USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 793 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 63 GLN : amide:sc=-0.00155 X(o=-0.26,f=-0.75) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.0602 K(o=-0.26,f=-1.3) USER MOD Set 1.3: A 70 GLN :FLIP amide:sc= -0.323 F(o=-2.2,f=-0.26) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= -0.184 F(o=-3,f=-0.34) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.159 K(o=-0.34,f=-2.7!) USER MOD Set 3.1: A 24 HIS :FLIP no HE2:sc= 0.0545 F(o=-0.56,f=0.11) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.0513 K(o=0.11,f=-0.45) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -69:sc= 1.15 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 77:sc= 0.28 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc=-0.00132 (180deg=-0.0389) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.435 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0761 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 26:sc= 0.591 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.185 USER MOD Single : A 38 GLN : amide:sc= -1.35 X(o=-1.4,f=-0.9) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -0.421 (180deg=-2.81!) USER MOD Single : A 46 SER OG : rot 70:sc= 0.343 USER MOD Single : A 47 MET CE :methyl -160:sc= 0 (180deg=-0.305) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 0.0753 (180deg=-1.42!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.126 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -0.706 (180deg=-2.84!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 166:sc= 0.592 USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.158 USER MOD Single : A 92 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 93 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.6!) USER MOD Single : A 100 LYS NZ :NH3+ -104:sc= -0.424 (180deg=-2.11!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 3.932 4.101 12.948 1.00 10.23 N ATOM 21 CA GLY A 2 4.473 4.603 11.680 1.00 73.11 C ATOM 22 C GLY A 2 3.360 5.021 10.728 1.00 53.52 C ATOM 23 O GLY A 2 2.295 5.461 11.186 1.00 63.01 O ATOM 0 HA2 GLY A 2 5.127 5.453 11.873 1.00 73.11 H new ATOM 0 HA3 GLY A 2 5.083 3.831 11.212 1.00 73.11 H new ATOM 27 N LYS A 3 3.589 4.867 9.411 1.00 73.44 N ATOM 28 CA LYS A 3 2.602 5.245 8.382 1.00 74.25 C ATOM 29 C LYS A 3 2.724 4.322 7.158 1.00 53.10 C ATOM 30 O LYS A 3 3.826 3.990 6.732 1.00 42.44 O ATOM 31 CB LYS A 3 2.779 6.731 7.950 1.00 51.41 C ATOM 32 CG LYS A 3 1.678 7.250 6.985 1.00 3.31 C ATOM 33 CD LYS A 3 1.994 8.645 6.397 1.00 55.22 C ATOM 34 CE LYS A 3 1.954 9.767 7.437 1.00 21.44 C ATOM 35 NZ LYS A 3 2.380 11.069 6.849 1.00 4.00 N ATOM 0 H LYS A 3 4.454 4.481 9.033 1.00 73.44 H new ATOM 0 HA LYS A 3 1.608 5.132 8.815 1.00 74.25 H new ATOM 0 HB2 LYS A 3 2.790 7.358 8.842 1.00 51.41 H new ATOM 0 HB3 LYS A 3 3.751 6.844 7.469 1.00 51.41 H new ATOM 0 HG2 LYS A 3 1.554 6.538 6.169 1.00 3.31 H new ATOM 0 HG3 LYS A 3 0.728 7.294 7.517 1.00 3.31 H new ATOM 0 HD2 LYS A 3 2.982 8.622 5.937 1.00 55.22 H new ATOM 0 HD3 LYS A 3 1.279 8.868 5.605 1.00 55.22 H new ATOM 0 HE2 LYS A 3 0.944 9.859 7.836 1.00 21.44 H new ATOM 0 HE3 LYS A 3 2.605 9.513 8.273 1.00 21.44 H new ATOM 0 HZ1 LYS A 3 2.342 11.809 7.579 1.00 4.00 H new ATOM 0 HZ2 LYS A 3 3.353 10.986 6.490 1.00 4.00 H new ATOM 0 HZ3 LYS A 3 1.743 11.322 6.067 1.00 4.00 H new ATOM 49 N VAL A 4 1.573 3.924 6.606 1.00 35.11 N ATOM 50 CA VAL A 4 1.487 3.131 5.368 1.00 10.11 C ATOM 51 C VAL A 4 0.942 4.025 4.242 1.00 15.04 C ATOM 52 O VAL A 4 0.156 4.938 4.499 1.00 11.21 O ATOM 53 CB VAL A 4 0.542 1.874 5.546 1.00 11.41 C ATOM 54 CG1 VAL A 4 0.577 0.971 4.291 1.00 73.53 C ATOM 55 CG2 VAL A 4 0.894 1.076 6.823 1.00 13.35 C ATOM 0 H VAL A 4 0.662 4.144 7.009 1.00 35.11 H new ATOM 0 HA VAL A 4 2.485 2.767 5.121 1.00 10.11 H new ATOM 0 HB VAL A 4 -0.477 2.242 5.664 1.00 11.41 H new ATOM 0 HG11 VAL A 4 -0.081 0.115 4.440 1.00 73.53 H new ATOM 0 HG12 VAL A 4 0.241 1.540 3.424 1.00 73.53 H new ATOM 0 HG13 VAL A 4 1.595 0.621 4.123 1.00 73.53 H new ATOM 0 HG21 VAL A 4 0.225 0.220 6.913 1.00 13.35 H new ATOM 0 HG22 VAL A 4 1.925 0.726 6.761 1.00 13.35 H new ATOM 0 HG23 VAL A 4 0.781 1.718 7.696 1.00 13.35 H new ATOM 65 N LEU A 5 1.388 3.777 3.009 1.00 1.42 N ATOM 66 CA LEU A 5 0.832 4.399 1.807 1.00 14.01 C ATOM 67 C LEU A 5 -0.012 3.346 1.075 1.00 74.21 C ATOM 68 O LEU A 5 0.529 2.375 0.536 1.00 21.44 O