2.443 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.500 4.131 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.200 2.929 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.241 4.425 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.554 5.625 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.448 6.141 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.835 5.810 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.138 4.648 -6.244 1.00 0.00 H new ATOM 471 N ALA A 33 5.510 2.616 -8.833 1.00 0.00 N ATOM 472 CA ALA A 33 6.692 3.306 -9.354 1.00 0.00 C ATOM 473 C ALA A 33 6.398 4.126 -10.623 1.00 0.00 C ATOM 474 O ALA A 33 5.379 3.930 -11.288 1.00 0.00 O ATOM 475 CB ALA A 33 7.784 2.256 -9.588 1.00 0.00 C ATOM 0 H ALA A 33 4.850 2.326 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 33 7.029 4.040 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.679 2.742 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.020 1.761 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.430 1.517 -10.307 1.00 0.00 H new ATOM 481 N THR A 34 7.288 5.059 -10.973 1.00 0.00 N ATOM 482 CA THR A 34 7.212 5.851 -12.218 1.00 0.00 C ATOM 483 C THR A 34 8.600 6.311 -12.658 1.00 0.00 C ATOM 484 O THR A 34 9.278 7.027 -11.919 1.00 0.00 O ATOM 485 CB THR A 34 6.307 7.083 -12.033 1.00 0.00 C ATOM 486 OG1 THR A 34 5.002 6.663 -11.687 1.00 0.00 O ATOM 487 CG2 THR A 34 6.167 7.922 -13.304 1.00 0.00 C ATOM 0 H THR A 34 8.095 5.294 -10.396 1.00 0.00 H new ATOM 0 HA THR A 34 6.787 5.206 -12.987 1.00 0.00 H new ATOM 0 HB THR A 34 6.776 7.686 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.970 5.684 -11.661 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.517 8.775 -13.107 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.149 8.278 -13.615 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.735 7.312 -14.097 1.00 0.00 H new ATOM 495 N VAL A 35 9.022 5.914 -13.860 1.00 0.00 N ATOM 496 CA VAL A 35 10.243 6.419 -14.510 1.00 0.00 C ATOM 497 C VAL A 35 10.034 7.844 -15.036 1.00 0.00 C ATOM 498 O VAL A 35 8.990 8.147 -15.623 1.00 0.00 O ATOM 499 CB VAL A 35 10.688 5.495 -15.664 1.00 0.00 C ATOM 500 CG1 VAL A 35 11.925 6.013 -16.409 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.058 4.110 -15.131 1.00 0.00 C ATOM 0 H VAL A 35 8.522 5.224 -14.420 1.00 0.00 H new ATOM 0 HA VAL A 35 11.030 6.433 -13.756 1.00 0.00 H new ATOM 0 HB VAL A 35 9.839 5.461 -16.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.186 5.319 -17.208 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.709 6.992 -16.836 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.760 6.097 -15.713 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.369 3.473 -15.959 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.876 4.202 -14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.193 3.667 -14.637 1.00 0.00 H new ATOM 511 N PHE A 36 11.063 8.685 -14.902 1.00 0.00 N ATOM 512 CA PHE A 36 11.141 10.025 -15.489 1.00 0.00 C ATOM 513 C PHE A 36 12.439 10.163 -16.300 1.00 0.00 C ATOM 514 O PHE A 36 13.537 10.161 -15.740 1.00 0.00 O ATOM 515 CB PHE A 36 11.046 11.094 -14.388 1.00 0.00 C ATOM 516 CG PHE A 36 9.770 11.047 -13.562 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.593 11.648 -14.051 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.758 10.418 -12.300 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.414 11.628 -13.283 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.577 10.394 -11.537 1.00 0.00 C ATOM 521 CZ PHE A 36 7.407 11.000 -12.026 1.00 0.00 C ATOM 0 H PHE A 36 11.894 8.443 -14.363 1.00 0.00 H new ATOM 0 HA PHE A 36 10.301 10.174 -16.167 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.899 10.983 -13.719 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.128 12.078 -14.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.596 12.126 -15.019 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.656 9.955 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.516 12.095 -13.659 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.569 9.908 -10.572 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.503 10.983 -11.436 1.00 0.00 H new ATOM 531 N GLU A 37 12.314 10.254 -17.626 1.00 0.00 N ATOM 532 CA GLU A 37 13.423 10.207 -18.594 1.00 0.00 C ATOM 533 C GLU A 37 13.974 11.587 -19.022 1.00 0.00 C ATOM 534 O GLU A 37 15.085 11.668 -19.546 1.00 0.00 O ATOM 535 CB GLU A 37 13.020 9.362 -19.821 1.00 0.00 C ATOM 536 CG GLU A 37 11.897 9.938 -20.701 1.00 0.00 C ATOM 537 CD GLU A 37 10.490 9.656 -20.137 1.00 0.00 C ATOM 538 OE1 GLU A 37 10.026 10.418 -19.254 1.00 0.00 O ATOM 539 OE2 GLU A 37 9.842 8.678 -20.583 1.00 0.00 O1- ATOM 0 H GLU A 37 11.406 10.367 -18.076 1.00 0.00 H new ATOM 0 HA GLU A 37 14.253 9.732 -18.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.903 9.218 -20.443 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.711 8.377 -19.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.035 11.015 -20.799 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.973 9.515 -21.702 1.00 0.00 H new ATOM 546 N ASP A 38 13.227 12.670 -18.774 1.00 0.00 N ATOM 547 CA ASP A 38 13.655 14.065 -18.986 1.00 0.00 C ATOM 548 C ASP A 38 13.112 14.993 -17.863 1.00 0.00 C ATOM 549 O ASP A 38 12.356 15.934 -18.138 1.00 0.00 O ATOM 550 CB ASP A 38 13.242 14.503 -20.403 1.00 0.00 C ATOM 551 CG ASP A 38 13.798 15.883 -20.795 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.996 16.156 -20.542 1.00 0.00 O1- ATOM 553 OD2 ASP A 38 13.051 16.680 -21.416 1.00 0.00 O ATOM 0 H ASP A 38 12.277 12.601 -18.409 1.00 0.00 H new ATOM 0 HA ASP A 38 14.740 14.142 -18.921 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.589 13.761 -21.122 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.154 14.525 -20.467 1.00 0.00 H new ATOM 558 N PRO A 39 13.400 14.689 -16.577 1.00 0.00 N ATOM 559 CA PRO A 39 12.861 15.414 -15.424 1.00 0.00 C ATOM 560 C PRO A 39 13.434 16.835 -15.269 1.00 0.00 C ATOM 561 O PRO A 39 14.494 17.168 -15.809 1.00 0.00 O ATOM 562 CB PRO A 39 13.233 14.555 -14.217 1.00 0.00 C ATOM 563 CG PRO A 39 14.539 13.885 -14.635 1.00 0.00 C ATOM 564 CD PRO A 39 14.319 13.649 -16.124 1.00 0.00 C ATOM 0 HA PRO A 39 11.787 15.561 -15.537 1.00 0.00 H new ATOM 0 HB2 PRO A 39 13.363 15.161 -13.320 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.459 13.820 -13.996 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.402 14.524 -14.447 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.709 12.953 -14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.262 13.700 -16.668 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.902 12.658 -16.302 1.00 0.00 H new ATOM 572 N GLU A 40 12.757 17.670 -14.475 1.00 0.00 N ATOM 573 CA GLU A 40 13.150 19.064 -14.217 1.00 0.00 C ATOM 574 C GLU A 40 12.884 19.529 -12.785 1.00 0.00 C ATOM 575 O GLU A 40 13.760 20.172 -12.204 1.00 0.00 O ATOM 576 CB GLU A 40 12.420 20.036 -15.164 1.00 0.00 C ATOM 577 CG GLU A 40 12.727 19.831 -16.650 1.00 0.00 C ATOM 578 CD GLU A 40 12.113 20.959 -17.498 1.00 0.00 C ATOM 579 OE1 GLU A 40 10.936 20.843 -17.919 1.00 0.00 O ATOM 580 OE2 GLU A 40 12.799 21.980 -17.747 1.00 0.00 O1- ATOM 0 H GLU A 40 11.906 17.395 -13.984 1.00 0.00 H new ATOM 0 HA GLU A 40 14.226 19.079 -14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.346 19.933 -15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.685 21.057 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.806 19.802 -16.802 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.333 18.869 -16.977 1.00 0.00 H new ATOM 587 N LEU A 41 11.712 19.213 -12.218 1.00 0.00 N ATOM 588 CA LEU A 41 11.404 19.403 -10.795 1.00 0.00 C ATOM 589 C LEU A 41 9.987 18.950 -10.420 1.00 0.00 C ATOM 590 O LEU A 41 9.817 18.313 -9.386 1.00 0.00 O ATOM 591 CB LEU A 41 11.572 20.873 -10.338 1.00 0.00 C ATOM 592 CG LEU A 41 12.498 21.026 -9.120 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.599 22.508 -8.770 1.00 0.00 C ATOM 594 CD2 LEU A 41 11.997 20.291 -7.872 1.00 0.00 C ATOM 0 H LEU A 41 10.937 18.811 -12.746 1.00 0.00 H new ATOM 0 HA LEU A 41 12.130 18.774 -10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.970 21.461 -11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.593 21.286 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 41 13.457 20.590 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.253 22.634 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.009 23.055 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.608 22.894 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.700 20.443 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.019 20.681 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.915 19.225 -8.086 1.00 0.00 H new ATOM 606 N SER A 42 8.969 19.291 -11.228 1.00 0.00 N ATOM 607 CA SER A 42 7.549 18.994 -10.923 1.00 0.00 C ATOM 608 C SER A 42 7.294 17.489 -10.747 1.00 0.00 C ATOM 609 O SER A 42 6.410 17.061 -10.005 1.00 0.00 O ATOM 610 CB SER A 42 6.633 19.538 -12.027 1.00 0.00 C ATOM 611 OG SER A 42 6.854 20.926 -12.220 1.00 0.00 O ATOM 0 H SER A 42 9.102 19.781 -12.113 1.00 0.00 H new ATOM 0 HA SER A 42 7.322 19.489 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.818 19.002 -12.958 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.590 19.364 -11.761 1.00 0.00 H new ATOM 0 HG SER A 42 6.263 21.256 -12.929 1.00 0.00 H new ATOM 617 N ASP A 43 8.111 16.701 -11.436 1.00 0.00 N ATOM 618 CA ASP A 43 8.289 15.255 -11.340 1.00 0.00 C ATOM 619 C ASP A 43 8.769 14.810 -9.937 1.00 0.00 C ATOM 620 O ASP A 43 8.101 13.993 -9.304 1.00 0.00 O ATOM 621 CB ASP A 43 9.294 14.862 -12.438 1.00 0.00 C ATOM 622 CG ASP A 43 10.462 15.866 -12.520 1.00 0.00 C ATOM 623 OD1 ASP A 43 11.439 15.727 -11.760 1.00 0.00 O ATOM 624 OD2 ASP A 43 10.333 16.866 -13.272 1.00 0.00 O1- ATOM 0 H ASP A 43 8.727 17.097 -12.146 1.00 0.00 H new ATOM 0 HA ASP A 43 7.335 14.747 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.684 13.864 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.784 14.816 -13.400 1.00 0.00 H new ATOM 629 N TRP A 44 9.878 15.358 -9.423 1.00 0.00 N ATOM 630 CA TRP A 44 10.438 15.069 -8.096 1.00 0.00 C ATOM 631 C TRP A 44 9.575 15.586 -6.934 1.00 0.00 C ATOM 632 O TRP A 44 9.400 14.896 -5.926 1.00 0.00 O ATOM 633 CB TRP A 44 11.855 15.658 -8.015 1.00 0.00 C ATOM 634 CG TRP A 44 12.618 15.310 -6.777 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.507 15.911 -5.569 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.617 14.258 -6.609 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.351 15.294 -4.664 1.00 0.00 N ATOM 638 CE2 TRP A 44 14.044 14.256 -5.250 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.200 13.302 -7.467 1.00 0.00 C ATOM 640 CZ2 TRP A 44 14.975 13.328 -4.768 1.00 0.00 C ATOM 641 CZ3 TRP A 44 15.123 12.354 -6.985 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.512 12.369 -5.639 1.00 0.00 C ATOM 0 H TRP A 44 10.431 16.041 -9.940 1.00 0.00 H new ATOM 0 HA TRP A 44 10.462 13.985 -7.984 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.423 15.317 -8.881 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.785 16.743 -8.087 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.858 16.745 -5.346 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.448 15.571 -3.687 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.933 13.297 -8.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.278 13.351 -3.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.533 11.613 -7.655 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.224 11.644 -5.273 1.00 0.00 H new ATOM 653 N LEU A 45 9.025 16.795 -7.085 1.00 0.00 N ATOM 654 CA LEU A 45 8.322 17.593 -6.074 1.00 0.00 C ATOM 655 C LEU A 45 7.424 16.786 -5.100 1.00 0.00 C ATOM 656 O LEU A 45 7.661 16.881 -3.889 1.00 0.00 O ATOM 657 CB LEU A 45 7.608 18.735 -6.839 1.00 0.00 C ATOM 658 CG LEU A 45 6.862 19.840 -6.068 1.00 0.00 C ATOM 659 CD1 LEU A 45 5.689 19.370 -5.209 1.00 0.00 C ATOM 660 CD2 LEU A 45 7.818 20.665 -5.206 1.00 0.00 C ATOM 0 H LEU A 45 9.062 17.277 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 45 9.038 18.010 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.358 19.225 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.889 18.271 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 45 6.430 20.454 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.236 20.227 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.946 18.884 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.047 18.663 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.258 21.435 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.311 20.014 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.568 21.135 -5.842 1.00 0.00 H new ATOM 672 N PRO A 46 6.434 15.982 -5.547 1.00 0.00 N ATOM 673 CA PRO A 46 5.505 15.293 -4.642 1.00 0.00 C ATOM 674 C PRO A 46 6.109 14.100 -3.880 1.00 0.00 C ATOM 675 O PRO A 46 5.555 13.691 -2.856 1.00 0.00 O ATOM 676 CB PRO A 46 4.333 14.848 -5.526 1.00 0.00 C ATOM 677 CG PRO A 46 4.966 14.690 -6.906 1.00 0.00 C ATOM 678 CD PRO A 46 6.003 15.802 -6.928 1.00 0.00 C ATOM 0 HA PRO A 46 5.207 15.974 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.898 13.912 -5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.533 15.588 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.422 13.708 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.232 14.805 -7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.845 15.537 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.578 16.723 -7.327 1.00 0.00 H new ATOM 686 N TYR A 47 7.236 13.535 -4.328 1.00 0.00 N ATOM 687 CA TYR A 47 7.858 12.366 -3.688 1.00 0.00 C ATOM 688 C TYR A 47 8.660 12.697 -2.418 1.00 0.00 C ATOM 689 O TYR A 47 9.086 11.781 -1.717 1.00 0.00 O ATOM 690 CB TYR A 47 8.740 11.608 -4.685 1.00 0.00 C ATOM 691 CG TYR A 47 7.986 10.955 -5.822 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.438 9.667 -5.662 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.853 11.631 -7.048 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.760 9.056 -6.735 1.00 0.00 C ATOM 695 CE2 TYR A 47 7.174 11.021 -8.119 1.00 0.00 C ATOM 696 CZ TYR A 47 6.627 9.732 -7.968 1.00 0.00 C ATOM 697 OH TYR A 47 5.976 9.148 -9.010 1.00 0.00 O ATOM 0 H TYR A 47 7.744 13.874 -5.145 1.00 0.00 H new ATOM 0 HA TYR A 47 7.030 11.733 -3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.472 12.300 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.297 10.841 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.537 9.150 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.272 12.619 -7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.341 8.068 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.072 11.543 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 47 5.978 9.755 -9.779 1.00 0.00 H new ATOM 707 N GLN A 48 8.835 13.979 -2.067 1.00 0.00 N ATOM 708 CA GLN A 48 9.470 14.402 -0.803 1.00 0.00 C ATOM 709 C GLN A 48 8.799 13.792 0.448 1.00 0.00 C ATOM 710 O GLN A 48 9.470 13.535 1.446 1.00 0.00 O ATOM 711 CB GLN A 48 9.444 15.933 -0.706 1.00 0.00 C ATOM 712 CG GLN A 48 10.361 16.622 -1.729 1.00 0.00 C ATOM 713 CD GLN A 48 10.205 18.139 -1.650 1.00 0.00 C ATOM 714 OE1 GLN A 48 11.008 18.848 -1.058 1.00 0.00 O ATOM 715 NE2 GLN A 48 9.155 18.687 -2.224 1.00 0.00 N ATOM 0 H GLN A 48 8.539 14.759 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 48 10.496 14.034 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.422 16.282 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.743 16.232 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.399 16.347 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.118 16.277 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.481 18.103 -2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.015 19.696 -2.174 1.00 0.00 H new ATOM 724 N ASP A 49 7.488 13.527 0.388 1.00 0.00 N ATOM 725 CA ASP A 49 6.700 12.869 1.448 1.00 0.00 C ATOM 726 C ASP A 49 6.729 11.322 1.369 1.00 0.00 C ATOM 727 O ASP A 49 6.051 10.640 2.143 1.00 0.00 O ATOM 728 CB ASP A 49 5.261 13.407 1.348 1.00 0.00 C ATOM 729 CG ASP A 49 4.392 13.059 2.570 1.00 0.00 C ATOM 730 OD1 ASP A 49 4.789 13.392 3.715 1.00 0.00 O1- ATOM 731 OD2 ASP A 49 3.277 12.513 2.386 1.00 0.00 O ATOM 0 H ASP A 49 6.924 13.771 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 49 7.143 13.105 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.293 14.490 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.792 13.003 0.451 1.00 0.00 H new ATOM 736 N LYS A 50 7.510 10.760 0.435 1.00 0.00 N ATOM 737 CA LYS A 50 7.518 9.340 0.039 1.00 0.00 C ATOM 738 C LYS A 50 8.961 8.817 -0.114 1.00 0.00 C ATOM 739 O LYS A 50 9.810 9.088 0.739 1.00 0.00 O ATOM 740 CB LYS A 50 6.653 9.172 -1.236 1.00 0.00 C ATOM 741 CG LYS A 50 5.310 9.918 -1.167 1.00 0.00 C ATOM 742 CD LYS A 50 4.385 9.561 -2.328 1.00 0.00 C ATOM 743 CE LYS A 50 3.239 10.578 -2.360 1.00 0.00 C ATOM 744 NZ LYS A 50 2.166 10.153 -3.299 1.00 0.00 N1+ ATOM 0 H LYS A 50 8.188 11.309 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 50 7.073 8.723 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.216 9.531 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.463 8.111 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.814 9.682 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.494 10.992 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.934 9.577 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.993 8.551 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.824 10.694 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.623 11.553 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.685 10.993 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.584 9.609 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.478 9.559 -2.794 1.00 0.00 H new ATOM 758 N TYR A 51 9.228 8.057 -1.178 1.00 0.00 N ATOM 759 CA TYR A 51 10.542 7.522 -1.536 1.00 0.00 C ATOM 760 C TYR A 51 10.866 7.821 -3.009 1.00 0.00 C ATOM 761 O TYR A 51 9.985 8.091 -3.828 1.00 0.00 O ATOM 762 CB TYR A 51 10.569 6.003 -1.306 1.00 0.00 C ATOM 763 CG TYR A 51 10.443 5.495 0.119 1.00 0.00 C ATOM 764 CD1 TYR A 51 9.178 5.332 0.718 1.00 0.00 C ATOM 765 CD2 TYR A 51 11.597 5.049 0.792 1.00 0.00 C ATOM 766 CE1 TYR A 51 9.068 4.715 1.982 1.00 0.00 C ATOM 767 CE2 TYR A 51 11.493 4.430 2.052 1.00 0.00 C ATOM 768 CZ TYR A 51 10.225 4.255 2.645 1.00 0.00 C ATOM 769 OH TYR A 51 10.115 3.599 3.833 1.00 0.00 O ATOM 0 H TYR A 51 8.503 7.786 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 51 11.291 8.001 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.761 5.563 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.504 5.620 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.291 5.680 0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.568 5.183 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.098 4.595 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.381 4.090 2.563 1.00 0.00 H new ATOM 0 HH TYR A 51 11.007 3.350 4.153 1.00 0.00 H new ATOM 779 N VAL A 52 12.152 7.756 -3.344 1.00 0.00 N ATOM 780 CA VAL A 52 12.702 8.069 -4.674 1.00 0.00 C ATOM 781 C VAL A 52 13.879 7.150 -4.992 1.00 0.00 C ATOM 782 O VAL A 52 14.355 6.421 -4.124 1.00 0.00 O ATOM 783 CB VAL A 52 13.133 9.548 -4.774 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.948 10.509 -4.689 1.00 0.00 C ATOM 785 CG2 VAL A 52 14.163 9.944 -3.714 1.00 0.00 C ATOM 0 H VAL A 52 12.871 7.475 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 52 11.914 7.902 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 52 13.595 9.633 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.306 11.536 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.255 10.305 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.436 10.372 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.426 10.995 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.741 9.789 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.057 9.331 -3.828 1.00 0.00 H new ATOM 795 N LEU A 53 14.358 7.152 -6.233 1.00 0.00 N ATOM 796 CA LEU A 53 15.531 6.388 -6.657 1.00 0.00 C ATOM 797 C LEU A 53 16.118 6.998 -7.935 1.00 0.00 C ATOM 798 O LEU A 53 15.412 7.560 -8.772 1.00 0.00 O ATOM 799 CB LEU A 53 15.139 4.894 -6.724 1.00 0.00 C ATOM 800 CG LEU A 53 15.673 3.989 -7.848 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.132 3.573 -7.650 1.00 0.00 C ATOM 802 CD2 LEU A 53 14.870 2.687 -7.894 1.00 0.00 C ATOM 0 H LEU A 53 13.935 7.694 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 53 16.351 6.444 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.439 4.442 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.051 4.850 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 53 15.583 4.577 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.444 2.936 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.762 4.462 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.230 3.024 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.253 2.051 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.963 2.168 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.821 2.913 -8.083 1.00 0.00 H new ATOM 814 N VAL A 54 17.437 6.897 -8.055 1.00 0.00 N ATOM 815 CA VAL A 54 18.247 7.578 -9.067 1.00 0.00 C ATOM 816 C VAL A 54 18.908 6.543 -9.974 1.00 0.00 C ATOM 817 O VAL A 54 19.532 5.603 -9.478 1.00 0.00 O ATOM 818 CB VAL A 54 19.331 8.411 -8.361 1.00 0.00 C ATOM 819 CG1 VAL A 54 20.155 9.236 -9.356 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.756 9.359 -7.294 1.00 0.00 C ATOM 0 H VAL A 54 17.995 6.318 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 54 17.614 8.230 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 54 19.974 7.682 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.909 9.809 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.645 8.568 -10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.498 9.918 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.567 9.920 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 54 18.057 10.052 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.236 8.777 -6.533 1.00 0.00 H new ATOM 830 N VAL A 55 18.810 6.721 -11.291 1.00 0.00 N ATOM 831 CA VAL A 55 19.436 5.852 -12.303 1.00 0.00 C ATOM 832 C VAL A 55 20.084 6.760 -13.358 1.00 0.00 C ATOM 833 O VAL A 55 19.486 7.084 -14.381 1.00 0.00 O ATOM 834 CB VAL A 55 18.419 4.848 -12.884 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.144 3.768 -13.687 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.601 4.110 -11.811 1.00 0.00 C ATOM 0 H VAL A 55 18.281 7.491 -11.700 1.00 0.00 H new ATOM 0 HA VAL A 55 20.213 5.229 -11.860 1.00 0.00 H new ATOM 0 HB VAL A 55 17.746 5.447 -13.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.416 3.065 -14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.695 4.231 -14.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.839 3.236 -13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.907 3.421 -12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.274 3.552 -11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.041 4.834 -11.218 1.00 0.00 H new ATOM 846 N THR A 56 21.329 7.172 -13.109 1.00 0.00 N ATOM 847 CA THR A 56 22.011 8.245 -13.873 1.00 0.00 C ATOM 848 C THR A 56 23.370 7.822 -14.434 1.00 0.00 C ATOM 849 O THR A 56 23.946 6.820 -14.023 1.00 0.00 O ATOM 850 CB THR A 56 22.094 9.480 -12.946 1.00 0.00 C ATOM 851 OG1 THR A 56 20.777 9.911 -12.695 1.00 0.00 O ATOM 852 CG2 THR A 56 22.830 10.714 -13.475 1.00 0.00 C ATOM 0 H THR A 56 21.906 6.774 -12.368 1.00 0.00 H new ATOM 0 HA THR A 56 21.435 8.485 -14.767 1.00 0.00 H new ATOM 0 HB THR A 56 22.664 9.128 -12.086 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.784 10.588 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.810 11.501 -12.721 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.864 10.453 -13.699 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.341 11.068 -14.382 1.00 0.00 H new ATOM 860 N SER A 57 23.898 8.592 -15.390 1.00 0.00 N ATOM 861 CA SER A 57 25.173 8.324 -16.074 1.00 0.00 C ATOM 862 C SER A 57 26.120 9.535 -16.087 1.00 0.00 C ATOM 863 O SER A 57 25.866 10.516 -15.393 1.00 0.00 O ATOM 864 CB SER A 57 24.885 7.771 -17.473 1.00 0.00 C ATOM 865 OG SER A 57 24.228 8.749 -18.264 1.00 0.00 O ATOM 0 H SER A 57 23.441 9.442 -15.720 1.00 0.00 H new ATOM 0 HA SER A 57 25.717 7.569 -15.507 1.00 0.00 H new ATOM 0 HB2 SER A 57 25.817 7.472 -17.952 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.265 6.878 -17.398 1.00 0.00 H new ATOM 0 HG SER A 57 23.379 8.996 -17.841 1.00 0.00 H new ATOM 871 N THR A 58 27.244 9.463 -16.814 1.00 0.00 N ATOM 872 CA THR A 58 28.295 10.507 -16.846 1.00 0.00 C ATOM 873 C THR A 58 28.769 10.749 -18.285 1.00 0.00 C ATOM 874 O THR A 58 29.047 9.787 -18.992 1.00 0.00 O ATOM 875 CB THR A 58 29.476 10.070 -15.967 1.00 0.00 C ATOM 876 OG1 THR A 58 29.021 9.727 -14.681 1.00 0.00 O ATOM 877 CG2 THR A 58 30.498 11.172 -15.745 1.00 0.00 C ATOM 0 H THR A 58 27.459 8.664 -17.411 1.00 0.00 H new ATOM 0 HA THR A 58 27.882 11.439 -16.460 1.00 0.00 H new ATOM 0 HB THR A 58 29.933 9.236 -16.499 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.547 8.870 -14.719 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.306 10.798 -15.116 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.903 11.491 -16.705 1.00 0.00 H new ATOM 0 HG23 THR A 58 30.019 12.019 -15.254 1.00 0.00 H new ATOM 885 N THR A 59 28.865 12.004 -18.740 1.00 0.00 N ATOM 886 CA THR A 59 29.098 12.389 -20.149 1.00 0.00 C ATOM 887 C THR A 59 29.667 13.816 -20.226 1.00 0.00 C ATOM 888 O THR A 59 30.104 14.350 -19.208 1.00 0.00 O ATOM 889 CB THR A 59 27.772 12.223 -20.925 1.00 0.00 C ATOM 890 OG1 THR A 59 27.987 12.328 -22.306 1.00 0.00 O ATOM 891 CG2 THR A 59 26.720 13.270 -20.568 1.00 0.00 C ATOM 0 H THR A 59 28.781 12.811 -18.122 1.00 0.00 H new ATOM 0 HA THR A 59 29.844 11.742 -20.611 1.00 0.00 H new ATOM 0 HB THR A 59 27.406 11.236 -20.642 1.00 0.00 H new ATOM 0 HG1 THR A 59 27.136 12.218 -22.779 1.00 0.00 H new ATOM 0 HG21 THR A 59 25.816 13.091 -21.151 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.486 13.203 -19.506 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.106 14.265 -20.792 1.00 0.00 H new ATOM 930 N ASP A 63 30.809 14.532 -16.468 1.00 0.00 N ATOM 931 CA ASP A 63 29.815 15.291 -15.699 1.00 0.00 C ATOM 932 C ASP A 63 28.364 14.795 -15.865 1.00 0.00 C ATOM 933 O ASP A 63 28.092 13.848 -16.605 1.00 0.00 O ATOM 934 CB ASP A 63 29.920 16.751 -16.186 1.00 0.00 C ATOM 935 CG ASP A 63 29.718 17.801 -15.081 1.00 0.00 C ATOM 936 OD1 ASP A 63 29.079 17.482 -14.048 1.00 0.00 O ATOM 937 OD2 ASP A 63 30.215 18.938 -15.264 1.00 0.00 O1- ATOM 0 HA ASP A 63 30.034 15.170 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.900 16.901 -16.639 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.178 16.916 -16.968 1.00 0.00 H new ATOM 942 N LEU A 64 27.430 15.469 -15.187 1.00 0.00 N ATOM 943 CA LEU A 64 25.978 15.314 -15.304 1.00 0.00 C ATOM 944 C LEU A 64 25.477 15.449 -16.769 1.00 0.00 C ATOM 945 O LEU A 64 25.755 16.468 -17.411 1.00 0.00 O ATOM 946 CB LEU A 64 25.312 16.400 -14.434 1.00 0.00 C ATOM 947 CG LEU A 64 25.424 16.162 -12.916 1.00 0.00 C ATOM 948 CD1 LEU A 64 25.300 17.486 -12.172 1.00 0.00 C ATOM 949 CD2 LEU A 64 24.315 15.234 -12.418 1.00 0.00 C ATOM 0 H LEU A 64 27.683 16.180 -14.501 1.00 0.00 H new ATOM 0 HA LEU A 64 25.713 14.311 -14.970 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.762 17.364 -14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 64 24.257 16.466 -14.702 1.00 0.00 H new ATOM 0 HG LEU A 64 26.394 15.702 -12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 64 25.380 17.310 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 64 26.097 18.158 -12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 64 24.334 17.939 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.421 15.085 -11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 23.344 15.682 -12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.389 14.273 -12.927 1.00 0.00 H new ATOM 961 N PRO A 65 24.728 14.461 -17.307 1.00 0.00 N ATOM 962 CA PRO A 65 24.018 14.555 -18.584 1.00 0.00 C ATOM 963 C PRO A 65 23.015 15.709 -18.602 1.00 0.00 C ATOM 964 O PRO A 65 22.310 15.955 -17.622 1.00 0.00 O ATOM 965 CB PRO A 65 23.297 13.214 -18.761 1.00 0.00 C ATOM 966 CG PRO A 65 24.105 12.261 -17.893 1.00 0.00 C ATOM 967 CD PRO A 65 24.507 13.154 -16.729 1.00 0.00 C ATOM 0 HA PRO A 65 24.717 14.756 -19.396 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.258 13.271 -18.436 1.00 0.00 H new ATOM 0 HB3 PRO A 65 23.288 12.897 -19.804 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.513 11.406 -17.566 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.972 11.864 -18.421 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.725 13.187 -15.971 1.00 0.00 H new ATOM 0 HD3 PRO A 65 25.408 12.782 -16.242 1.00 0.00 H new ATOM 975 N ASP A 66 22.879 16.386 -19.739 1.00 0.00 N ATOM 976 CA ASP A 66 21.999 17.558 -19.835 1.00 0.00 C ATOM 977 C ASP A 66 20.504 17.235 -19.615 1.00 0.00 C ATOM 978 O ASP A 66 19.725 18.108 -19.231 1.00 0.00 O ATOM 979 CB ASP A 66 22.237 18.247 -21.184 1.00 0.00 C ATOM 980 CG ASP A 66 21.495 19.588 -21.296 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.852 20.544 -20.564 1.00 0.00 O1- ATOM 982 OD2 ASP A 66 20.579 19.705 -22.145 1.00 0.00 O ATOM 0 H ASP A 66 23.362 16.149 -20.605 1.00 0.00 H new ATOM 0 HA ASP A 66 22.257 18.234 -19.020 1.00 0.00 H new ATOM 0 HB2 ASP A 66 23.306 18.414 -21.320 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.912 17.587 -21.988 1.00 0.00 H new ATOM 987 N SER A 67 20.115 15.965 -19.778 1.00 0.00 N ATOM 988 CA SER A 67 18.799 15.416 -19.417 1.00 0.00 C ATOM 989 C SER A 67 18.493 15.400 -17.906 1.00 0.00 C ATOM 990 O SER A 67 17.337 15.200 -17.534 1.00 0.00 O ATOM 991 CB SER A 67 18.709 13.990 -19.969 1.00 0.00 C ATOM 992 OG SER A 67 19.824 13.251 -19.529 1.00 0.00 O ATOM 0 H SER A 67 20.733 15.261 -20.182 1.00 0.00 H new ATOM 0 HA SER A 67 18.054 16.080 -19.855 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.787 13.515 -19.633 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.678 14.010 -21.058 1.00 0.00 H new ATOM 0 HG SER A 67 20.271 12.844 -20.300 1.00 0.00 H new ATOM 998 N ILE A 68 19.483 15.646 -17.031 1.00 0.00 N ATOM 999 CA ILE A 68 19.300 15.734 -15.564 1.00 0.00 C ATOM 1000 C ILE A 68 19.949 16.968 -14.919 1.00 0.00 C ATOM 1001 O ILE A 68 19.575 17.325 -13.806 1.00 0.00 O ATOM 1002 CB ILE A 68 19.721 14.414 -14.878 1.00 0.00 C ATOM 1003 CG1 ILE A 68 19.055 14.256 -13.496 1.00 0.00 C ATOM 1004 CG2 ILE A 68 21.251 14.262 -14.808 1.00 0.00 C ATOM 1005 CD1 ILE A 68 19.230 12.868 -12.870 1.00 0.00 C ATOM 0 H ILE A 68 20.449 15.792 -17.323 1.00 0.00 H new ATOM 0 HA ILE A 68 18.232 15.877 -15.398 1.00 0.00 H new ATOM 0 HB ILE A 68 19.358 13.597 -15.501 1.00 0.00 H new ATOM 0 HG12 ILE A 68 19.469 15.003 -12.818 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.990 14.467 -13.592 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.501 13.321 -14.319 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.664 14.267 -15.817 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.673 15.090 -14.239 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.733 12.841 -11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.790 12.116 -13.525 1.00 0.00 H new ATOM 0 HD13 ILE A 68 20.292 12.659 -12.739 1.00 0.00 H new ATOM 1017 N VAL A 69 20.834 17.694 -15.616 1.00 0.00 N ATOM 1018 CA VAL A 69 21.349 19.009 -15.174 1.00 0.00 C ATOM 1019 C VAL A 69 20.244 19.940 -14.643 1.00 0.00 C ATOM 1020 O VAL A 69 20.401 20.426 -13.521 1.00 0.00 O ATOM 1021 CB VAL A 69 22.185 19.693 -16.280 1.00 0.00 C ATOM 1022 CG1 VAL A 69 22.478 21.175 -16.005 1.00 0.00 C ATOM 1023 CG2 VAL A 69 23.541 18.996 -16.420 1.00 0.00 C ATOM 0 H VAL A 69 21.219 17.388 -16.510 1.00 0.00 H new ATOM 0 HA VAL A 69 22.010 18.809 -14.331 1.00 0.00 H new ATOM 0 HB VAL A 69 21.582 19.617 -17.185 1.00 0.00 H new ATOM 0 HG11 VAL A 69 23.068 21.587 -16.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 21.539 21.722 -15.923 1.00 0.00 H new ATOM 0 HG13 VAL A 69 23.035 21.269 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 69 24.123 19.485 -17.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 24.080 19.056 -15.475 1.00 0.00 H new ATOM 0 HG23 VAL A 69 23.387 17.950 -16.684 1.00 0.00 H new ATOM 1033 N PRO A 70 19.099 20.162 -15.328 1.00 0.00 N ATOM 1034 CA PRO A 70 18.055 21.044 -14.807 1.00 0.00 C ATOM 1035 C PRO A 70 17.362 20.499 -13.547 1.00 0.00 C ATOM 1036 O PRO A 70 16.891 21.294 -12.734 1.00 0.00 O ATOM 1037 CB PRO A 70 17.064 21.234 -15.964 1.00 0.00 C ATOM 1038 CG PRO A 70 17.225 19.960 -16.784 1.00 0.00 C ATOM 1039 CD PRO A 70 18.719 19.679 -16.651 1.00 0.00 C ATOM 0 HA PRO A 70 18.488 21.989 -14.478 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.043 21.352 -15.602 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.298 22.122 -16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.620 19.143 -16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.929 20.104 -17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.927 18.614 -16.753 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.284 20.190 -17.431 1.00 0.00 H new ATOM 1047 N LEU A 71 17.355 19.174 -13.334 1.00 0.00 N ATOM 1048 CA LEU A 71 16.800 18.570 -12.118 1.00 0.00 C ATOM 1049 C LEU A 71 17.764 18.765 -10.949 1.00 0.00 C ATOM 1050 O LEU A 71 17.356 19.145 -9.851 1.00 0.00 O ATOM 1051 CB LEU A 71 16.486 17.073 -12.337 1.00 0.00 C ATOM 1052 CG LEU A 71 15.821 16.442 -11.091 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.445 17.049 -10.805 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.679 14.929 -11.244 1.00 0.00 C ATOM 0 H LEU A 71 17.732 18.497 -13.997 1.00 0.00 H new ATOM 0 HA LEU A 71 15.861 19.070 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.827 16.961 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.407 16.538 -12.569 1.00 0.00 H new ATOM 0 HG LEU A 71 16.479 16.660 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.015 16.576 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.549 18.120 -10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.790 16.884 -11.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.208 14.516 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.063 14.708 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.665 14.482 -11.374 1.00 0.00 H new ATOM 1066 N PHE A 72 19.055 18.558 -11.210 1.00 0.00 N ATOM 1067 CA PHE A 72 20.124 18.772 -10.258 1.00 0.00 C ATOM 1068 C PHE A 72 20.177 20.245 -9.805 1.00 0.00 C ATOM 1069 O PHE A 72 20.174 20.505 -8.603 1.00 0.00 O ATOM 1070 CB PHE A 72 21.408 18.242 -10.911 1.00 0.00 C ATOM 1071 CG PHE A 72 22.660 18.565 -10.133 1.00 0.00 C ATOM 1072 CD1 PHE A 72 23.138 17.696 -9.137 1.00 0.00 C ATOM 1073 CD2 PHE A 72 23.335 19.761 -10.411 1.00 0.00 C ATOM 1074 CE1 PHE A 72 24.286 18.044 -8.400 1.00 0.00 C ATOM 1075 CE2 PHE A 72 24.494 20.102 -9.690 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.965 19.243 -8.681 1.00 0.00 C ATOM 0 H PHE A 72 19.386 18.228 -12.117 1.00 0.00 H new ATOM 0 HA PHE A 72 19.968 18.227 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 72 21.329 17.161 -11.023 1.00 0.00 H new ATOM 0 HB3 PHE A 72 21.495 18.661 -11.914 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.627 16.766 -8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.965 20.422 -11.180 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.645 17.390 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 72 25.020 21.019 -9.910 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.850 19.505 -8.121 1.00 0.00 H new ATOM 1086 N GLN A 73 20.105 21.226 -10.719 1.00 0.00 N ATOM 1087 CA GLN A 73 19.993 22.644 -10.326 1.00 0.00 C ATOM 1088 C GLN A 73 18.687 22.945 -9.567 1.00 0.00 C ATOM 1089 O GLN A 73 18.711 23.631 -8.546 1.00 0.00 O ATOM 1090 CB GLN A 73 20.095 23.588 -11.541 1.00 0.00 C ATOM 1091 CG GLN A 73 21.379 23.499 -12.380 1.00 0.00 C ATOM 1092 CD GLN A 73 22.686 23.535 -11.590 1.00 0.00 C ATOM 1093 OE1 GLN A 73 22.836 24.198 -10.569 1.00 0.00 O ATOM 1094 NE2 GLN A 73 23.683 22.798 -12.028 1.00 0.00 N ATOM 0 H GLN A 73 20.122 21.068 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 73 20.834 22.827 -9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 73 19.246 23.392 -12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 73 19.992 24.613 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 73 21.350 22.576 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 73 21.384 24.323 -13.094 1.00 0.00 H new ATOM 0 HE21 GLN A 73 23.572 22.242 -12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 73 24.567 22.783 -11.520 1.00 0.00 H new ATOM 1103 N GLY A 74 17.553 22.407 -10.032 1.00 0.00 N ATOM 1104 CA GLY A 74 16.224 22.663 -9.481 1.00 0.00 C ATOM 1105 C GLY A 74 16.086 22.199 -8.035 1.00 0.00 C ATOM 1106 O GLY A 74 15.688 22.996 -7.186 1.00 0.00 O ATOM 0 H GLY A 74 17.538 21.764 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.012 23.731 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.478 22.157 -10.093 1.00 0.00 H new ATOM 1110 N ILE A 75 16.467 20.954 -7.723 1.00 0.00 N ATOM 1111 CA ILE A 75 16.438 20.417 -6.359 1.00 0.00 C ATOM 1112 C ILE A 75 17.396 21.207 -5.456 1.00 0.00 C ATOM 1113 O ILE A 75 17.002 21.623 -4.362 1.00 0.00 O ATOM 1114 CB ILE A 75 16.778 18.908 -6.405 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.607 18.118 -7.037 1.00 0.00 C ATOM 1116 CG2 ILE A 75 17.144 18.340 -5.019 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.953 16.658 -7.353 1.00 0.00 C ATOM 0 H ILE A 75 16.806 20.287 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 75 15.442 20.526 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 75 17.664 18.793 -7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.755 18.142 -6.358 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.297 18.616 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.373 17.278 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.014 18.867 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.303 18.473 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 75 15.086 16.166 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.785 16.625 -8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.234 16.144 -6.434 1.00 0.00 H new ATOM 1129 N LYS A 76 18.629 21.460 -5.925 1.00 0.00 N ATOM 1130 CA LYS A 76 19.677 22.179 -5.180 1.00 0.00 C ATOM 1131 C LYS A 76 19.245 23.587 -4.760 1.00 0.00 C ATOM 1132 O LYS A 76 19.425 23.966 -3.605 1.00 0.00 O ATOM 1133 CB LYS A 76 20.954 22.213 -6.040 1.00 0.00 C ATOM 1134 CG LYS A 76 22.179 22.781 -5.310 1.00 0.00 C ATOM 1135 CD LYS A 76 23.491 22.429 -6.032 1.00 0.00 C ATOM 1136 CE LYS A 76 23.543 22.791 -7.528 1.00 0.00 C ATOM 1137 NZ LYS A 76 23.522 24.263 -7.778 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.932 21.164 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 76 19.870 21.645 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.181 21.201 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.764 22.811 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.086 23.864 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.209 22.391 -4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.312 22.936 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.666 21.358 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 76 24.447 22.367 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.696 22.331 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.287 24.442 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.807 24.708 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.457 24.665 -7.565 1.00 0.00 H new ATOM 1151 N ASP A 77 18.660 24.343 -5.690 1.00 0.00 N ATOM 1152 CA ASP A 77 18.267 25.740 -5.479 1.00 0.00 C ATOM 1153 C ASP A 77 16.870 25.902 -4.849 1.00 0.00 C ATOM 1154 O ASP A 77 16.668 26.828 -4.056 1.00 0.00 O ATOM 1155 CB ASP A 77 18.319 26.463 -6.832 1.00 0.00 C ATOM 1156 CG ASP A 77 18.075 27.974 -6.690 1.00 0.00 C ATOM 1157 OD1 ASP A 77 18.956 28.681 -6.143 1.00 0.00 O ATOM 1158 OD2 ASP A 77 17.019 28.469 -7.154 1.00 0.00 O1- ATOM 0 H ASP A 77 18.442 23.999 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 77 18.967 26.176 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.291 26.295 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.570 26.036 -7.499 1.00 0.00 H new ATOM 1163 N SER A 78 15.918 25.006 -5.159 1.00 0.00 N ATOM 1164 CA SER A 78 14.500 25.216 -4.782 1.00 0.00 C ATOM 1165 C SER A 78 14.036 24.486 -3.516 1.00 0.00 C ATOM 1166 O SER A 78 13.141 24.992 -2.834 1.00 0.00 O ATOM 1167 CB SER A 78 13.543 24.821 -5.916 1.00 0.00 C ATOM 1168 OG SER A 78 14.007 25.270 -7.178 1.00 0.00 O ATOM 0 H SER A 78 16.096 24.138 -5.664 1.00 0.00 H new ATOM 0 HA SER A 78 14.462 26.286 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.430 23.737 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.556 25.241 -5.721 1.00 0.00 H new ATOM 0 HG SER A 78 14.671 24.639 -7.526 1.00 0.00 H new ATOM 1174 N LEU A 79 14.598 23.311 -3.194 1.00 0.00 N ATOM 1175 CA LEU A 79 14.068 22.460 -2.108 1.00 0.00 C ATOM 1176 C LEU A 79 14.825 22.629 -0.778 1.00 0.00 C ATOM 1177 O LEU A 79 14.209 22.566 0.286 1.00 0.00 O ATOM 1178 CB LEU A 79 14.018 20.988 -2.564 1.00 0.00 C ATOM 1179 CG LEU A 79 13.191 20.727 -3.841 1.00 0.00 C ATOM 1180 CD1 LEU A 79 13.104 19.225 -4.100 1.00 0.00 C ATOM 1181 CD2 LEU A 79 11.763 21.273 -3.781 1.00 0.00 C ATOM 0 H LEU A 79 15.416 22.926 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 79 13.052 22.795 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.037 20.641 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.606 20.386 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 79 13.713 21.253 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.519 19.045 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.107 18.820 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.623 18.737 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.248 21.049 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.230 20.807 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.792 22.352 -3.632 1.00 0.00 H new ATOM 1193 N GLY A 80 16.137 22.897 -0.829 1.00 0.00 N ATOM 1194 CA GLY A 80 16.991 23.299 0.301 1.00 0.00 C ATOM 1195 C GLY A 80 17.311 22.222 1.353 1.00 0.00 C ATOM 1196 O GLY A 80 18.483 22.019 1.674 1.00 0.00 O ATOM 0 H GLY A 80 16.659 22.837 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.934 23.670 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.510 24.136 0.808 1.00 0.00 H new ATOM 1200 N PHE A 81 16.298 21.537 1.897 1.00 0.00 N ATOM 1201 CA PHE A 81 16.429 20.583 3.009 1.00 0.00 C ATOM 1202 C PHE A 81 15.235 19.611 3.085 1.00 0.00 C ATOM 1203 O PHE A 81 14.085 20.017 2.895 1.00 0.00 O ATOM 1204 CB PHE A 81 16.536 21.385 4.320 1.00 0.00 C ATOM 1205 CG PHE A 81 16.807 20.548 5.557 1.00 0.00 C ATOM 1206 CD1 PHE A 81 18.117 20.118 5.843 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.759 20.220 6.439 1.00 0.00 C ATOM 1208 CE1 PHE A 81 18.378 19.369 7.004 1.00 0.00 C ATOM 1209 CE2 PHE A 81 16.021 19.470 7.599 1.00 0.00 C ATOM 1210 CZ PHE A 81 17.330 19.041 7.879 1.00 0.00 C ATOM 0 H PHE A 81 15.337 21.632 1.568 1.00 0.00 H new ATOM 0 HA PHE A 81 17.321 19.978 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.333 22.122 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.608 21.938 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.924 20.364 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.752 20.545 6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 81 19.385 19.046 7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.216 19.223 8.275 1.00 0.00 H new ATOM 0 HZ PHE A 81 17.530 18.459 8.767 1.00 0.00 H new ATOM 1220 N GLN A 82 15.499 18.337 3.399 1.00 0.00 N ATOM 1221 CA GLN A 82 14.496 17.280 3.592 1.00 0.00 C ATOM 1222 C GLN A 82 15.068 16.153 4.493 1.00 0.00 C ATOM 1223 O GLN A 82 15.885 15.362 4.020 1.00 0.00 O ATOM 1224 CB GLN A 82 14.066 16.734 2.214 1.00 0.00 C ATOM 1225 CG GLN A 82 12.761 15.918 2.273 1.00 0.00 C ATOM 1226 CD GLN A 82 11.540 16.736 2.716 1.00 0.00 C ATOM 1227 OE1 GLN A 82 11.270 17.828 2.236 1.00 0.00 O ATOM 1228 NE2 GLN A 82 10.751 16.252 3.652 1.00 0.00 N ATOM 0 H GLN A 82 16.453 18.000 3.531 1.00 0.00 H new ATOM 0 HA GLN A 82 13.620 17.689 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.937 17.567 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.862 16.107 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.564 15.493 1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.896 15.083 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.953 15.343 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.938 16.785 3.960 1.00 0.00 H new ATOM 1237 N PRO A 83 14.671 16.045 5.778 1.00 0.00 N ATOM 1238 CA PRO A 83 15.319 15.151 6.752 1.00 0.00 C ATOM 1239 C PRO A 83 14.877 13.674 6.715 1.00 0.00 C ATOM 1240 O PRO A 83 15.556 12.816 7.281 1.00 0.00 O ATOM 1241 CB PRO A 83 14.968 15.765 8.112 1.00 0.00 C ATOM 1242 CG PRO A 83 13.593 16.388 7.880 1.00 0.00 C ATOM 1243 CD PRO A 83 13.684 16.891 6.440 1.00 0.00 C ATOM 0 HA PRO A 83 16.384 15.095 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.939 15.010 8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.701 16.512 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.793 15.658 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.394 17.200 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.717 16.824 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.986 17.938 6.411 1.00 0.00 H new ATOM 1251 N ASN A 84 13.754 13.363 6.059 1.00 0.00 N ATOM 1252 CA ASN A 84 13.078 12.055 6.119 1.00 0.00 C ATOM 1253 C ASN A 84 12.843 11.364 4.757 1.00 0.00 C ATOM 1254 O ASN A 84 12.263 10.278 4.711 1.00 0.00 O ATOM 1255 CB ASN A 84 11.750 12.268 6.879 1.00 0.00 C ATOM 1256 CG ASN A 84 10.755 13.181 6.168 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.067 13.891 5.220 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.522 13.205 6.614 1.00 0.00 N ATOM 0 H ASN A 84 13.274 14.030 5.454 1.00 0.00 H new ATOM 0 HA ASN A 84 13.741 11.361 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.281 11.298 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.971 12.687 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.831 13.812 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.254 12.617 7.403 1.00 0.00 H new ATOM 1265 N LEU A 85 13.291 11.967 3.649 1.00 0.00 N ATOM 1266 CA LEU A 85 13.247 11.354 2.319 1.00 0.00 C ATOM 1267 C LEU A 85 14.243 10.190 2.250 1.00 0.00 C ATOM 1268 O LEU A 85 15.374 10.310 2.719 1.00 0.00 O ATOM 1269 CB LEU A 85 13.535 12.444 1.271 1.00 0.00 C ATOM 1270 CG LEU A 85 13.502 11.987 -0.199 1.00 0.00 C ATOM 1271 CD1 LEU A 85 12.174 11.330 -0.569 1.00 0.00 C ATOM 1272 CD2 LEU A 85 13.711 13.203 -1.103 1.00 0.00 C ATOM 0 H LEU A 85 13.698 12.902 3.652 1.00 0.00 H new ATOM 0 HA LEU A 85 12.262 10.936 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.807 13.245 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.517 12.869 1.477 1.00 0.00 H new ATOM 0 HG LEU A 85 14.294 11.251 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.198 11.024 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.013 10.455 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.362 12.041 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.689 12.889 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.917 13.929 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.676 13.659 -0.882 1.00 0.00 H new ATOM 1284 N ARG A 86 13.838 9.073 1.643 1.00 0.00 N ATOM 1285 CA ARG A 86 14.598 7.819 1.565 1.00 0.00 C ATOM 1286 C ARG A 86 14.680 7.329 0.133 1.00 0.00 C ATOM 1287 O ARG A 86 13.742 7.499 -0.646 1.00 0.00 O ATOM 1288 CB ARG A 86 13.943 6.786 2.482 1.00 0.00 C ATOM 1289 CG ARG A 86 14.310 7.029 3.954 1.00 0.00 C ATOM 1290 CD ARG A 86 13.300 6.378 4.906 1.00 0.00 C ATOM 1291 NE ARG A 86 11.947 6.957 4.732 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.868 6.691 5.444 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.889 5.847 6.436 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.733 7.267 5.163 1.00 0.00 N ATOM 0 H ARG A 86 12.935 9.012 1.172 1.00 0.00 H new ATOM 0 HA ARG A 86 15.622 7.985 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.860 6.827 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.258 5.785 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.305 6.630 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.352 8.101 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.265 5.304 4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.627 6.516 5.937 1.00 0.00 H new ATOM 0 HE ARG A 86 11.838 7.636 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.757 5.370 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.038 5.663 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.675 7.928 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.903 7.057 5.718 1.00 0.00 H new ATOM 1308 N TYR A 87 15.829 6.747 -0.209 1.00 0.00 N ATOM 1309 CA TYR A 87 16.154 6.442 -1.602 1.00 0.00 C ATOM 1310 C TYR A 87 17.243 5.386 -1.819 1.00 0.00 C ATOM 1311 O TYR A 87 17.669 4.703 -0.889 1.00 0.00 O ATOM 1312 CB TYR A 87 16.500 7.777 -2.294 1.00 0.00 C ATOM 1313 CG TYR A 87 17.848 8.360 -1.949 1.00 0.00 C ATOM 1314 CD1 TYR A 87 18.058 8.997 -0.711 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.884 8.277 -2.891 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.322 9.526 -0.396 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.142 8.824 -2.580 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.369 9.439 -1.334 1.00 0.00 C ATOM 1319 OH TYR A 87 21.600 9.925 -1.031 1.00 0.00 O ATOM 0 H TYR A 87 16.551 6.477 0.460 1.00 0.00 H new ATOM 0 HA TYR A 87 15.278 5.969 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.454 7.629 -3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.732 8.507 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.247 9.079 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.718 7.798 -3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.489 9.997 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.942 8.772 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 87 22.255 9.578 -1.672 1.00 0.00 H new ATOM 1329 N GLY A 88 17.674 5.250 -3.071 1.00 0.00 N ATOM 1330 CA GLY A 88 18.765 4.400 -3.548 1.00 0.00 C ATOM 1331 C GLY A 88 19.314 4.948 -4.871 1.00 0.00 C ATOM 1332 O GLY A 88 18.659 5.771 -5.516 1.00 0.00 O ATOM 0 H GLY A 88 17.239 5.768 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.560 4.361 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.408 3.379 -3.687 1.00 0.00 H new ATOM 1336 N VAL A 89 20.520 4.529 -5.274 1.00 0.00 N ATOM 1337 CA VAL A 89 21.208 5.079 -6.458 1.00 0.00 C ATOM 1338 C VAL A 89 21.914 4.000 -7.267 1.00 0.00 C ATOM 1339 O VAL A 89 22.644 3.163 -6.741 1.00 0.00 O ATOM 1340 CB VAL A 89 22.258 6.150 -6.082 1.00 0.00 C ATOM 1341 CG1 VAL A 89 22.895 6.820 -7.312 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.647 7.260 -5.229 1.00 0.00 C ATOM 0 H VAL A 89 21.049 3.801 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 89 20.419 5.533 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 89 23.023 5.610 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.623 7.562 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.394 6.065 -7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.120 7.308 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.414 7.995 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.844 7.745 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.246 6.833 -4.310 1.00 0.00 H new ATOM 1352 N ILE A 90 21.759 4.112 -8.580 1.00 0.00 N ATOM 1353 CA ILE A 90 22.487 3.361 -9.591 1.00 0.00 C ATOM 1354 C ILE A 90 23.151 4.411 -10.483 1.00 0.00 C ATOM 1355 O ILE A 90 22.486 5.302 -11.024 1.00 0.00 O ATOM 1356 CB ILE A 90 21.528 2.448 -10.377 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.805 1.472 -9.419 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.318 1.725 -11.484 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.900 0.467 -10.130 1.00 0.00 C ATOM 0 H ILE A 90 21.088 4.763 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 90 23.236 2.698 -9.158 1.00 0.00 H new ATOM 0 HB ILE A 90 20.748 3.040 -10.856 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.550 0.928 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.208 2.047 -8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.646 1.076 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.758 2.461 -12.157 1.00 0.00 H new ATOM 0 HG23 ILE A 90 23.109 1.126 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.428 -0.183 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 90 19.131 1.001 -10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.494 -0.135 -10.817 1.00 0.00 H new ATOM 1371 N ALA A 91 24.465 4.311 -10.637 1.00 0.00 N ATOM 1372 CA ALA A 91 25.265 5.172 -11.487 1.00 0.00 C ATOM 1373 C ALA A 91 25.976 4.326 -12.554 1.00 0.00 C ATOM 1374 O ALA A 91 26.292 3.155 -12.333 1.00 0.00 O ATOM 1375 CB ALA A 91 26.227 5.981 -10.612 1.00 0.00 C ATOM 0 H ALA A 91 25.019 3.603 -10.155 1.00 