ATOM 69 CB LEU A 5 1.977 4.932 0.902 1.00 53.35 C ATOM 70 CG LEU A 5 1.533 5.714 -0.376 1.00 32.41 C ATOM 71 CD1 LEU A 5 0.690 6.952 -0.015 1.00 13.44 C ATOM 72 CD2 LEU A 5 2.750 6.092 -1.253 1.00 72.41 C ATOM 0 H LEU A 5 2.154 3.132 2.816 1.00 1.42 H new ATOM 0 HA LEU A 5 0.204 5.250 2.070 1.00 14.01 H new ATOM 0 HB2 LEU A 5 2.612 5.585 1.501 1.00 53.35 H new ATOM 0 HB3 LEU A 5 2.591 4.087 0.591 1.00 53.35 H new ATOM 0 HG LEU A 5 0.899 5.051 -0.964 1.00 32.41 H new ATOM 0 HD11 LEU A 5 0.398 7.472 -0.927 1.00 13.44 H new ATOM 0 HD12 LEU A 5 -0.203 6.639 0.526 1.00 13.44 H new ATOM 0 HD13 LEU A 5 1.278 7.622 0.613 1.00 13.44 H new ATOM 0 HD21 LEU A 5 2.409 6.635 -2.134 1.00 72.41 H new ATOM 0 HD22 LEU A 5 3.430 6.722 -0.680 1.00 72.41 H new ATOM 0 HD23 LEU A 5 3.270 5.186 -1.564 1.00 72.41 H new ATOM 84 N LEU A 6 -1.335 3.525 1.105 1.00 24.32 N ATOM 85 CA LEU A 6 -2.294 2.590 0.503 1.00 62.42 C ATOM 86 C LEU A 6 -2.549 3.012 -0.956 1.00 72.33 C ATOM 87 O LEU A 6 -3.269 3.985 -1.205 1.00 44.33 O ATOM 88 CB LEU A 6 -3.618 2.594 1.329 1.00 61.33 C ATOM 89 CG LEU A 6 -4.709 1.563 0.891 1.00 22.50 C ATOM 90 CD1 LEU A 6 -4.202 0.116 1.033 1.00 45.34 C ATOM 91 CD2 LEU A 6 -6.034 1.781 1.664 1.00 21.41 C ATOM 0 H LEU A 6 -1.776 4.329 1.551 1.00 24.32 H new ATOM 0 HA LEU A 6 -1.893 1.576 0.512 1.00 62.42 H new ATOM 0 HB2 LEU A 6 -3.370 2.407 2.374 1.00 61.33 H new ATOM 0 HB3 LEU A 6 -4.051 3.593 1.278 1.00 61.33 H new ATOM 0 HG LEU A 6 -4.917 1.732 -0.165 1.00 22.50 H new ATOM 0 HD11 LEU A 6 -4.984 -0.576 0.721 1.00 45.34 H new ATOM 0 HD12 LEU A 6 -3.322 -0.024 0.406 1.00 45.34 H new ATOM 0 HD13 LEU A 6 -3.941 -0.078 2.073 1.00 45.34 H new ATOM 0 HD21 LEU A 6 -6.771 1.048 1.336 1.00 21.41 H new ATOM 0 HD22 LEU A 6 -5.855 1.663 2.733 1.00 21.41 H new ATOM 0 HD23 LEU A 6 -6.409 2.786 1.468 1.00 21.41 H new ATOM 103 N VAL A 7 -1.943 2.289 -1.910 1.00 53.40 N ATOM 104 CA VAL A 7 -2.038 2.612 -3.342 1.00 34.53 C ATOM 105 C VAL A 7 -3.279 1.923 -3.944 1.00 41.24 C ATOM 106 O VAL A 7 -3.303 0.701 -4.136 1.00 1.42 O ATOM 107 CB VAL A 7 -0.731 2.164 -4.118 1.00 51.33 C ATOM 108 CG1 VAL A 7 -0.823 2.486 -5.628 1.00 64.33 C ATOM 109 CG2 VAL A 7 0.532 2.788 -3.479 1.00 60.14 C ATOM 0 H VAL A 7 -1.375 1.466 -1.711 1.00 53.40 H new ATOM 0 HA VAL A 7 -2.134 3.693 -3.448 1.00 34.53 H new ATOM 0 HB VAL A 7 -0.649 1.081 -4.029 1.00 51.33 H new ATOM 0 HG11 VAL A 7 0.092 2.164 -6.125 1.00 64.33 H new ATOM 0 HG12 VAL A 7 -1.675 1.962 -6.061 1.00 64.33 H new ATOM 0 HG13 VAL A 7 -0.951 3.560 -5.764 1.00 64.33 H new ATOM 0 HG21 VAL A 7 1.416 2.465 -4.030 1.00 60.14 H new ATOM 0 HG22 VAL A 7 0.459 3.875 -3.515 1.00 60.14 H new ATOM 0 HG23 VAL A 7 0.613 2.464 -2.441 1.00 60.14 H new ATOM 119 N ILE A 8 -4.319 2.736 -4.190 1.00 1.13 N ATOM 120 CA ILE A 8 -5.581 2.316 -4.812 1.00 50.34 C ATOM 121 C ILE A 8 -5.660 2.869 -6.244 1.00 12.54 C ATOM 122 O ILE A 8 -5.353 4.048 -6.488 1.00 72.21 O ATOM 123 CB ILE A 8 -6.825 2.834 -3.986 1.00 53.43 C ATOM 124 CG1 ILE A 8 -6.742 2.334 -2.514 1.00 34.35 C ATOM 125 CG2 ILE A 8 -8.174 2.429 -4.644 1.00 64.45 C ATOM 126 CD1 ILE A 8 -7.887 2.779 -1.628 1.00 41.42 C ATOM 0 H ILE A 8 -4.303 3.728 -3.955 1.00 1.13 H new ATOM 0 HA ILE A 8 -5.605 1.226 -4.828 1.00 50.34 H new ATOM 0 HB ILE A 8 -6.792 3.924 -3.986 1.00 53.43 H new ATOM 0 HG12 ILE A 8 -6.705 1.245 -2.516 1.00 34.35 H new ATOM 0 HG13 ILE A 8 -5.806 2.684 -2.078 1.00 34.35 H new ATOM 0 HG21 ILE A 8 -9.000 2.806 -4.042 1.00 64.45 H new ATOM 0 HG22 ILE A 8 -8.232 2.854 -5.646 1.00 64.45 H new ATOM 0 HG23 ILE A 8 -8.237 1.343 -4.706 1.00 64.45 H new ATOM 0 HD11 ILE A 8 -7.744 2.383 -0.622 1.00 41.42 H new ATOM 0 HD12 ILE A 8 -7.915 3.868 -1.589 1.00 41.42 H new ATOM 0 HD13 ILE A 8 -8.827 2.406 -2.034 1.00 41.42 H new ATOM 138 N SER A 9 -6.074 2.009 -7.175 1.00 2.30 N ATOM 139 CA SER A 9 -6.359 2.378 -8.563 1.00 20.42 C ATOM 140 C SER A 9 -7.469 1.457 -9.081 1.00 12.01 C ATOM 141 O SER A 9 -7.518 0.275 -8.712 1.00 60.13 O ATOM 142 CB SER A 9 -5.102 2.218 -9.463 1.00 61.44 C ATOM 143 OG SER A 9 -3.953 2.813 -8.893 1.00 31.42 O ATOM 0 H SER A 9 -6.224 1.019 -6.983 1.00 2.30 H new ATOM 0 HA SER A 9 -6.664 3.424 -8.597 1.00 20.42 H new ATOM 0 HB2 SER A 9 -4.913 1.158 -9.633 1.00 61.44 H new ATOM 0 HB3 SER A 9 -5.296 2.668 -10.437 1.00 61.44 H new ATOM 0 HG SER A 9 -4.055 3.788 -8.893 1.00 31.42 H new ATOM 149 N THR A 10 -8.334 1.993 -9.942 1.00 51.53 N ATOM 150 CA THR A 10 -9.340 1.199 -10.663 1.00 51.13 C ATOM 151 C THR A 10 -8.662 0.342 -11.765 1.00 50.13 C ATOM 152 O THR A 10 -9.244 -0.625 -12.266 1.00 54.21 O ATOM 153 CB THR A 10 -10.433 2.142 -11.270 1.00 14.22 C ATOM 154 OG1 THR A 10 -9.797 3.249 -11.933 1.00 34.44 O ATOM 155 CG2 THR A 10 -11.395 2.680 -10.185 1.00 74.52 C ATOM 0 H THR A 10 -8.361 2.989 -10.162 1.00 51.53 H new ATOM 0 HA THR A 10 -9.827 0.520 -9.964 1.00 51.13 H new ATOM 0 HB THR A 10 -11.019 1.559 -11.981 1.00 14.22 H new ATOM 0 HG1 THR A 10 -10.481 3.838 -12.314 1.00 34.44 H new ATOM 0 HG21 THR A 10 -12.138 3.330 -10.647 1.00 74.52 H new ATOM 0 HG22 THR A 10 -11.897 1.844 -9.697 1.00 74.52 H new ATOM 0 HG23 THR A 10 -10.829 3.245 -9.445 1.00 74.52 H new ATOM 163 N ASP A 11 -7.411 0.703 -12.093 1.00 72.11 N ATOM 164 CA ASP A 11 -6.575 0.005 -13.073 1.00 71.21 C ATOM 165 C ASP A 11 -5.406 -0.688 -12.347 1.00 3.14 C ATOM 166 O ASP A 11 -4.344 -0.093 -12.127 1.00 13.01 O ATOM 167 CB ASP A 11 -6.068 1.005 -14.135 1.00 51.44 C ATOM 168 CG ASP A 11 -7.203 1.568 -15.004 1.00 44.24 C ATOM 169 OD1 ASP A 11 -7.866 2.540 -14.583 1.00 64.31 O ATOM 170 OD2 ASP A 11 -7.444 1.040 -16.109 1.00 72.42 O ATOM 0 H ASP A 11 -6.946 1.507 -11.672 1.00 72.11 H new ATOM 0 HA ASP A 11 -7.160 -0.759 -13.585 1.00 71.21 H new ATOM 0 HB2 ASP A 11 -5.553 1.827 -13.638 1.00 51.44 H new ATOM 0 HB3 ASP A 11 -5.336 0.511 -14.774 1.00 51.44 H new ATOM 175 N THR A 12 -5.636 -1.949 -11.953 1.00 71.11 N ATOM 176 CA THR A 12 -4.636 -2.795 -11.281 1.00 33.52 C ATOM 177 C THR A 12 -3.459 -3.156 -12.234 1.00 43.03 C ATOM 178 O THR A 12 -2.388 -3.567 -11.780 1.00 63.12 O ATOM 179 CB THR A 12 -5.326 -4.072 -10.703 1.00 34.41 C ATOM 180 OG1 THR A 12 -6.418 -3.671 -9.860 1.00 72.32 O ATOM 181 CG2 THR A 12 -4.379 -4.959 -9.888 1.00 41.43 C ATOM 0 H THR A 12 -6.532 -2.416 -12.093 1.00 71.11 H new ATOM 0 HA THR A 12 -4.204 -2.233 -10.453 1.00 33.52 H new ATOM 0 HB THR A 12 -5.667 -4.661 -11.555 1.00 34.41 H new ATOM 0 HG1 THR A 12 -6.858 -4.467 -9.494 1.00 72.32 H new ATOM 0 HG21 THR A 12 -4.923 -5.827 -9.517 1.00 41.43 H new ATOM 0 HG22 THR A 12 -3.556 -5.290 -10.521 1.00 41.43 H new ATOM 0 HG23 THR A 12 -3.983 -4.391 -9.046 1.00 41.43 H new ATOM 189 N ASN A 13 -3.671 -2.963 -13.555 1.00 54.41 N ATOM 190 CA ASN A 13 -2.594 -3.016 -14.576 1.00 21.22 C ATOM 191 C ASN A 13 -1.483 -1.995 -14.250 1.00 20.23 C ATOM 192 O ASN A 13 -0.288 -2.296 -14.382 1.00 55.02 O ATOM 193 CB ASN A 13 -3.164 -2.730 -15.999 1.00 30.20 C ATOM 194 CG ASN A 13 -4.092 -3.839 -16.510 1.00 63.31 C ATOM 195 OD1 ASN A 13 -5.306 -3.807 -16.294 1.00 2.14 O ATOM 196 ND2 ASN A 13 -3.525 -4.835 -17.180 1.00 65.04 N ATOM 0 H ASN A 13 -4.592 -2.766 -13.946 1.00 54.41 H new ATOM 0 HA ASN A 13 -2.171 -4.020 -14.560 1.00 21.22 H new ATOM 0 HB2 ASN A 13 -3.710 -1.787 -15.982 1.00 30.20 H new ATOM 0 HB3 ASN A 13 -2.336 -2.607 -16.697 1.00 30.20 H new ATOM 0 HD21 ASN A 13 -4.096 -5.603 -17.533 1.00 65.04 H new ATOM 0 HD22 ASN A 13 -2.518 -4.832 -17.342 1.00 65.04 H new ATOM 203 N ILE A 14 -1.902 -0.800 -13.790 1.00 54.22 N ATOM 204 CA ILE A 14 -0.981 0.282 -13.399 1.00 61.03 C ATOM 205 C ILE A 14 -0.278 -0.086 -12.076 1.00 23.34 C ATOM 206 O ILE A 14 0.939 0.066 -11.950 1.00 43.51 O ATOM 207 CB ILE A 14 -1.748 1.656 -13.270 1.00 74.14 C ATOM 208 CG1 ILE A 14 -2.457 2.032 -14.614 1.00 33.10 C ATOM 209 CG2 ILE A 14 -0.814 2.790 -12.806 1.00 54.03 C ATOM 210 CD1 ILE A 14 -1.538 2.165 -15.826 1.00 33.31 C ATOM 0 H ILE A 14 -2.887 -0.559 -13.680 1.00 54.22 H new ATOM 0 HA ILE A 14 -0.226 0.400 -14.176 1.00 61.03 H new ATOM 0 HB ILE A 14 -2.513 1.529 -12.504 1.00 74.14 H new ATOM 0 HG12 ILE A 14 -3.210 1.274 -14.832 1.00 33.10 H new ATOM 0 HG13 ILE A 14 -2.985 2.975 -14.475 1.00 33.10 H new ATOM 0 HG21 ILE A 14 -1.379 3.719 -12.730 1.00 54.03 H new ATOM 0 HG22 ILE A 14 -0.394 2.540 -11.832 1.00 54.03 H new ATOM 0 HG23 ILE A 14 -0.007 2.915 -13.528 1.00 54.03 H new ATOM 0 HD11 ILE A 14 -2.129 2.427 -16.704 1.00 33.31 H new ATOM 0 HD12 ILE A 14 -0.800 2.945 -15.639 1.00 33.31 H new ATOM 0 HD13 ILE A 14 -1.028 1.218 -16.002 1.00 33.31 H new ATOM 222 N ILE A 15 -1.068 -0.642 -11.132 1.00 74.24 N ATOM 223 CA ILE A 15 -0.583 -1.101 -9.811 1.00 32.31 C ATOM 224 C ILE A 15 0.491 -2.208 -9.971 1.00 11.41 C ATOM 225 O ILE A 15 1.464 -2.243 -9.218 1.00 40.02 O ATOM 226 CB ILE A 15 -1.796 -1.617 -8.928 1.00 41.23 C