0.00 H new ATOM 0 HA ALA A 91 24.640 5.886 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.833 6.632 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.656 6.587 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.877 5.301 -10.062 1.00 0.00 H new ATOM 1381 N LEU A 92 26.201 4.916 -13.726 1.00 0.00 N ATOM 1382 CA LEU A 92 26.669 4.204 -14.913 1.00 0.00 C ATOM 1383 C LEU A 92 27.667 5.040 -15.717 1.00 0.00 C ATOM 1384 O LEU A 92 27.545 6.259 -15.825 1.00 0.00 O ATOM 1385 CB LEU A 92 25.405 3.796 -15.709 1.00 0.00 C ATOM 1386 CG LEU A 92 25.637 3.070 -17.052 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.482 2.115 -17.347 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.685 4.051 -18.227 1.00 0.00 C ATOM 0 H LEU A 92 26.062 5.915 -13.880 1.00 0.00 H new ATOM 0 HA LEU A 92 27.232 3.309 -14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.796 3.152 -15.074 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.821 4.695 -15.904 1.00 0.00 H new ATOM 0 HG LEU A 92 26.586 2.543 -16.954 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.660 1.611 -18.297 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.410 1.374 -16.551 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.550 2.678 -17.404 1.00 0.00 H new ATOM 0 HD21 LEU A 92 25.850 3.501 -19.154 1.00 0.00 H new ATOM 0 HD22 LEU A 92 24.740 4.591 -18.289 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.499 4.760 -18.076 1.00 0.00 H new ATOM 1400 N GLY A 93 28.629 4.368 -16.335 1.00 0.00 N ATOM 1401 CA GLY A 93 29.518 4.985 -17.305 1.00 0.00 C ATOM 1402 C GLY A 93 30.616 4.030 -17.763 1.00 0.00 C ATOM 1403 O GLY A 93 30.349 2.854 -18.009 1.00 0.00 O ATOM 0 H GLY A 93 28.814 3.378 -16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 28.940 5.314 -18.169 1.00 0.00 H new ATOM 0 HA3 GLY A 93 29.971 5.875 -16.867 1.00 0.00 H new ATOM 1407 N ASP A 94 31.845 4.525 -17.873 1.00 0.00 N ATOM 1408 CA ASP A 94 33.011 3.727 -18.250 1.00 0.00 C ATOM 1409 C ASP A 94 34.261 4.105 -17.432 1.00 0.00 C ATOM 1410 O ASP A 94 34.592 5.284 -17.272 1.00 0.00 O ATOM 1411 CB ASP A 94 33.252 3.867 -19.757 1.00 0.00 C ATOM 1412 CG ASP A 94 34.247 2.810 -20.250 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.447 2.924 -19.920 1.00 0.00 O ATOM 1414 OD2 ASP A 94 33.843 1.865 -20.967 1.00 0.00 O1- ATOM 0 H ASP A 94 32.064 5.506 -17.701 1.00 0.00 H new ATOM 0 HA ASP A 94 32.808 2.681 -18.019 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.308 3.762 -20.292 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.634 4.864 -19.978 1.00 0.00 H new ATOM 1419 N SER A 95 34.953 3.096 -16.898 1.00 0.00 N ATOM 1420 CA SER A 95 36.153 3.223 -16.050 1.00 0.00 C ATOM 1421 C SER A 95 37.383 3.838 -16.753 1.00 0.00 C ATOM 1422 O SER A 95 38.352 4.223 -16.094 1.00 0.00 O ATOM 1423 CB SER A 95 36.480 1.837 -15.482 1.00 0.00 C ATOM 1424 OG SER A 95 37.431 1.897 -14.435 1.00 0.00 O ATOM 0 H SER A 95 34.685 2.123 -17.048 1.00 0.00 H new ATOM 0 HA SER A 95 35.918 3.934 -15.258 1.00 0.00 H new ATOM 0 HB2 SER A 95 35.565 1.373 -15.113 1.00 0.00 H new ATOM 0 HB3 SER A 95 36.861 1.200 -16.280 1.00 0.00 H new ATOM 0 HG SER A 95 37.965 2.714 -14.524 1.00 0.00 H new ATOM 1430 N SER A 96 37.351 3.995 -18.081 1.00 0.00 N ATOM 1431 CA SER A 96 38.439 4.570 -18.907 1.00 0.00 C ATOM 1432 C SER A 96 38.680 6.084 -18.716 1.00 0.00 C ATOM 1433 O SER A 96 39.485 6.673 -19.442 1.00 0.00 O ATOM 1434 CB SER A 96 38.186 4.309 -20.400 1.00 0.00 C ATOM 1435 OG SER A 96 37.904 2.945 -20.647 1.00 0.00 O ATOM 0 H SER A 96 36.542 3.718 -18.637 1.00 0.00 H new ATOM 0 HA SER A 96 39.336 4.060 -18.556 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.352 4.922 -20.741 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.060 4.611 -20.977 1.00 0.00 H new ATOM 0 HG SER A 96 37.068 2.698 -20.200 1.00 0.00 H new ATOM 1441 N TYR A 97 37.991 6.730 -17.769 1.00 0.00 N ATOM 1442 CA TYR A 97 37.967 8.182 -17.570 1.00 0.00 C ATOM 1443 C TYR A 97 38.198 8.586 -16.110 1.00 0.00 C ATOM 1444 O TYR A 97 37.883 7.855 -15.167 1.00 0.00 O ATOM 1445 CB TYR A 97 36.610 8.725 -18.043 1.00 0.00 C ATOM 1446 CG TYR A 97 36.287 8.549 -19.517 1.00 0.00 C ATOM 1447 CD1 TYR A 97 36.674 9.536 -20.442 1.00 0.00 C ATOM 1448 CD2 TYR A 97 35.552 7.428 -19.956 1.00 0.00 C ATOM 1449 CE1 TYR A 97 36.321 9.411 -21.800 1.00 0.00 C ATOM 1450 CE2 TYR A 97 35.204 7.293 -21.315 1.00 0.00 C ATOM 1451 CZ TYR A 97 35.585 8.289 -22.239 1.00 0.00 C ATOM 1452 OH TYR A 97 35.249 8.174 -23.551 1.00 0.00 O ATOM 0 H TYR A 97 37.411 6.234 -17.092 1.00 0.00 H new ATOM 0 HA TYR A 97 38.785 8.608 -18.151 1.00 0.00 H new ATOM 0 HB2 TYR A 97 35.826 8.239 -17.461 1.00 0.00 H new ATOM 0 HB3 TYR A 97 36.568 9.789 -17.809 1.00 0.00 H new ATOM 0 HD1 TYR A 97 37.243 10.392 -20.110 1.00 0.00 H new ATOM 0 HD2 TYR A 97 35.254 6.669 -19.247 1.00 0.00 H new ATOM 0 HE1 TYR A 97 36.614 10.174 -22.506 1.00 0.00 H new ATOM 0 HE2 TYR A 97 34.647 6.430 -21.648 1.00 0.00 H new ATOM 0 HH TYR A 97 34.745 7.345 -23.688 1.00 0.00 H new ATOM 1462 N VAL A 98 38.703 9.812 -15.941 1.00 0.00 N ATOM 1463 CA VAL A 98 39.112 10.407 -14.654 1.00 0.00 C ATOM 1464 C VAL A 98 37.949 10.758 -13.704 1.00 0.00 C ATOM 1465 O VAL A 98 38.179 11.116 -12.549 1.00 0.00 O ATOM 1466 CB VAL A 98 39.999 11.642 -14.905 1.00 0.00 C ATOM 1467 CG1 VAL A 98 41.265 11.281 -15.692 1.00 0.00 C ATOM 1468 CG2 VAL A 98 39.274 12.789 -15.621 1.00 0.00 C ATOM 0 H VAL A 98 38.846 10.447 -16.726 1.00 0.00 H new ATOM 0 HA VAL A 98 39.676 9.632 -14.135 1.00 0.00 H new ATOM 0 HB VAL A 98 40.270 11.994 -13.910 1.00 0.00 H new ATOM 0 HG11 VAL A 98 41.864 12.178 -15.849 1.00 0.00 H new ATOM 0 HG12 VAL A 98 41.846 10.550 -15.130 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.985 10.858 -16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 98 39.962 13.622 -15.762 1.00 0.00 H new ATOM 0 HG22 VAL A 98 38.917 12.444 -16.592 1.00 0.00 H new ATOM 0 HG23 VAL A 98 38.427 13.116 -15.018 1.00 0.00 H new ATOM 1478 N ASN A 99 36.702 10.631 -14.169 1.00 0.00 N ATOM 1479 CA ASN A 99 35.460 10.942 -13.449 1.00 0.00 C ATOM 1480 C ASN A 99 34.507 9.734 -13.449 1.00 0.00 C ATOM 1481 O ASN A 99 33.322 9.867 -13.756 1.00 0.00 O ATOM 1482 CB ASN A 99 34.836 12.215 -14.074 1.00 0.00 C ATOM 1483 CG ASN A 99 35.352 13.501 -13.444 1.00 0.00 C ATOM 1484 OD1 ASN A 99 35.391 13.654 -12.230 1.00 0.00 O ATOM 1485 ND2 ASN A 99 35.766 14.468 -14.237 1.00 0.00 N ATOM 0 H ASN A 99 36.521 10.289 -15.113 1.00 0.00 H new ATOM 0 HA ASN A 99 35.668 11.148 -12.399 1.00 0.00 H new ATOM 0 HB2 ASN A 99 35.049 12.230 -15.143 1.00 0.00 H new ATOM 0 HB3 ASN A 99 33.752 12.173 -13.965 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.117 15.339 -13.839 1.00 0.00 H new ATOM 0 HD22 ASN A 99 35.736 14.346 -15.249 1.00 0.00 H new ATOM 1492 N PHE A 100 34.999 8.518 -13.183 1.00 0.00 N ATOM 1493 CA PHE A 100 34.162 7.308 -13.167 1.00 0.00 C ATOM 1494 C PHE A 100 32.891 7.492 -12.318 1.00 0.00 C ATOM 1495 O PHE A 100 32.952 7.715 -11.107 1.00 0.00 O ATOM 1496 CB PHE A 100 34.963 6.074 -12.735 1.00 0.00 C ATOM 1497 CG PHE A 100 34.125 4.805 -12.785 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.509 4.420 -13.992 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.906 4.042 -11.622 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.689 3.281 -14.045 1.00 0.00 C ATOM 1501 CE2 PHE A 100 33.074 2.908 -11.669 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.458 2.534 -12.875 1.00 0.00 C ATOM 0 H PHE A 100 35.982 8.343 -12.974 1.00 0.00 H new ATOM 0 HA PHE A 100 33.831 7.137 -14.191 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.832 5.961 -13.383 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.338 6.221 -11.722 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.669 5.006 -14.885 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.377 4.327 -10.693 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.238 2.980 -14.979 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.909 2.324 -10.776 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.807 1.673 -12.904 1.00 0.00 H new ATOM 1512 N CYS A 101 31.735 7.438 -12.984 1.00 0.00 N ATOM 1513 CA CYS A 101 30.395 7.722 -12.463 1.00 0.00 C ATOM 1514 C CYS A 101 30.173 9.079 -11.756 1.00 0.00 C ATOM 1515 O CYS A 101 29.225 9.217 -10.983 1.00 0.00 O ATOM 1516 CB CYS A 101 29.923 6.516 -11.628 1.00 0.00 C ATOM 1517 SG CYS A 101 29.756 5.035 -12.671 1.00 0.00 S ATOM 0 H CYS A 101 31.708 7.177 -13.970 1.00 0.00 H new ATOM 0 HA CYS A 101 29.762 7.857 -13.340 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.635 6.323 -10.825 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.967 6.745 -11.158 1.00 0.00 H new ATOM 0 HG CYS A 101 30.897 4.414 -12.729 1.00 0.00 H new ATOM 1523 N ASN A 102 30.982 10.106 -12.030 1.00 0.00 N ATOM 1524 CA ASN A 102 30.866 11.433 -11.398 1.00 0.00 C ATOM 1525 C ASN A 102 29.502 12.120 -11.598 1.00 0.00 C ATOM 1526 O ASN A 102 29.075 12.917 -10.764 1.00 0.00 O ATOM 1527 CB ASN A 102 31.997 12.321 -11.931 1.00 0.00 C ATOM 1528 CG ASN A 102 32.063 13.689 -11.259 1.00 0.00 C ATOM 1529 OD1 ASN A 102 32.039 13.819 -10.044 1.00 0.00 O ATOM 1530 ND2 ASN A 102 32.140 14.749 -12.030 1.00 0.00 N ATOM 0 H ASN A 102 31.746 10.044 -12.703 1.00 0.00 H new ATOM 0 HA ASN A 102 30.948 11.284 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 102 32.949 11.809 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.866 12.458 -13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 102 32.180 15.680 -11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 102 32.160 14.642 -13.044 1.00 0.00 H new ATOM 1537 N GLY A 103 28.782 11.819 -12.683 1.00 0.00 N ATOM 1538 CA GLY A 103 27.443 12.366 -12.926 1.00 0.00 C ATOM 1539 C GLY A 103 26.409 11.803 -11.946 1.00 0.00 C ATOM 1540 O GLY A 103 25.671 12.553 -11.313 1.00 0.00 O ATOM 0 H GLY A 103 29.110 11.191 -13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.473 13.452 -12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.137 12.138 -13.947 1.00 0.00 H new ATOM 1544 N GLY A 104 26.431 10.486 -11.713 1.00 0.00 N ATOM 1545 CA GLY A 104 25.582 9.837 -10.701 1.00 0.00 C ATOM 1546 C GLY A 104 25.997 10.170 -9.264 1.00 0.00 C ATOM 1547 O GLY A 104 25.143 10.459 -8.428 1.00 0.00 O ATOM 0 H GLY A 104 27.036 9.839 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.547 10.143 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.620 8.757 -10.843 1.00 0.00 H new ATOM 1551 N LYS A 105 27.309 10.230 -8.989 1.00 0.00 N ATOM 1552 CA LYS A 105 27.856 10.638 -7.674 1.00 0.00 C ATOM 1553 C LYS A 105 27.432 12.053 -7.266 1.00 0.00 C ATOM 1554 O LYS A 105 27.028 12.258 -6.124 1.00 0.00 O ATOM 1555 CB LYS A 105 29.387 10.512 -7.684 1.00 0.00 C ATOM 1556 CG LYS A 105 29.838 9.047 -7.637 1.00 0.00 C ATOM 1557 CD LYS A 105 31.336 8.924 -7.961 1.00 0.00 C ATOM 1558 CE LYS A 105 31.807 7.471 -7.817 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.223 7.313 -8.251 1.00 0.00 N1+ ATOM 0 H LYS A 105 28.029 9.997 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 105 27.438 9.964 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.785 10.986 -8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.801 11.048 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.640 8.633 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.258 8.461 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.523 9.273 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.911 9.565 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.706 7.155 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 105 31.168 6.819 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.559 6.361 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.287 7.443 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.814 8.024 -7.775 1.00 0.00 H new ATOM 1573 N GLN A 106 27.442 13.011 -8.202 1.00 0.00 N ATOM 1574 CA GLN A 106 26.879 14.349 -7.969 1.00 0.00 C ATOM 1575 C GLN A 106 25.382 14.296 -7.627 1.00 0.00 C ATOM 1576 O GLN A 106 24.945 14.988 -6.708 1.00 0.00 O ATOM 1577 CB GLN A 106 27.118 15.258 -9.182 1.00 0.00 C ATOM 1578 CG GLN A 106 28.561 15.779 -9.234 1.00 0.00 C ATOM 1579 CD GLN A 106 28.778 16.627 -10.485 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.716 17.849 -10.458 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.015 16.007 -11.621 1.00 0.00 N ATOM 0 H GLN A 106 27.836 12.883 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 106 27.397 14.768 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.898 14.707 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.429 16.102 -9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.772 16.372 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.257 14.940 -9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 106 29.067 14.989 -11.645 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.147 16.545 -12.478 1.00 0.00 H new ATOM 1590 N PHE A 107 24.593 13.456 -8.306 1.00 0.00 N ATOM 1591 CA PHE A 107 23.172 13.308 -7.976 1.00 0.00 C ATOM 1592 C PHE A 107 22.918 12.608 -6.618 1.00 0.00 C ATOM 1593 O PHE A 107 21.927 12.907 -5.958 1.00 0.00 O ATOM 1594 CB PHE A 107 22.405 12.671 -9.141 1.00 0.00 C ATOM 1595 CG PHE A 107 20.962 13.143 -9.184 1.00 0.00 C ATOM 1596 CD1 PHE A 107 20.002 12.555 -8.343 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.601 