ATOM 227 CG1 ILE A 15 -2.766 -0.440 -8.596 1.00 12.02 C ATOM 228 CG2 ILE A 15 -1.335 -2.332 -7.639 1.00 54.05 C ATOM 229 CD1 ILE A 15 -3.969 -0.821 -7.741 1.00 63.44 C ATOM 0 H ILE A 15 -2.069 -0.786 -11.266 1.00 74.24 H new ATOM 0 HA ILE A 15 -0.120 -0.256 -9.302 1.00 32.31 H new ATOM 0 HB ILE A 15 -2.329 -2.361 -9.520 1.00 41.23 H new ATOM 0 HG12 ILE A 15 -2.205 0.340 -8.081 1.00 12.02 H new ATOM 0 HG13 ILE A 15 -3.125 -0.010 -9.531 1.00 12.02 H new ATOM 0 HG21 ILE A 15 -2.207 -2.663 -7.075 1.00 54.05 H new ATOM 0 HG22 ILE A 15 -0.723 -3.195 -7.901 1.00 54.05 H new ATOM 0 HG23 ILE A 15 -0.749 -1.643 -7.030 1.00 54.05 H new ATOM 0 HD11 ILE A 15 -4.583 0.062 -7.564 1.00 63.44 H new ATOM 0 HD12 ILE A 15 -4.560 -1.576 -8.260 1.00 63.44 H new ATOM 0 HD13 ILE A 15 -3.625 -1.221 -6.787 1.00 63.44 H new ATOM 241 N SER A 16 0.309 -3.073 -10.990 1.00 20.42 N ATOM 242 CA SER A 16 1.224 -4.187 -11.299 1.00 21.11 C ATOM 243 C SER A 16 2.592 -3.661 -11.790 1.00 63.51 C ATOM 244 O SER A 16 3.638 -4.154 -11.364 1.00 61.22 O ATOM 245 CB SER A 16 0.580 -5.103 -12.371 1.00 60.32 C ATOM 246 OG SER A 16 1.373 -6.252 -12.640 1.00 24.13 O ATOM 0 H SER A 16 -0.486 -3.016 -11.627 1.00 20.42 H new ATOM 0 HA SER A 16 1.396 -4.762 -10.389 1.00 21.11 H new ATOM 0 HB2 SER A 16 -0.408 -5.416 -12.033 1.00 60.32 H new ATOM 0 HB3 SER A 16 0.438 -4.538 -13.292 1.00 60.32 H new ATOM 0 HG SER A 16 0.931 -6.803 -13.319 1.00 24.13 H new ATOM 252 N SER A 17 2.556 -2.646 -12.680 1.00 1.20 N ATOM 253 CA SER A 17 3.768 -1.980 -13.203 1.00 51.42 C ATOM 254 C SER A 17 4.597 -1.351 -12.055 1.00 53.52 C ATOM 255 O SER A 17 5.789 -1.650 -11.883 1.00 25.33 O ATOM 256 CB SER A 17 3.347 -0.899 -14.226 1.00 14.53 C ATOM 257 OG SER A 17 2.542 -1.460 -15.251 1.00 71.22 O ATOM 0 H SER A 17 1.687 -2.266 -13.056 1.00 1.20 H new ATOM 0 HA SER A 17 4.399 -2.721 -13.694 1.00 51.42 H new ATOM 0 HB2 SER A 17 2.797 -0.107 -13.718 1.00 14.53 H new ATOM 0 HB3 SER A 17 4.234 -0.441 -14.664 1.00 14.53 H new ATOM 0 HG SER A 17 1.635 -1.608 -14.911 1.00 71.22 H new ATOM 263 N VAL A 18 3.907 -0.532 -11.242 1.00 4.12 N ATOM 264 CA VAL A 18 4.513 0.223 -10.126 1.00 31.44 C ATOM 265 C VAL A 18 5.039 -0.728 -9.028 1.00 60.03 C ATOM 266 O VAL A 18 6.063 -0.446 -8.389 1.00 30.41 O ATOM 267 CB VAL A 18 3.479 1.242 -9.525 1.00 42.35 C ATOM 268 CG1 VAL A 18 4.087 2.066 -8.369 1.00 33.01 C ATOM 269 CG2 VAL A 18 2.924 2.162 -10.635 1.00 34.13 C ATOM 0 H VAL A 18 2.904 -0.373 -11.340 1.00 4.12 H new ATOM 0 HA VAL A 18 5.362 0.781 -10.520 1.00 31.44 H new ATOM 0 HB VAL A 18 2.653 0.669 -9.104 1.00 42.35 H new ATOM 0 HG11 VAL A 18 3.339 2.758 -7.982 1.00 33.01 H new ATOM 0 HG12 VAL A 18 4.406 1.394 -7.572 1.00 33.01 H new ATOM 0 HG13 VAL A 18 4.946 2.628 -8.735 1.00 33.01 H new ATOM 0 HG21 VAL A 18 2.209 2.862 -10.203 1.00 34.13 H new ATOM 0 HG22 VAL A 18 3.744 2.716 -11.092 1.00 34.13 H new ATOM 0 HG23 VAL A 18 2.427 1.558 -11.394 1.00 34.13 H new ATOM 279 N GLN A 19 4.337 -1.862 -8.859 1.00 72.42 N ATOM 280 CA GLN A 19 4.723 -2.939 -7.930 1.00 54.31 C ATOM 281 C GLN A 19 6.123 -3.471 -8.277 1.00 34.42 C ATOM 282 O GLN A 19 7.006 -3.485 -7.431 1.00 62.43 O ATOM 283 CB GLN A 19 3.694 -4.094 -8.008 1.00 12.12 C ATOM 284 CG GLN A 19 3.968 -5.279 -7.061 1.00 13.52 C ATOM 285 CD GLN A 19 3.237 -6.574 -7.445 1.00 54.12 C ATOM 286 OE1 GLN A 19 2.058 -6.466 -8.050 1.00 33.12 O flip ATOM 287 NE2 GLN A 19 3.730 -7.671 -7.186 1.00 72.34 N flip ATOM 0 H GLN A 19 3.476 -2.059 -9.369 1.00 72.42 H new ATOM 0 HA GLN A 19 4.740 -2.536 -6.917 1.00 54.31 H new ATOM 0 HB2 GLN A 19 2.704 -3.694 -7.787 1.00 12.12 H new ATOM 0 HB3 GLN A 19 3.666 -4.466 -9.032 1.00 12.12 H new ATOM 0 HG2 GLN A 19 5.040 -5.473 -7.041 1.00 13.52 H new ATOM 0 HG3 GLN A 19 3.676 -4.996 -6.050 1.00 13.52 H new ATOM 0 HE21 GLN A 19 4.636 -7.726 -6.721 1.00 72.34 H new ATOM 0 HE22 GLN A 19 3.233 -8.526 -7.436 1.00 72.34 H new ATOM 296 N GLU A 20 6.298 -3.854 -9.555 1.00 64.31 N ATOM 297 CA GLU A 20 7.543 -4.457 -10.064 1.00 63.40 C ATOM 298 C GLU A 20 8.726 -3.478 -10.010 1.00 11.04 C ATOM 299 O GLU A 20 9.870 -3.890 -9.793 1.00 54.13 O ATOM 300 CB GLU A 20 7.314 -4.960 -11.509 1.00 35.22 C ATOM 301 CG GLU A 20 6.224 -6.043 -11.630 1.00 74.24 C ATOM 302 CD GLU A 20 6.513 -7.299 -10.794 1.00 3.21 C ATOM 303 OE1 GLU A 20 7.250 -8.187 -11.278 1.00 12.40 O ATOM 304 OE2 GLU A 20 6.016 -7.406 -9.647 1.00 25.41 O ATOM 0 H GLU A 20 5.575 -3.753 -10.268 1.00 64.31 H new ATOM 0 HA GLU A 20 7.802 -5.297 -9.419 1.00 63.40 H new ATOM 0 HB2 GLU A 20 7.042 -4.113 -12.139 1.00 35.22 H new ATOM 0 HB3 GLU A 20 8.252 -5.358 -11.897 1.00 35.22 H new ATOM 0 HG2 GLU A 20 5.268 -5.621 -11.319 1.00 74.24 H new ATOM 0 HG3 GLU A 20 6.121 -6.329 -12.677 1.00 74.24 H new ATOM 311 N ARG A 21 8.426 -2.182 -10.200 1.00 61.53 N ATOM 312 CA ARG A 21 9.416 -1.096 -10.084 1.00 24.44 C ATOM 313 C ARG A 21 9.921 -0.975 -8.632 1.00 34.32 C ATOM 314 O ARG A 21 11.131 -0.904 -8.381 1.00 12.44 O ATOM 315 CB ARG A 21 8.783 0.247 -10.530 1.00 34.41 C ATOM 316 CG ARG A 21 8.319 0.288 -12.000 1.00 22.40 C ATOM 317 CD ARG A 21 7.613 1.608 -12.357 1.00 64.11 C ATOM 318 NE ARG A 21 7.012 1.579 -13.700 1.00 1.04 N ATOM 319 CZ ARG A 21 6.380 2.617 -14.285 1.00 41.55 C ATOM 320 NH1 ARG A 21 6.258 3.784 -13.650 1.00 34.31 N ATOM 321 NH2 ARG A 21 5.893 2.484 -15.516 1.00 14.42 N ATOM 0 H ARG A 21 7.489 -1.857 -10.439 1.00 61.53 H new ATOM 0 HA ARG A 21 10.262 -1.330 -10.731 1.00 24.44 H new ATOM 0 HB2 ARG A 21 7.928 0.460 -9.888 1.00 34.41 H new ATOM 0 HB3 ARG A 21 9.508 1.045 -10.370 1.00 34.41 H new ATOM 0 HG2 ARG A 21 9.180 0.152 -12.654 1.00 22.40 H new ATOM 0 HG3 ARG A 21 7.642 -0.545 -12.188 1.00 22.40 H new ATOM 0 HD2 ARG A 21 6.837 1.813 -11.619 1.00 64.11 H new ATOM 0 HD3 ARG A 21 8.330 2.427 -12.301 1.00 64.11 H new ATOM 0 HE ARG A 21 7.078 0.709 -14.228 1.00 1.04 H new ATOM 0 HH11 ARG A 21 6.645 3.898 -12.713 1.00 34.31 H new ATOM 0 HH12 ARG A 21 5.778 4.563 -14.102 1.00 34.31 H new ATOM 0 HH21 ARG A 21 5.998 1.600 -16.013 1.00 14.42 H new ATOM 0 HH22 ARG A 21 5.414 3.266 -15.962 1.00 14.42 H new ATOM 335 N ALA A 22 8.965 -0.986 -7.688 1.00 10.01 N ATOM 336 CA ALA A 22 9.232 -0.805 -6.255 1.00 14.35 C ATOM 337 C ALA A 22 9.949 -2.032 -5.658 1.00 62.41 C ATOM 338 O ALA A 22 10.842 -1.891 -4.824 1.00 25.21 O ATOM 339 CB ALA A 22 7.910 -0.519 -5.526 1.00 34.01 C ATOM 0 H ALA A 22 7.977 -1.122 -7.902 1.00 10.01 H new ATOM 0 HA ALA A 22 9.901 0.045 -6.123 1.00 14.35 H new ATOM 0 HB1 ALA A 22 8.103 -0.384 -4.462 1.00 34.01 H new ATOM 0 HB2 ALA A 22 7.460 0.387 -5.931 1.00 34.01 H new ATOM 0 HB3 ALA A 22 7.228 -1.357 -5.667 1.00 34.01 H new ATOM 345 N LYS A 23 9.551 -3.234 -6.121 1.00 1.15 N ATOM 346 CA LYS A 23 10.165 -4.514 -5.716 1.00 53.44 C ATOM 347 C LYS A 23 11.611 -4.631 -6.238 1.00 64.42 C ATOM 348 O LYS A 23 12.461 -5.241 -5.584 1.00 42.35 O ATOM 349 CB LYS A 23 9.314 -5.723 -6.218 1.00 32.13 C ATOM 350 CG LYS A 23 7.938 -5.876 -5.520 1.00 34.44 C ATOM 351 CD LYS A 23 7.130 -7.103 -6.012 1.00 61.53 C ATOM 352 CE LYS A 23 7.821 -8.446 -5.718 1.00 65.05 C ATOM 353 NZ LYS A 23 8.033 -8.667 -4.262 1.00 53.03 N ATOM 0 H LYS A 23 8.790 -3.344 -6.791 1.00 1.15 H new ATOM 0 HA LYS A 23 10.192 -4.534 -4.627 1.00 53.44 H new ATOM 0 HB2 LYS A 23 9.153 -5.617 -7.291 1.00 32.13 H new ATOM 0 HB3 LYS A 23 9.886 -6.639 -6.071 1.00 32.13 H new ATOM 0 HG2 LYS A 23 8.092 -5.960 -4.444 1.00 34.44 H new ATOM 0 HG3 LYS A 23 7.351 -4.973 -5.688 1.00 34.44 H new ATOM 0 HD2 LYS A 23 6.148 -7.096 -5.538 1.00 61.53 H new ATOM 0 HD3 LYS A 23 6.966 -7.014 -7.086 1.00 61.53 H new ATOM 0 HE2 LYS A 23 7.217 -9.259 -6.122 1.00 65.05 H new ATOM 0 HE3 LYS A 23 8.782 -8.477 -6.231 1.00 65.05 H new ATOM 0 HZ1 LYS A 23 8.407 -9.625 -4.107 1.00 53.03 H new ATOM 0 HZ2 LYS A 23 8.712 -7.967 -3.900 1.00 53.03 H new ATOM 0 HZ3 LYS A 23 7.128 -8.564 -3.760 1.00 53.03 H new ATOM 367 N HIS A 24 11.876 -4.058 -7.429 1.00 34.04 N ATOM 368 CA HIS A 24 13.216 -4.083 -8.050 1.00 22.11 C ATOM 369 C HIS A 24 14.194 -3.158 -7.293 1.00 42.44 C ATOM 370 O HIS A 24 15.307 -3.572 -6.946 1.00 41.53 O ATOM 371 CB HIS A 24 13.115 -3.664 -9.545 1.00 22.20 C ATOM 372 CG HIS A 24 14.424 -3.707 -10.305 1.00 33.04 C ATOM 373 ND1 HIS A 24 15.386 -2.766 -10.488 1.00 41.35 N flip ATOM 374 CD2 HIS A 24 14.869 -4.828 -10.978 1.00 40.10 C flip ATOM 375 CE1 HIS A 24 16.373 -3.337 -11.247 1.00 74.04 C flip ATOM 376 NE2 HIS A 24 16.042 -4.578 -11.523 1.00 3.45 N flip ATOM 0 H HIS A 24 11.174 -3.569 -7.984 1.00 34.04 H new ATOM 0 HA HIS A 24 13.605 -5.100 -7.992 1.00 22.11 H new ATOM 0 HB2 HIS A 24 12.400 -4.318 -10.044 1.00 22.20 H new ATOM 0 HB3 HIS A 24 12.713 -2.652 -9.598 1.00 22.20 H new ATOM 0 HD1 HIS A 24 15.376 -1.812 -10.127 1.00 41.35 H new ATOM 0 HD2 HIS A 24 14.337 -5.765 -11.047 1.00 40.10 H new ATOM 0 