14.246 -9.984 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.689 13.051 -8.303 1.00 0.00 C ATOM 1599 CE2 PHE A 107 19.289 14.754 -9.936 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.333 14.150 -9.099 1.00 0.00 C ATOM 0 H PHE A 107 24.911 12.873 -9.080 1.00 0.00 H new ATOM 0 HA PHE A 107 22.773 14.312 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.898 12.919 -10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.431 11.586 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.276 11.715 -7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.332 14.702 -10.635 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.955 12.587 -7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 107 19.017 15.606 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.324 14.533 -9.069 1.00 0.00 H new ATOM 1610 N ASP A 108 23.799 11.722 -6.133 1.00 0.00 N ATOM 1611 CA ASP A 108 23.706 11.219 -4.749 1.00 0.00 C ATOM 1612 C ASP A 108 24.054 12.331 -3.737 1.00 0.00 C ATOM 1613 O ASP A 108 23.308 12.578 -2.782 1.00 0.00 O ATOM 1614 CB ASP A 108 24.626 10.009 -4.550 1.00 0.00 C ATOM 1615 CG ASP A 108 24.516 9.464 -3.119 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.425 9.002 -2.710 1.00 0.00 O ATOM 1617 OD2 ASP A 108 25.521 9.477 -2.375 1.00 0.00 O1- ATOM 0 H ASP A 108 24.578 11.340 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 108 22.678 10.904 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.363 9.227 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.658 10.294 -4.756 1.00 0.00 H new ATOM 1622 N ALA A 109 25.144 13.068 -3.988 1.00 0.00 N ATOM 1623 CA ALA A 109 25.541 14.232 -3.189 1.00 0.00 C ATOM 1624 C ALA A 109 24.446 15.320 -3.100 1.00 0.00 C ATOM 1625 O ALA A 109 24.258 15.893 -2.026 1.00 0.00 O ATOM 1626 CB ALA A 109 26.858 14.790 -3.742 1.00 0.00 C ATOM 0 H ALA A 109 25.781 12.870 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 109 25.687 13.900 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.161 15.656 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.631 14.023 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.719 15.088 -4.781 1.00 0.00 H new ATOM 1632 N LEU A 110 23.665 15.547 -4.168 1.00 0.00 N ATOM 1633 CA LEU A 110 22.497 16.447 -4.213 1.00 0.00 C ATOM 1634 C LEU A 110 21.509 16.214 -3.055 1.00 0.00 C ATOM 1635 O LEU A 110 20.849 17.151 -2.603 1.00 0.00 O ATOM 1636 CB LEU A 110 21.767 16.216 -5.551 1.00 0.00 C ATOM 1637 CG LEU A 110 20.559 17.119 -5.866 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.990 18.545 -6.167 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.813 16.538 -7.068 1.00 0.00 C ATOM 0 H LEU A 110 23.836 15.089 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 110 22.860 17.470 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.493 16.333 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.428 15.180 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 110 19.909 17.150 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.111 19.152 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.512 18.957 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.657 18.549 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.955 17.168 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.482 16.501 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.470 15.531 -6.831 1.00 0.00 H new ATOM 1651 N LEU A 111 21.415 14.968 -2.579 1.00 0.00 N ATOM 1652 CA LEU A 111 20.413 14.523 -1.610 1.00 0.00 C ATOM 1653 C LEU A 111 21.009 14.411 -0.199 1.00 0.00 C ATOM 1654 O LEU A 111 20.370 14.814 0.776 1.00 0.00 O ATOM 1655 CB LEU A 111 19.822 13.192 -2.117 1.00 0.00 C ATOM 1656 CG LEU A 111 19.283 13.239 -3.564 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.775 11.860 -3.976 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.163 14.265 -3.738 1.00 0.00 C ATOM 0 H LEU A 111 22.051 14.224 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 111 19.612 15.257 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.590 12.421 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.013 12.892 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 111 20.112 13.543 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.397 11.902 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.591 11.140 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.973 11.552 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.820 14.257 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.333 14.012 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.537 15.258 -3.487 1.00 0.00 H new ATOM 1670 N GLN A 112 22.266 13.971 -0.078 1.00 0.00 N ATOM 1671 CA GLN A 112 23.013 14.023 1.189 1.00 0.00 C ATOM 1672 C GLN A 112 23.307 15.459 1.649 1.00 0.00 C ATOM 1673 O GLN A 112 23.286 15.734 2.848 1.00 0.00 O ATOM 1674 CB GLN A 112 24.316 13.211 1.072 1.00 0.00 C ATOM 1675 CG GLN A 112 24.046 11.706 0.927 1.00 0.00 C ATOM 1676 CD GLN A 112 23.195 11.173 2.074 1.00 0.00 C ATOM 1677 OE1 GLN A 112 23.552 11.230 3.241 1.00 0.00 O ATOM 1678 NE2 GLN A 112 21.998 10.725 1.780 1.00 0.00 N ATOM 0 H GLN A 112 22.795 13.569 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 112 22.377 13.577 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.885 13.562 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 112 24.932 13.385 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 112 23.540 11.517 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 112 24.993 11.168 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.697 10.676 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 112 21.368 10.426 2.525 1.00 0.00 H new ATOM 1687 N GLU A 113 23.479 16.398 0.713 1.00 0.00 N ATOM 1688 CA GLU A 113 23.569 17.841 0.990 1.00 0.00 C ATOM 1689 C GLU A 113 22.253 18.431 1.546 1.00 0.00 C ATOM 1690 O GLU A 113 22.266 19.510 2.143 1.00 0.00 O ATOM 1691 CB GLU A 113 24.020 18.557 -0.298 1.00 0.00 C ATOM 1692 CG GLU A 113 24.340 20.047 -0.116 1.00 0.00 C ATOM 1693 CD GLU A 113 25.059 20.615 -1.352 1.00 0.00 C ATOM 1694 OE1 GLU A 113 24.377 21.024 -2.322 1.00 0.00 O1- ATOM 1695 OE2 GLU A 113 26.314 20.672 -1.356 1.00 0.00 O ATOM 0 H GLU A 113 23.562 16.175 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 113 24.305 18.000 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 113 24.904 18.053 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.237 18.455 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 113 23.418 20.601 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 113 24.965 20.183 0.766 1.00 0.00 H new ATOM 1702 N GLN A 114 21.125 17.712 1.413 1.00 0.00 N ATOM 1703 CA GLN A 114 19.800 18.167 1.866 1.00 0.00 C ATOM 1704 C GLN A 114 19.230 17.339 3.031 1.00 0.00 C ATOM 1705 O GLN A 114 18.234 17.755 3.619 1.00 0.00 O ATOM 1706 CB GLN A 114 18.833 18.252 0.673 1.00 0.00 C ATOM 1707 CG GLN A 114 19.315 19.297 -0.349 1.00 0.00 C ATOM 1708 CD GLN A 114 18.275 19.663 -1.406 1.00 0.00 C ATOM 1709 OE1 GLN A 114 17.274 18.995 -1.627 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.463 20.776 -2.080 1.00 0.00 N ATOM 0 H GLN A 114 21.108 16.787 0.983 1.00 0.00 H new ATOM 0 HA GLN A 114 19.925 19.168 2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.754 17.277 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.836 18.515 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.609 20.201 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.206 18.917 -0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.293 21.343 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 114 17.779 21.072 -2.776 1.00 0.00 H new ATOM 1719 N SER A 115 19.858 16.207 3.382 1.00 0.00 N ATOM 1720 CA SER A 115 19.632 15.368 4.580 1.00 0.00 C ATOM 1721 C SER A 115 18.743 14.138 4.322 1.00 0.00 C ATOM 1722 O SER A 115 18.273 13.509 5.277 1.00 0.00 O ATOM 1723 CB SER A 115 19.153 16.171 5.804 1.00 0.00 C ATOM 1724 OG SER A 115 19.325 15.417 6.993 1.00 0.00 O ATOM 0 H SER A 115 20.595 15.820 2.793 1.00 0.00 H new ATOM 0 HA SER A 115 20.620 14.979 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 115 19.711 17.104 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 115 18.103 16.436 5.684 1.00 0.00 H new ATOM 0 HG SER A 115 18.970 14.513 6.861 1.00 0.00 H new ATOM 1730 N ALA A 116 18.529 13.766 3.053 1.00 0.00 N ATOM 1731 CA ALA A 116 17.888 12.496 2.715 1.00 0.00 C ATOM 1732 C ALA A 116 18.718 11.305 3.249 1.00 0.00 C ATOM 1733 O ALA A 116 19.916 11.436 3.511 1.00 0.00 O ATOM 1734 CB ALA A 116 17.704 12.431 1.194 1.00 0.00 C ATOM 0 H ALA A 116 18.792 14.330 2.245 1.00 0.00 H new ATOM 0 HA ALA A 116 16.909 12.432 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.227 11.489 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.078 13.261 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 116 18.677 12.497 0.707 1.00 0.00 H new ATOM 1740 N GLN A 117 18.116 10.120 3.373 1.00 0.00 N ATOM 1741 CA GLN A 117 18.715 8.955 4.024 1.00 0.00 C ATOM 1742 C GLN A 117 18.610 7.720 3.121 1.00 0.00 C ATOM 1743 O GLN A 117 17.550 7.112 2.992 1.00 0.00 O ATOM 1744 CB GLN A 117 18.054 8.723 5.400 1.00 0.00 C ATOM 1745 CG GLN A 117 18.193 9.918 6.361 1.00 0.00 C ATOM 1746 CD GLN A 117 17.650 9.604 7.756 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.998 8.610 8.385 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.784 10.426 8.311 1.00 0.00 N ATOM 0 H GLN A 117 17.178 9.941 3.015 1.00 0.00 H new ATOM 0 HA GLN A 117 19.776 9.141 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.996 8.507 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.498 7.842 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 117 19.243 10.201 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.661 10.776 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 117 16.478 11.260 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 117 16.419 10.229 9.243 1.00 0.00 H new ATOM 1757 N ARG A 118 19.700 7.376 2.426 1.00 0.00 N ATOM 1758 CA ARG A 118 19.711 6.256 1.476 1.00 0.00 C ATOM 1759 C ARG A 118 19.534 4.917 2.208 1.00 0.00 C ATOM 1760 O ARG A 118 20.199 4.659 3.212 1.00 0.00 O ATOM 1761 CB ARG A 118 21.024 6.284 0.668 1.00 0.00 C ATOM 1762 CG ARG A 118 20.875 5.672 -0.735 1.00 0.00 C ATOM 1763 CD ARG A 118 22.185 5.486 -1.531 1.00 0.00 C ATOM 1764 NE ARG A 118 23.189 6.551 -1.312 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.218 6.524 -0.482 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.442 5.533 0.339 1.00 0.00 N ATOM 1767 NH2 ARG A 118 25.058 7.513 -0.464 1.00 0.00 N1+ ATOM 0 H ARG A 118 20.594 7.862 2.504 1.00 0.00 H new ATOM 0 HA ARG A 118 18.873 6.360 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.366 7.315 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.794 5.741 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.391 4.700 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.205 6.305 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.626 4.526 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.947 5.441 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 118 23.074 7.401 -1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.809 4.734 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.250 5.558 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.923 8.308 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 118 25.853 7.495 0.175 1.00 0.00 H new ATOM 1781 N VAL A 119 18.684 4.045 1.665 1.00 0.00 N ATOM 1782 CA VAL A 119 18.381 2.695 2.194 1.00 0.00 C ATOM 1783 C VAL A 119 19.284 1.623 1.547 1.00 0.00 C ATOM 1784 O VAL A 119 18.856 0.506 1.260 1.00 0.00 O ATOM 1785 CB VAL A 119 16.870 2.363 2.064 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.443 1.347 3.132 1.00 0.00 C ATOM 1787 CG2 VAL A 119 15.951 3.583 2.244 1.00 0.00 C ATOM 0 H VAL A 119 18.164 4.257 0.814 1.00 0.00 H new ATOM 0 HA VAL A 119 18.609 2.691 3.260 1.00 0.00 H new ATOM 0 HB VAL A 119 16.760 1.974 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.381 1.129 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.017 0.428 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.628 1.761 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.911 3.274 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 119 16.105 4.011 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.185 4.330 1.485 1.00 0.00 H new ATOM 1797 N GLY A 120 20.539 1.973 1.246 1.00 0.00 N ATOM 1798 CA GLY A 120 21.486 1.111 0.529 1.00 0.00 C ATOM 1799 C GLY A 120 22.763 1.831 0.088 1.00 0.00 C ATOM 1800 O GLY A 120 23.035 2.961 0.504 1.00 0.00 O ATOM 0 H GLY A 120 20.933 2.880 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.756 0.271 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.992 0.696 -0.349 1.00 0.00 H new ATOM 1804 N GLU A 121 23.528 1.188 -0.796 1.00 0.00 N ATOM 1805 CA GLU A 121 24.786 1.697 -1.366 1.00 0.00 C ATOM 1806 C GLU A 121 24.677 1.933 -2.883 1.00 0.00 C ATOM 1807 O GLU A 121 23.970 1.214 -3.594 1.00 0.00 O ATOM 1808 CB GLU A 121 25.956 0.747 -1.027 1.00 0.00 C ATOM 1809 CG GLU A 121 25.796 -0.686 -1.557 1.00 0.00 C ATOM 1810 CD GLU A 121 26.980 -1.564 -1.115 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.021 -1.590 -1.820 1.00 0.00 O ATOM 1812 OE2 GLU A 121 26.879 -2.242 -0.062 1.00 0.00 O1- ATOM 0 H GLU A 121 23.283 0.264 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 121 24.988 2.667 