HE1 HIS A 24 17.279 -2.845 -11.568 1.00 74.04 H new ATOM 385 N ASN A 25 13.760 -1.914 -7.040 1.00 52.52 N ATOM 386 CA ASN A 25 14.636 -0.845 -6.497 1.00 63.41 C ATOM 387 C ASN A 25 14.757 -0.919 -4.966 1.00 62.01 C ATOM 388 O ASN A 25 15.783 -0.531 -4.394 1.00 3.43 O ATOM 389 CB ASN A 25 14.098 0.551 -6.914 1.00 55.40 C ATOM 390 CG ASN A 25 14.061 0.758 -8.435 1.00 61.41 C ATOM 391 OD1 ASN A 25 14.860 0.189 -9.178 1.00 14.11 O ATOM 392 ND2 ASN A 25 13.141 1.580 -8.899 1.00 3.01 N ATOM 0 H ASN A 25 12.799 -1.614 -7.202 1.00 52.52 H new ATOM 0 HA ASN A 25 15.631 -0.997 -6.916 1.00 63.41 H new ATOM 0 HB2 ASN A 25 13.093 0.680 -6.512 1.00 55.40 H new ATOM 0 HB3 ASN A 25 14.723 1.323 -6.464 1.00 55.40 H new ATOM 0 HD21 ASN A 25 13.077 1.760 -9.901 1.00 3.01 H new ATOM 0 HD22 ASN A 25 12.493 2.036 -8.256 1.00 3.01 H new ATOM 399 N TYR A 26 13.693 -1.397 -4.313 1.00 54.41 N ATOM 400 CA TYR A 26 13.601 -1.468 -2.841 1.00 32.23 C ATOM 401 C TYR A 26 13.410 -2.929 -2.396 1.00 2.14 C ATOM 402 O TYR A 26 12.919 -3.751 -3.184 1.00 1.22 O ATOM 403 CB TYR A 26 12.417 -0.591 -2.338 1.00 34.32 C ATOM 404 CG TYR A 26 12.483 0.872 -2.803 1.00 32.52 C ATOM 405 CD1 TYR A 26 13.248 1.818 -2.115 1.00 14.32 C ATOM 406 CD2 TYR A 26 11.795 1.299 -3.943 1.00 73.15 C ATOM 407 CE1 TYR A 26 13.336 3.125 -2.556 1.00 52.51 C ATOM 408 CE2 TYR A 26 11.875 2.607 -4.379 1.00 32.44 C ATOM 409 CZ TYR A 26 12.648 3.514 -3.682 1.00 41.34 C ATOM 410 OH TYR A 26 12.760 4.811 -4.134 1.00 41.13 O ATOM 0 H TYR A 26 12.863 -1.749 -4.789 1.00 54.41 H new ATOM 0 HA TYR A 26 14.526 -1.088 -2.408 1.00 32.23 H new ATOM 0 HB2 TYR A 26 11.481 -1.030 -2.683 1.00 34.32 H new ATOM 0 HB3 TYR A 26 12.397 -0.615 -1.248 1.00 34.32 H new ATOM 0 HD1 TYR A 26 13.780 1.522 -1.223 1.00 14.32 H new ATOM 0 HD2 TYR A 26 11.190 0.593 -4.493 1.00 73.15 H new ATOM 0 HE1 TYR A 26 13.943 3.838 -2.018 1.00 52.51 H new ATOM 0 HE2 TYR A 26 11.335 2.919 -5.261 1.00 32.44 H new ATOM 0 HH TYR A 26 12.970 4.807 -5.091 1.00 41.13 H new ATOM 420 N PRO A 27 13.808 -3.291 -1.134 1.00 74.10 N ATOM 421 CA PRO A 27 13.575 -4.651 -0.597 1.00 13.33 C ATOM 422 C PRO A 27 12.069 -4.962 -0.442 1.00 51.53 C ATOM 423 O PRO A 27 11.252 -4.044 -0.231 1.00 54.42 O ATOM 424 CB PRO A 27 14.300 -4.633 0.777 1.00 4.41 C ATOM 425 CG PRO A 27 14.360 -3.185 1.157 1.00 12.22 C ATOM 426 CD PRO A 27 14.533 -2.435 -0.146 1.00 42.44 C ATOM 0 HA PRO A 27 13.949 -5.430 -1.261 1.00 13.33 H new ATOM 0 HB2 PRO A 27 13.755 -5.215 1.520 1.00 4.41 H new ATOM 0 HB3 PRO A 27 15.298 -5.065 0.704 1.00 4.41 H new ATOM 0 HG2 PRO A 27 13.450 -2.876 1.671 1.00 12.22 H new ATOM 0 HG3 PRO A 27 15.191 -2.991 1.835 1.00 12.22 H new ATOM 0 HD2 PRO A 27 14.107 -1.433 -0.093 1.00 42.44 H new ATOM 0 HD3 PRO A 27 15.585 -2.321 -0.408 1.00 42.44 H new ATOM 434 N GLY A 28 11.723 -6.260 -0.540 1.00 74.53 N ATOM 435 CA GLY A 28 10.347 -6.726 -0.334 1.00 33.25 C ATOM 436 C GLY A 28 9.995 -6.835 1.145 1.00 65.20 C ATOM 437 O GLY A 28 9.633 -7.904 1.638 1.00 53.21 O ATOM 0 H GLY A 28 12.384 -7.004 -0.762 1.00 74.53 H new ATOM 0 HA2 GLY A 28 9.655 -6.039 -0.821 1.00 33.25 H new ATOM 0 HA3 GLY A 28 10.219 -7.698 -0.810 1.00 33.25 H new ATOM 441 N ARG A 29 10.139 -5.708 1.846 1.00 52.53 N ATOM 442 CA ARG A 29 9.857 -5.570 3.282 1.00 32.41 C ATOM 443 C ARG A 29 8.859 -4.424 3.461 1.00 23.04 C ATOM 444 O ARG A 29 7.886 -4.531 4.212 1.00 75.44 O ATOM 445 CB ARG A 29 11.169 -5.262 4.066 1.00 25.04 C ATOM 446 CG ARG A 29 12.263 -6.345 3.927 1.00 15.40 C ATOM 447 CD ARG A 29 13.575 -5.981 4.645 1.00 44.25 C ATOM 448 NE ARG A 29 14.625 -6.991 4.404 1.00 61.24 N ATOM 449 CZ ARG A 29 15.950 -6.789 4.540 1.00 51.11 C ATOM 450 NH1 ARG A 29 16.425 -5.600 4.922 1.00 62.24 N ATOM 451 NH2 ARG A 29 16.800 -7.782 4.304 1.00 22.32 N ATOM 0 H ARG A 29 10.464 -4.840 1.421 1.00 52.53 H new ATOM 0 HA ARG A 29 9.442 -6.499 3.671 1.00 32.41 H new ATOM 0 HB2 ARG A 29 11.571 -4.310 3.719 1.00 25.04 H new ATOM 0 HB3 ARG A 29 10.927 -5.140 5.122 1.00 25.04 H new ATOM 0 HG2 ARG A 29 11.886 -7.286 4.328 1.00 15.40 H new ATOM 0 HG3 ARG A 29 12.469 -6.510 2.869 1.00 15.40 H new ATOM 0 HD2 ARG A 29 13.921 -5.006 4.300 1.00 44.25 H new ATOM 0 HD3 ARG A 29 13.392 -5.894 5.716 1.00 44.25 H new ATOM 0 HE ARG A 29 14.322 -7.919 4.110 1.00 61.24 H new ATOM 0 HH11 ARG A 29 15.782 -4.832 5.115 1.00 62.24 H new ATOM 0 HH12 ARG A 29 17.431 -5.460 5.021 1.00 62.24 H new ATOM 0 HH21 ARG A 29 16.449 -8.697 4.020 1.00 22.32 H new ATOM 0 HH22 ARG A 29 17.803 -7.630 4.407 1.00 22.32 H new ATOM 465 N TYR A 30 9.140 -3.322 2.749 1.00 33.54 N ATOM 466 CA TYR A 30 8.312 -2.110 2.769 1.00 14.22 C ATOM 467 C TYR A 30 7.230 -2.165 1.678 1.00 33.41 C ATOM 468 O TYR A 30 6.249 -1.433 1.739 1.00 73.11 O ATOM 469 CB TYR A 30 9.209 -0.863 2.588 1.00 3.02 C ATOM 470 CG TYR A 30 10.252 -0.696 3.704 1.00 12.52 C ATOM 471 CD1 TYR A 30 9.934 -0.034 4.892 1.00 20.21 C ATOM 472 CD2 TYR A 30 11.545 -1.215 3.576 1.00 52.42 C ATOM 473 CE1 TYR A 30 10.865 0.096 5.909 1.00 4.43 C ATOM 474 CE2 TYR A 30 12.475 -1.080 4.591 1.00 44.12 C ATOM 475 CZ TYR A 30 12.131 -0.426 5.752 1.00 63.20 C ATOM 476 OH TYR A 30 13.058 -0.297 6.766 1.00 30.41 O ATOM 0 H TYR A 30 9.954 -3.248 2.139 1.00 33.54 H new ATOM 0 HA TYR A 30 7.807 -2.047 3.733 1.00 14.22 H new ATOM 0 HB2 TYR A 30 9.722 -0.929 1.628 1.00 3.02 H new ATOM 0 HB3 TYR A 30 8.580 0.026 2.553 1.00 3.02 H new ATOM 0 HD1 TYR A 30 8.946 0.383 5.020 1.00 20.21 H new ATOM 0 HD2 TYR A 30 11.822 -1.730 2.668 1.00 52.42 H new ATOM 0 HE1 TYR A 30 10.600 0.605 6.824 1.00 4.43 H new ATOM 0 HE2 TYR A 30 13.468 -1.487 4.473 1.00 44.12 H new ATOM 0 HH TYR A 30 13.899 -0.720 6.496 1.00 30.41 H new ATOM 486 N ILE A 31 7.431 -3.040 0.682 1.00 12.32 N ATOM 487 CA ILE A 31 6.486 -3.233 -0.432 1.00 24.31 C ATOM 488 C ILE A 31 5.710 -4.536 -0.187 1.00 71.40 C ATOM 489 O ILE A 31 6.316 -5.591 0.048 1.00 21.12 O ATOM 490 CB ILE A 31 7.220 -3.284 -1.841 1.00 63.11 C ATOM 491 CG1 ILE A 31 7.876 -1.905 -2.209 1.00 42.24 C ATOM 492 CG2 ILE A 31 6.247 -3.736 -2.970 1.00 31.32 C ATOM 493 CD1 ILE A 31 9.090 -1.500 -1.383 1.00 23.20 C ATOM 0 H ILE A 31 8.256 -3.637 0.625 1.00 12.32 H new ATOM 0 HA ILE A 31 5.806 -2.381 -0.465 1.00 24.31 H new ATOM 0 HB ILE A 31 8.017 -4.022 -1.754 1.00 63.11 H new ATOM 0 HG12 ILE A 31 8.169 -1.933 -3.259 1.00 42.24 H new ATOM 0 HG13 ILE A 31 7.119 -1.127 -2.110 1.00 42.24 H new ATOM 0 HG21 ILE A 31 6.779 -3.761 -3.921 1.00 31.32 H new ATOM 0 HG22 ILE A 31 5.863 -4.731 -2.743 1.00 31.32 H new ATOM 0 HG23 ILE A 31 5.416 -3.033 -3.037 1.00 31.32 H new ATOM 0 HD11 ILE A 31 9.457 -0.533 -1.726 1.00 23.20 H new ATOM 0 HD12 ILE A 31 8.808 -1.429 -0.332 1.00 23.20 H new ATOM 0 HD13 ILE A 31 9.875 -2.248 -1.499 1.00 23.20 H new ATOM 505 N ARG A 32 4.374 -4.439 -0.206 1.00 32.41 N ATOM 506 CA ARG A 32 3.468 -5.581 -0.047 1.00 73.53 C ATOM 507 C ARG A 32 2.214 -5.376 -0.921 1.00 25.15 C ATOM 508 O ARG A 32 1.842 -4.246 -1.225 1.00 71.34 O ATOM 509 CB ARG A 32 3.073 -5.715 1.452 1.00 23.04 C ATOM 510 CG ARG A 32 2.054 -6.835 1.764 1.00 61.11 C ATOM 511 CD ARG A 32 2.547 -8.246 1.399 1.00 54.12 C ATOM 512 NE ARG A 32 1.493 -9.262 1.564 1.00 61.33 N ATOM 513 CZ ARG A 32 1.294 -9.996 2.666 1.00 41.32 C ATOM 514 NH1 ARG A 32 2.069 -9.842 3.734 1.00 13.32 N ATOM 515 NH2 ARG A 32 0.336 -10.900 2.682 1.00 22.14 N ATOM 0 H ARG A 32 3.887 -3.552 -0.334 1.00 32.41 H new ATOM 0 HA ARG A 32 3.966 -6.496 -0.367 1.00 73.53 H new ATOM 0 HB2 ARG A 32 3.976 -5.894 2.035 1.00 23.04 H new ATOM 0 HB3 ARG A 32 2.659 -4.765 1.789 1.00 23.04 H new ATOM 0 HG2 ARG A 32 1.814 -6.808 2.827 1.00 61.11 H new ATOM 0 HG3 ARG A 32 1.130 -6.633 1.223 1.00 61.11 H new ATOM 0 HD2 ARG A 32 2.897 -8.251 0.367 1.00 54.12 H new ATOM 0 HD3 ARG A 32 3.400 -8.505 2.026 1.00 54.12 H new ATOM 0 HE ARG A 32 0.865 -9.419 0.776 1.00 61.33 H new ATOM 0 HH11 ARG A 32 2.826 -9.158 3.721 1.00 13.32 H new ATOM 0 HH12 ARG A 32 1.907 -10.407 4.567 1.00 13.32 H new ATOM 0 HH21 ARG A 32 -0.249 -11.038 1.858 1.00 22.14 H new ATOM 0 HH22 ARG A 32 0.179 -11.462 3.518 1.00 22.14 H new ATOM 529 N THR A 33 1.583 -6.489 -1.324 1.00 72.22 N ATOM 530 CA THR A 33 0.309 -6.498 -2.054 1.00 11.42 C ATOM 531 C THR A 33 -0.822 -7.037 -1.145 1.00 60.51 C ATOM 532 O THR A 33 -0.626 -8.016 -0.407 1.00 41.53 O ATOM 533 CB THR A 33 0.433 -7.390 -3.329 1.00 73.43 C ATOM 534 OG1 THR A 33 0.962 -8.675 -2.960 1.00 52.22 O ATOM 535 CG2 THR A 33 1.339 -6.748 -4.395 1.00 73.35 C ATOM 0 H THR A 33 1.951 -7.424 -1.148 1.00 72.22 H new ATOM 0 HA THR A 33 0.067 -5.478 -2.353 1.00 11.42 H new ATOM 0 HB THR A 33 -0.562 -7.498 -3.761 1.00 73.43 H new ATOM 0 HG1 THR A 33 1.040 -9.238 -3.758 1.00 52.22 H new ATOM 0 HG21 THR A 33 1.397 -7.402 -5.265 1.00 73.35 H new ATOM 0 HG22 THR A 33 0.925 -5.785 -4.692 1.00 73.35 H new ATOM 0 HG23 THR A 33 