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 121 26.876 1.168 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.072 0.708 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.863 -1.113 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.733 -0.672 -2.645 1.00 0.00 H new ATOM 1819 N MET A 122 25.371 2.968 -3.371 1.00 0.00 N ATOM 1820 CA MET A 122 25.359 3.376 -4.778 1.00 0.00 C ATOM 1821 C MET A 122 26.046 2.335 -5.678 1.00 0.00 C ATOM 1822 O MET A 122 27.242 2.069 -5.532 1.00 0.00 O ATOM 1823 CB MET A 122 26.005 4.767 -4.888 1.00 0.00 C ATOM 1824 CG MET A 122 26.143 5.271 -6.328 1.00 0.00 C ATOM 1825 SD MET A 122 26.375 7.068 -6.502 1.00 0.00 S ATOM 1826 CE MET A 122 27.586 7.406 -5.192 1.00 0.00 C ATOM 0 H MET A 122 25.967 3.555 -2.787 1.00 0.00 H new ATOM 0 HA MET A 122 24.331 3.436 -5.135 1.00 0.00 H new ATOM 0 HB2 MET A 122 25.409 5.480 -4.319 1.00 0.00 H new ATOM 0 HB3 MET A 122 26.992 4.737 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.989 4.765 -6.793 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.252 4.980 -6.885 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.876 8.456 -5.227 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.143 7.184 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.467 6.781 -5.341 1.00 0.00 H new ATOM 1836 N LEU A 123 25.293 1.753 -6.616 1.00 0.00 N ATOM 1837 CA LEU A 123 25.803 0.776 -7.588 1.00 0.00 C ATOM 1838 C LEU A 123 26.570 1.504 -8.710 1.00 0.00 C ATOM 1839 O LEU A 123 26.084 2.521 -9.202 1.00 0.00 O ATOM 1840 CB LEU A 123 24.580 -0.019 -8.099 1.00 0.00 C ATOM 1841 CG LEU A 123 24.804 -1.362 -8.818 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.398 -1.205 -10.211 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.669 -2.333 -8.014 1.00 0.00 C ATOM 0 H LEU A 123 24.298 1.949 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 123 26.517 0.082 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.932 -0.209 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 123 24.028 0.629 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 123 23.803 -1.782 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.531 -2.188 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.725 -0.610 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.364 -0.705 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.790 -3.261 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.647 -1.886 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 123 25.187 -2.545 -7.060 1.00 0.00 H new ATOM 1855 N LEU A 124 27.742 1.000 -9.124 1.00 0.00 N ATOM 1856 CA LEU A 124 28.621 1.629 -10.131 1.00 0.00 C ATOM 1857 C LEU A 124 28.855 0.705 -11.343 1.00 0.00 C ATOM 1858 O LEU A 124 29.711 -0.182 -11.314 1.00 0.00 O ATOM 1859 CB LEU A 124 29.961 2.052 -9.484 1.00 0.00 C ATOM 1860 CG LEU A 124 29.895 2.969 -8.245 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.316 3.298 -7.785 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.183 4.288 -8.527 1.00 0.00 C ATOM 0 H LEU A 124 28.117 0.123 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 124 28.119 2.522 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.500 1.147 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.557 2.556 -10.244 1.00 0.00 H new ATOM 0 HG LEU A 124 29.334 2.430 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 124 31.274 3.946 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.838 2.376 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.850 3.807 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.166 4.893 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.712 4.826 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.161 4.088 -8.849 1.00 0.00 H new ATOM 1874 N ILE A 125 28.068 0.894 -12.405 1.00 0.00 N ATOM 1875 CA ILE A 125 28.132 0.121 -13.661 1.00 0.00 C ATOM 1876 C ILE A 125 29.253 0.645 -14.583 1.00 0.00 C ATOM 1877 O ILE A 125 29.351 1.847 -14.827 1.00 0.00 O ATOM 1878 CB ILE A 125 26.761 0.140 -14.387 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.636 -0.310 -13.427 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.801 -0.760 -15.638 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.227 -0.426 -14.018 1.00 0.00 C ATOM 0 H ILE A 125 27.343 1.611 -12.421 1.00 0.00 H new ATOM 0 HA ILE A 125 28.369 -0.912 -13.408 1.00 0.00 H new ATOM 0 HB ILE A 125 26.552 1.161 -14.706 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.911 -1.280 -13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.598 0.393 -12.595 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.831 -0.735 -16.135 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.569 -0.398 -16.322 1.00 0.00 H new ATOM 0 HG23 ILE A 125 27.031 -1.784 -15.343 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.533 -0.749 -13.243 1.00 0.00 H new ATOM 0 HD12 ILE A 125 23.913 0.544 -14.404 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.231 -1.155 -14.828 1.00 0.00 H new ATOM 1893 N ASP A 126 30.049 -0.266 -15.155 1.00 0.00 N ATOM 1894 CA ASP A 126 31.164 0.030 -16.068 1.00 0.00 C ATOM 1895 C ASP A 126 31.003 -0.704 -17.410 1.00 0.00 C ATOM 1896 O ASP A 126 31.116 -1.930 -17.479 1.00 0.00 O ATOM 1897 CB ASP A 126 32.494 -0.360 -15.402 1.00 0.00 C ATOM 1898 CG ASP A 126 33.699 -0.247 -16.354 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.656 0.575 -17.300 1.00 0.00 O ATOM 1900 OD2 ASP A 126 34.703 -0.964 -16.132 1.00 0.00 O1- ATOM 0 H ASP A 126 29.932 -1.266 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 126 31.161 1.100 -16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.661 0.280 -14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.423 -1.384 -15.034 1.00 0.00 H new ATOM 1905 N ALA A 127 30.768 0.046 -18.487 1.00 0.00 N ATOM 1906 CA ALA A 127 30.663 -0.478 -19.848 1.00 0.00 C ATOM 1907 C ALA A 127 31.918 -1.246 -20.334 1.00 0.00 C ATOM 1908 O ALA A 127 31.794 -2.120 -21.199 1.00 0.00 O ATOM 1909 CB ALA A 127 30.316 0.684 -20.786 1.00 0.00 C ATOM 0 H ALA A 127 30.643 1.057 -18.436 1.00 0.00 H new ATOM 0 HA ALA A 127 29.872 -1.227 -19.854 1.00 0.00 H new ATOM 0 HB1 ALA A 127 30.233 0.314 -21.808 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.367 1.126 -20.482 1.00 0.00 H new ATOM 0 HB3 ALA A 127 31.101 1.439 -20.736 1.00 0.00 H new ATOM 1915 N SER A 128 33.103 -0.988 -19.765 1.00 0.00 N ATOM 1916 CA SER A 128 34.342 -1.741 -20.039 1.00 0.00 C ATOM 1917 C SER A 128 34.472 -3.046 -19.228 1.00 0.00 C ATOM 1918 O SER A 128 35.460 -3.770 -19.378 1.00 0.00 O ATOM 1919 CB SER A 128 35.572 -0.848 -19.824 1.00 0.00 C ATOM 1920 OG SER A 128 35.731 0.043 -20.914 1.00 0.00 O ATOM 0 H SER A 128 33.234 -0.236 -19.088 1.00 0.00 H new ATOM 0 HA SER A 128 34.286 -2.043 -21.085 1.00 0.00 H new ATOM 0 HB2 SER A 128 35.463 -0.284 -18.898 1.00 0.00 H new ATOM 0 HB3 SER A 128 36.464 -1.466 -19.718 1.00 0.00 H new ATOM 0 HG SER A 128 34.874 0.477 -21.109 1.00 0.00 H new ATOM 1926 N GLU A 129 33.470 -3.390 -18.413 1.00 0.00 N ATOM 1927 CA GLU A 129 33.395 -4.639 -17.629 1.00 0.00 C ATOM 1928 C GLU A 129 32.079 -5.407 -17.860 1.00 0.00 C ATOM 1929 O GLU A 129 32.065 -6.639 -17.777 1.00 0.00 O ATOM 1930 CB GLU A 129 33.604 -4.304 -16.140 1.00 0.00 C ATOM 1931 CG GLU A 129 33.566 -5.535 -15.225 1.00 0.00 C ATOM 1932 CD GLU A 129 34.024 -5.180 -13.796 1.00 0.00 C ATOM 1933 OE1 GLU A 129 33.189 -4.719 -12.980 1.00 0.00 O ATOM 1934 OE2 GLU A 129 35.221 -5.384 -13.475 1.00 0.00 O1- ATOM 0 H GLU A 129 32.658 -2.789 -18.272 1.00 0.00 H new ATOM 0 HA GLU A 129 34.186 -5.308 -17.968 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.564 -3.801 -16.020 1.00 0.00 H new ATOM 0 HB3 GLU A 129 32.834 -3.601 -15.822 1.00 0.00 H new ATOM 0 HG2 GLU A 129 32.554 -5.939 -15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 129 34.209 -6.315 -15.633 1.00 0.00 H new ATOM 1941 N ASN A 130 30.993 -4.711 -18.215 1.00 0.00 N ATOM 1942 CA ASN A 130 29.668 -5.291 -18.425 1.00 0.00 C ATOM 1943 C ASN A 130 28.924 -4.631 -19.616 1.00 0.00 C ATOM 1944 O ASN A 130 28.571 -3.451 -19.525 1.00 0.00 O ATOM 1945 CB ASN A 130 28.876 -5.139 -17.112 1.00 0.00 C ATOM 1946 CG ASN A 130 27.446 -5.630 -17.257 1.00 0.00 C ATOM 1947 OD1 ASN A 130 27.130 -6.468 -18.086 1.00 0.00 O ATOM 1948 ND2 ASN A 130 26.522 -5.078 -16.510 1.00 0.00 N ATOM 0 H ASN A 130 31.015 -3.703 -18.367 1.00 0.00 H new ATOM 0 HA ASN A 130 29.767 -6.345 -18.686 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.374 -5.698 -16.320 1.00 0.00 H new ATOM 0 HB3 ASN A 130 28.872 -4.092 -16.809 1.00 0.00 H new ATOM 0 HD21 ASN A 130 25.545 -5.349 -16.623 1.00 0.00 H new ATOM 0 HD22 ASN A 130 26.779 -4.377 -15.815 1.00 0.00 H new ATOM 1955 N PRO A 131 28.631 -5.371 -20.710 1.00 0.00 N ATOM 1956 CA PRO A 131 27.842 -4.871 -21.845 1.00 0.00 C ATOM 1957 C PRO A 131 26.315 -4.855 -21.604 1.00 0.00 C ATOM 1958 O PRO A 131 25.573 -4.353 -22.449 1.00 0.00 O ATOM 1959 CB PRO A 131 28.209 -5.805 -23.002 1.00 0.00 C ATOM 1960 CG PRO A 131 28.453 -7.142 -22.310 1.00 0.00 C ATOM 1961 CD PRO A 131 29.084 -6.733 -20.981 1.00 0.00 C ATOM 0 HA PRO A 131 28.077 -3.824 -22.037 1.00 0.00 H new ATOM 0 HB2 PRO A 131 27.405 -5.872 -23.735 1.00 0.00 H new ATOM 0 HB3 PRO A 131 29.096 -5.459 -23.533 1.00 0.00 H new ATOM 0 HG2 PRO A 131 27.525 -7.695 -22.163 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.117 -7.782 -22.892 1.00 0.00 H new ATOM 0 HD2 PRO A 131 28.780 -7.409 -20.182 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.172 -6.776 -21.038 1.00 0.00 H new ATOM 1969 N GLU A 132 25.825 -5.379 -20.469 1.00 0.00 N ATOM 1970 CA GLU A 132 24.397 -5.542 -20.146 1.00 0.00 C ATOM 1971 C GLU A 132 24.077 -5.006 -18.733 1.00 0.00 C ATOM 1972 O GLU A 132 24.014 -5.790 -17.777 1.00 0.00 O ATOM 1973 CB GLU A 132 23.990 -7.024 -20.289 1.00 0.00 C ATOM 1974 CG GLU A 132 24.093 -7.593 -21.715 1.00 0.00 C ATOM 1975 CD GLU A 132 23.169 -6.906 -22.741 1.00 0.00 C ATOM 1976 OE1 GLU A 132 22.103 -6.363 -22.364 1.00 0.00 O ATOM 1977 OE2 GLU A 132 23.480 -6.957 -23.957 1.00 0.00 O1- ATOM 0 H GLU A 132 26.435 -5.713 -19.723 1.00 0.00 H new ATOM 0 HA GLU A 132 23.813 -4.953 -20.853 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.618 -7.623 -19.629 1.00 0.00 H new ATOM 0 HB3 GLU A 132 22.963 -7.138 -19.942 1.00 0.00 H new ATOM 0 HG2 GLU A 132 25.125 -7.504 -22.056 1.00 0.00 H new ATOM 0 HG3 GLU A 132 23.858 -8.657 -21.687 1.00 0.00 H new ATOM 1984 N PRO A 133 23.902 -3.675 -18.551 1.00 0.00 N ATOM 1985 CA PRO A 133 23.647 -3.010 -17.260 1.00 0.00 C ATOM 1986 C PRO A 133 22.627 -3.695 -16.338 1.00 0.00 C ATOM 1987 O PRO A 133 22.824 -3.769 -15.125 1.00 0.00 O ATOM 1988 CB PRO A 133 23.183 -1.597 -17.640 1.00 0.00 C ATOM 1989 CG PRO A 133 23.953 -1.308 -18.924 1.00 0.00 C ATOM 1990 CD PRO A 133 23.981 -2.672 -19.611 1.00 0.00 C ATOM 0 HA PRO A 133 24.557 -3.037 -16.660 1.00 0.00 H new ATOM 0 HB2 PRO A 133 22.105 -1.557 -17.800 1.00 0.00 H new ATOM 0 HB3 PRO A 133 23.417 -0.873 -16.859 1.00 0.00 H new ATOM 0 HG2 PRO A 133 23.454 -0.556 -19.536 1.00 0.00 H new ATOM 0 HG3 PRO A 133 24.957 -0.937 -18.719 1.00 0.00 H new ATOM 0 HD2 PRO A 133 23.146 -2.774 -20.304 1.00 0.00 H new ATOM 0 HD3 PRO A 133 24.895 -2.794 -20.193 1.00 0.00 H new ATOM 1998 N GLU A 134 21.564 -4.260 -16.917 1.00 0.00 N ATOM 1999 CA GLU A 134 20.543 -5.087 -16.253 1.00 0.00 C ATOM 2000 C GLU A 134 21.140 -6.152 -15.317 1.00 0.00 C ATOM 2001 O GLU A 134 20.704 -6.318 -14.177 1.00 0.00 O ATOM 2002 CB GLU A 134 19.744 -5.760 -17.380 1.00 0.00 C ATOM 2003 CG GLU A 134 18.529 -6.560 -16.908 1.00 0.00 C ATOM 2004 CD GLU A 134 17.857 -7.289 -18.086 1.00 0.00 C ATOM 2005 OE1 GLU A 134 17.238 -6.624 -18.952 1.00 0.00 O ATOM 2006 OE2 GLU A 134 17.955 -8.542 -18.159 1.00 0.00 O1- ATOM 0 H GLU A 134 21.379 -4.149 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 134 19.922 -4.458 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.409 -4.993 -18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 134 20.408 -6.425 -17.932 1.00 0.00 H new ATOM 0 HG2 GLU A 134 18.837 -7.285 -16.155 1.00 0.00 H new ATOM 0 HG3 GLU A 134 17.811 -5.892 -16.432 1.00 0.00 H new ATOM 2013 N THR A 135 22.189 -6.846 -15.771 1.00 0.00 N ATOM 2014 CA THR A 135 22.800 -7.993 -15.069 1.00 0.00 C ATOM 2015 C THR A 135 23.583 -7.621 -13.801 1.00 0.00 C ATOM 2016 O THR A 135 23.925 -8.498 -13.007 1.00 0.00 O ATOM 2017 CB THR A 135 23.700 -8.814 -16.007 1.00 0.00 C ATOM 2018 OG1 THR A 135 24.810 -8.072 -16.463 1.00 0.00 O ATOM 2019 CG2 THR A 135 22.927 -9.312 -17.229 1.00 0.00 C ATOM 0 H THR A 135 22.650 -6.626 -16.654 1.00 0.00 H new ATOM 0 HA THR A 135 21.952 -8.596 -14.746 1.00 0.00 H new ATOM 0 HB THR A 135 24.051 -9.661 -15.417 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.505 -7.209 -16.812 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.593 -9.889 -17.871 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.100 -9.943 -16.904 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.536 -8.460 -17.784 1.00 0.00 H new ATOM 2027 N GLU A 136 23.812 -6.325 -13.570 1.00 0.00 N ATOM 2028 CA GLU A 136 24.468 -5.783 -12.364 1.00 0.00 C ATOM 2029 C GLU A 136 23.531 -4.882 -11.541 1.00 0.00 C ATOM 2030 O GLU A 136 23.942 -4.325 -10.526 1.00 0.00 O ATOM 2031 CB GLU A 136 25.769 -5.056 -12.762 1.00 0.00 C ATOM 2032 CG GLU A 136 26.864 -6.003 -13.282 1.00 0.00 C ATOM 2033 CD GLU A 136 27.348 -7.037 -12.241 1.00 0.00 C ATOM 2034 OE1 GLU A 136 27.443 -6.712 -11.032 1.00 0.00 O ATOM 2035 OE2 GLU A 136 27.677 -8.184 -12.634 1.00 0.00 O1- ATOM 0 H GLU A 136 23.540 -5.599 -14.232 1.00 0.00 H new ATOM 0 HA GLU A 136 24.722 -6.617 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.543 -4.317 -13.531 1.00 0.00 H new ATOM 0 HB3 GLU A 136 26.150 -4.511 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 136 26.486 -6.533 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 136 27.716 -5.409 -13.612 1.00 0.00 H new ATOM 2042 N SER A 137 22.257 -4.767 -11.938 1.00 0.00 N ATOM 2043 CA SER A 137 21.298 -3.833 -11.335 1.00 0.00 C ATOM 2044 C SER A 137 19.946 -4.451 -10.986 1.00 0.00 C ATOM 2045 O SER A 137 19.323 -4.019 -10.021 1.00 0.00 O ATOM 2046 CB SER A 137 21.092 -2.634 -12.260 1.00 0.00 C ATOM 2047 OG SER A 137 20.757 -3.053 -13.568 1.00 0.00 O ATOM 0 H SER A 137 21.860 -5.325 -12.694 1.00 0.00 H new ATOM 0 HA SER A 137 21.740 -3.525 -10.387 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.301 -1.997 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 137 22.001 -2.032 -12.289 1.00 0.00 H new ATOM 0 HG SER A 137 21.566 -3.076 -14.121 1.00 0.00 H new ATOM 2053 N ASN A 138 19.499 -5.501 -11.678 1.00 0.00 N ATOM 2054 CA ASN A 138 18.238 -6.159 -11.336 1.00 0.00 C ATOM 2055 C ASN A 138 18.239 -6.759 -9.907 1.00 0.00 C ATOM 2056 O ASN A 138 17.382 -6.358 -9.117 1.00 0.00 O ATOM 2057 CB ASN A 138 17.880 -7.168 -12.432 1.00 0.00 C ATOM 2058 CG ASN A 138 17.157 -6.532 -13.611 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.275 -5.348 -13.898 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.353 -7.299 -14.310 1.00 0.00 N ATOM 0 H ASN A 138 19.988 -5.911 -12.473 1.00 0.00 H new ATOM 0 HA ASN A 138 17.447 -5.410 -11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.791 -7.649 -12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 138 17.252 -7.951 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 138 15.827 -6.908 -15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.254 -8.286 -14.071 1.00 0.00 H new ATOM 2067 N PRO A 139 19.208 -7.613 -9.502 1.00 0.00 N ATOM 2068 CA PRO A 139 19.321 -8.080 -8.113 1.00 0.00 C ATOM 2069 C PRO A 139 19.435 -6.951 -7.082 1.00 0.00 C ATOM 2070 O PRO A 139 18.882 -7.059 -5.988 1.00 0.00 O ATOM 2071 CB PRO A 139 20.560 -8.981 -8.067 1.00 0.00 C ATOM 2072 CG PRO A 139 20.629 -9.504 -9.496 1.00 0.00 C ATOM 2073 CD PRO A 139 20.206 -8.292 -10.320 1.00 0.00 C ATOM 0 HA PRO A 139 18.408 -8.608 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.457 -8.426 -7.792 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.450 -9.788 -7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 139 21.633 -9.839 -9.756 1.00 0.00 H new ATOM 0 HG3 PRO A 139 19.960 -10.351 -9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 139 21.055 -7.641 -10.530 1.00 0.00 H new ATOM 0 HD3 PRO A 139 19.790 -8.593 -11.282 1.00 0.00 H new ATOM 2081 N TRP A 140 20.120 -5.853 -7.432 1.00 0.00 N ATOM 2082 CA TRP A 140 20.232 -4.660 -6.589 1.00 0.00 C ATOM 2083 C TRP A 140 18.855 -4.035 -6.304 1.00 0.00 C ATOM 2084 O TRP A 140 18.532 -3.797 -5.140 1.00 0.00 O ATOM 2085 CB TRP A 140 21.197 -3.663 -7.248 1.00 0.00 C ATOM 2086 CG TRP A 140 21.470 -2.414 -6.457 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.556 -2.173 -5.685 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.630 -1.225 -6.328 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.443 -0.923 -5.102 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.257 -0.312 -5.430 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.391 -0.827 -6.870 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.674 0.910 -5.063 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.785 0.390 -6.509 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.423 1.254 -5.607 1.00 0.00 C ATOM 0 H TRP A 140 20.617 -5.770 -8.319 1.00 0.00 H new ATOM 0 HA TRP A 140 20.638 -4.945 -5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.144 -4.169 -7.435 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.791 -3.377 -8.218 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.384 -2.852 -5.546 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.154 -0.506 -4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.895 -1.472 -7.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.176 1.574 -4.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.826 0.660 -6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.953 2.186 -5.329 1.00 0.00 H new ATOM 2105 N VAL A 141 18.006 -3.835 -7.328 1.00 0.00 N ATOM 2106 CA VAL A 141 16.643 -3.301 -7.119 1.00 0.00 C ATOM 2107 C VAL A 141 15.762 -4.327 -6.403 1.00 0.00 C ATOM 2108 O VAL A 141 15.004 -3.952 -5.505 1.00 0.00 O ATOM 2109 CB VAL A 141 15.942 -2.842 -8.415 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.612 -2.139 -8.089 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.750 -1.830 -9.237 1.00 0.00 C ATOM 0 H VAL A 141 18.235 -4.033 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 141 16.774 -2.414 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 141 15.811 -3.758 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.132 -1.822 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 141 13.956 -2.829 -7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.805 -1.267 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.190 -1.557 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 141 16.933 -0.938 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.702 -2.274 -9.527 1.00 0.00 H new ATOM 2121 N GLU A 142 15.869 -5.620 -6.748 1.00 0.00 N ATOM 2122 CA GLU A 142 15.102 -6.682 -6.083 1.00 0.00 C ATOM 2123 C GLU A 142 15.388 -6.716 -4.574 1.00 0.00 C ATOM 2124 O GLU A 142 14.449 -6.784 -3.780 1.00 0.00 O ATOM 2125 CB GLU A 142 15.395 -8.049 -6.726 1.00 0.00 C ATOM 2126 CG GLU A 142 14.728 -8.233 -8.097 1.00 0.00 C ATOM 2127 CD GLU A 142 15.135 -9.573 -8.736 1.00 0.00 C ATOM 2128 OE1 GLU A 142 14.661 -10.638 -8.266 1.00 0.00 O ATOM 2129 OE2 GLU A 142 15.915 -9.578 -9.719 1.00 0.00 O1- ATOM 0 H GLU A 142 16.484 -5.955 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 142 14.043 -6.461 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.473 -8.167 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.055 -8.838 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.644 -8.194 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.011 -7.412 -8.756 1.00 0.00 H new ATOM 2136 N HIS A 143 16.663 -6.594 -4.179 1.00 0.00 N ATOM 2137 CA HIS A 143 17.097 -6.458 -2.786 1.00 0.00 C ATOM 2138 C HIS A 143 16.611 -5.149 -2.147 1.00 0.00 C ATOM 2139 O HIS A 143 15.928 -5.209 -1.123 1.00 0.00 O ATOM 2140 CB HIS A 143 18.629 -6.556 -2.723 1.00 0.00 C ATOM 2141 CG HIS A 143 19.182 -6.338 -1.335 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.372 -7.330 -0.366 1.00 0.00 N ATOM 2143 CD2 HIS A 143 19.563 -5.133 -0.818 1.00 0.00 C ATOM 2144 CE1 HIS A 143 19.864 -6.696 0.712 1.00 0.00 C ATOM 2145 NE2 HIS A 143 19.995 -5.379 0.467 1.00 0.00 N ATOM 0 H HIS A 143 17.440 -6.587 -4.839 1.00 0.00 H new ATOM 0 HA HIS A 143 16.649 -7.269 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 143 18.939 -7.538 -3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.062 -5.819 -3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.532 -4.176 -1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.119 -7.176 1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.353 -4.682 1.121 1.00 0.00 H new ATOM 2153 N TRP A 144 16.918 -3.985 -2.740 1.00 0.00 N ATOM 2154 CA TRP A 144 16.555 -2.664 -2.200 1.00 0.00 C ATOM 2155 C TRP A 144 15.052 -2.574 -1.908 1.00 0.00 C ATOM 2156 O TRP A 144 14.672 -2.242 -0.787 1.00 0.00 O ATOM 2157 CB TRP A 144 17.035 -1.557 -3.157 1.00 0.00 C ATOM 2158 CG TRP A 144 16.727 -0.138 -2.755 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.441 0.623 -1.889 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.641 0.728 -3.220 1.00 0.00 C ATOM 2161 NE1 TRP A 144 16.866 1.872 -1.763 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.729 1.975 -2.528 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.582 0.590 -4.150 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 14.795 3.002 -2.701 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.655 1.635 -4.352 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.757 2.832 -3.624 1.00 0.00 C ATOM 0 H TRP A 144 17.432 -3.933 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 144 17.060 -2.521 -1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.115 -1.652 -3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.592 -1.738 -4.136 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.332 0.299 -1.372 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.237 2.621 -1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.482 -0.327 -4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 14.874 3.915 -2.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 12.860 1.513 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.035 3.620 -3.777 1.00 0.00 H new ATOM 2177 N GLY A 145 14.211 -3.010 -2.855 1.00 0.00 N ATOM 2178 CA GLY A 145 12.756 -3.136 -2.735 1.00 0.00 C ATOM 2179 C GLY A 145 12.234 -3.856 -1.480 1.00 0.00 C ATOM 2180 O GLY A 145 11.131 -3.545 -1.035 1.00 0.00 O ATOM 0 H GLY A 145 14.547 -3.299 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.323 -2.136 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.385 -3.666 -3.612 1.00 0.00 H new ATOM 2184 N THR A 146 12.996 -4.773 -0.868 1.00 0.00 N ATOM 2185 CA THR A 146 12.595 -5.452 0.389 1.00 0.00 C ATOM 2186 C THR A 146 12.646 -4.544 1.629 1.00 0.00 C ATOM 2187 O THR A 146 12.018 -4.853 2.645 1.00 0.00 O ATOM 2188 CB THR A 146 13.447 -6.698 0.696 1.00 0.00 C ATOM 2189 OG1 THR A 146 14.787 -6.371 0.989 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.453 -7.718 -0.441 1.00 0.00 C ATOM 0 H THR A 146 13.905 -5.070 -1.222 1.00 0.00 H new ATOM 0 HA THR A 146 11.561 -5.741 0.198 1.00 0.00 H new ATOM 0 HB THR A 146 12.970 -7.141 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.120 -5.731 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.071 -8.571 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.434 -8.055 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 146 13.858 -7.257 -1.342 1.00 0.00 H new ATOM 2198 N LEU A 147 13.383 -3.431 1.562 1.00 0.00 N ATOM 2199 CA LEU A 147 13.699 -2.549 2.694 1.00 0.00 C ATOM 2200 C LEU A 147 12.708 -1.372 2.846 1.00 0.00 C ATOM 2201 O LEU A 147 12.678 -0.703 3.883 1.00 0.00 O ATOM 2202 CB LEU A 147 15.128 -2.014 2.490 1.00 0.00 C ATOM 2203 CG LEU A 147 16.208 -3.096 2.252 1.00 0.00 C ATOM 2204 CD1 LEU A 147 17.565 -2.444 2.007 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.346 -4.051 3.438 1.00 0.00 C ATOM 0 H LEU A 147 13.792 -3.106 0.686 1.00 0.00 H new ATOM 0 HA LEU A 147 13.616 -3.130 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.126 -1.332 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.409 -1.430 3.366 1.00 0.00 H new ATOM 0 HG LEU A 147 15.888 -3.666 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.315 -3.217 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 147 17.506 -1.801 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.844 -1.848 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.116 -4.791 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 147 16.625 -3.487 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.396 -4.556 3.611 1.00 0.00 H new ATOM 2217 N LEU A 148 11.910 -1.123 1.805 1.00 0.00 N ATOM 2218 CA LEU A 148 10.857 -0.104 1.726 1.00 0.00 C ATOM 2219 C LEU A 148 9.708 -0.364 2.734 1.00 0.00 C ATOM 2220 O LEU A 148 9.528 -1.490 3.218 1.00 0.00 O ATOM 2221 CB LEU A 148 10.320 -0.096 0.274 1.00 0.00 C ATOM 2222 CG LEU A 148 11.184 0.600 -0.802 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.147 2.116 -0.649 1.00 0.00 C ATOM 2224 CD2 LEU A 148 12.648 0.189 -0.812 1.00 0.00 C ATOM 0 H LEU A 148 11.985 -1.660 0.941 1.00 0.00 H new ATOM 0 HA LEU A 148 11.276 0.867 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.168 -1.130 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.341 0.382 0.280 1.00 0.00 H new ATOM 0 HG LEU A 148 10.734 0.275 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.765 2.575 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.120 2.467 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.530 2.392 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.172 0.730 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.099 0.425 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 148 12.724 -0.883 -0.995 1.00 0.00 H new ATOM 2236 N SER A 149 8.916 0.682 3.026 1.00 0.00 N ATOM 2237 CA SER A 149 7.650 0.582 3.790 1.00 0.00 C ATOM 2238 C SER A 149 6.645 -0.390 3.156 1.00 0.00 C ATOM 2239 O SER A 149 6.640 -0.561 1.917 1.00 0.00 O ATOM 2240 CB SER A 149 6.978 1.948 3.940 1.00 0.00 C ATOM 2241 OG SER A 149 7.702 2.744 4.860 1.00 0.00 O ATOM 2242 OXT SER A 149 5.788 -0.942 3.884 1.00 0.00 O1- ATOM 0 H SER A 149 9.136 1.635 2.737 1.00 0.00 H new ATOM 0 HA SER A 149 7.933 0.196 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.931 2.448 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.952 1.822 4.284 1.00 0.00 H new ATOM 0 HG SER A 149 8.557 3.010 4.461 1.00 0.00 H new