2.338 -6.602 -3.984 1.00 73.35 H new ATOM 543 N ALA A 34 -1.985 -6.372 -1.193 1.00 64.23 N ATOM 544 CA ALA A 34 -3.222 -6.827 -0.541 1.00 34.14 C ATOM 545 C ALA A 34 -4.219 -7.262 -1.623 1.00 33.44 C ATOM 546 O ALA A 34 -4.659 -6.440 -2.441 1.00 20.52 O ATOM 547 CB ALA A 34 -3.813 -5.720 0.344 1.00 24.42 C ATOM 0 H ALA A 34 -2.095 -5.490 -1.693 1.00 64.23 H new ATOM 0 HA ALA A 34 -3.002 -7.674 0.108 1.00 34.14 H new ATOM 0 HB1 ALA A 34 -4.727 -6.080 0.815 1.00 24.42 H new ATOM 0 HB2 ALA A 34 -3.092 -5.446 1.114 1.00 24.42 H new ATOM 0 HB3 ALA A 34 -4.040 -4.847 -0.268 1.00 24.42 H new ATOM 553 N THR A 35 -4.526 -8.569 -1.651 1.00 74.44 N ATOM 554 CA THR A 35 -5.494 -9.154 -2.600 1.00 61.43 C ATOM 555 C THR A 35 -6.678 -9.790 -1.839 1.00 44.22 C ATOM 556 O THR A 35 -7.760 -9.980 -2.406 1.00 74.51 O ATOM 557 CB THR A 35 -4.791 -10.196 -3.555 1.00 40.21 C ATOM 558 OG1 THR A 35 -5.673 -10.570 -4.617 1.00 53.15 O ATOM 559 CG2 THR A 35 -4.307 -11.463 -2.832 1.00 15.24 C ATOM 0 H THR A 35 -4.111 -9.252 -1.017 1.00 74.44 H new ATOM 0 HA THR A 35 -5.889 -8.355 -3.227 1.00 61.43 H new ATOM 0 HB THR A 35 -3.908 -9.693 -3.948 1.00 40.21 H new ATOM 0 HG1 THR A 35 -6.319 -9.850 -4.775 1.00 53.15 H new ATOM 0 HG21 THR A 35 -3.834 -12.133 -3.550 1.00 15.24 H new ATOM 0 HG22 THR A 35 -3.586 -11.189 -2.062 1.00 15.24 H new ATOM 0 HG23 THR A 35 -5.157 -11.966 -2.371 1.00 15.24 H new ATOM 567 N SER A 36 -6.462 -10.089 -0.542 1.00 73.04 N ATOM 568 CA SER A 36 -7.460 -10.732 0.330 1.00 44.22 C ATOM 569 C SER A 36 -7.274 -10.297 1.805 1.00 43.33 C ATOM 570 O SER A 36 -6.265 -9.655 2.167 1.00 4.43 O ATOM 571 CB SER A 36 -7.346 -12.273 0.203 1.00 4.44 C ATOM 572 OG SER A 36 -7.633 -12.720 -1.123 1.00 44.53 O ATOM 0 H SER A 36 -5.581 -9.888 -0.068 1.00 73.04 H new ATOM 0 HA SER A 36 -8.454 -10.416 0.012 1.00 44.22 H new ATOM 0 HB2 SER A 36 -6.340 -12.587 0.482 1.00 4.44 H new ATOM 0 HB3 SER A 36 -8.034 -12.747 0.903 1.00 4.44 H new ATOM 0 HG SER A 36 -7.549 -13.696 -1.165 1.00 44.53 H new ATOM 578 N SER A 37 -8.266 -10.671 2.640 1.00 33.45 N ATOM 579 CA SER A 37 -8.263 -10.444 4.100 1.00 24.02 C ATOM 580 C SER A 37 -7.039 -11.086 4.776 1.00 43.44 C ATOM 581 O SER A 37 -6.530 -10.560 5.774 1.00 34.51 O ATOM 582 CB SER A 37 -9.560 -11.020 4.717 1.00 34.02 C ATOM 583 OG SER A 37 -9.609 -10.849 6.126 1.00 2.41 O ATOM 0 H SER A 37 -9.106 -11.148 2.312 1.00 33.45 H new ATOM 0 HA SER A 37 -8.212 -9.369 4.271 1.00 24.02 H new ATOM 0 HB2 SER A 37 -10.423 -10.532 4.264 1.00 34.02 H new ATOM 0 HB3 SER A 37 -9.633 -12.081 4.479 1.00 34.02 H new ATOM 0 HG SER A 37 -10.445 -11.226 6.472 1.00 2.41 H new ATOM 589 N GLN A 38 -6.581 -12.216 4.201 1.00 23.12 N ATOM 590 CA GLN A 38 -5.403 -12.958 4.674 1.00 30.30 C ATOM 591 C GLN A 38 -4.162 -12.045 4.657 1.00 2.30 C ATOM 592 O GLN A 38 -3.419 -11.970 5.646 1.00 42.24 O ATOM 593 CB GLN A 38 -5.155 -14.217 3.796 1.00 14.12 C ATOM 594 CG GLN A 38 -6.233 -15.330 3.890 1.00 11.45 C ATOM 595 CD GLN A 38 -7.574 -14.974 3.238 1.00 3.43 C ATOM 596 OE1 GLN A 38 -7.772 -15.195 2.046 1.00 5.32 O ATOM 597 NE2 GLN A 38 -8.500 -14.416 4.010 1.00 15.54 N ATOM 0 H GLN A 38 -7.026 -12.641 3.387 1.00 23.12 H new ATOM 0 HA GLN A 38 -5.590 -13.286 5.697 1.00 30.30 H new ATOM 0 HB2 GLN A 38 -5.076 -13.901 2.756 1.00 14.12 H new ATOM 0 HB3 GLN A 38 -4.192 -14.646 4.073 1.00 14.12 H new ATOM 0 HG2 GLN A 38 -5.845 -16.235 3.422 1.00 11.45 H new ATOM 0 HG3 GLN A 38 -6.405 -15.564 4.941 1.00 11.45 H new ATOM 0 HE21 GLN A 38 -8.306 -14.245 4.997 1.00 15.54 H new ATOM 0 HE22 GLN A 38 -9.405 -14.159 3.616 1.00 15.54 H new ATOM 606 N ASP A 39 -3.988 -11.326 3.523 1.00 22.34 N ATOM 607 CA ASP A 39 -2.903 -10.341 3.345 1.00 3.30 C ATOM 608 C ASP A 39 -3.017 -9.212 4.366 1.00 41.52 C ATOM 609 O ASP A 39 -2.079 -8.983 5.116 1.00 42.45 O ATOM 610 CB ASP A 39 -2.917 -9.732 1.918 1.00 42.44 C ATOM 611 CG ASP A 39 -2.846 -10.801 0.835 1.00 1.12 C ATOM 612 OD1 ASP A 39 -1.729 -11.236 0.493 1.00 30.11 O ATOM 613 OD2 ASP A 39 -3.909 -11.235 0.358 1.00 24.40 O ATOM 0 H ASP A 39 -4.596 -11.415 2.709 1.00 22.34 H new ATOM 0 HA ASP A 39 -1.964 -10.874 3.494 1.00 3.30 H new ATOM 0 HB2 ASP A 39 -3.824 -9.143 1.785 1.00 42.44 H new ATOM 0 HB3 ASP A 39 -2.074 -9.049 1.808 1.00 42.44 H new ATOM 618 N ILE A 40 -4.208 -8.562 4.399 1.00 30.24 N ATOM 619 CA ILE A 40 -4.483 -7.371 5.241 1.00 50.22 C ATOM 620 C ILE A 40 -4.073 -7.615 6.704 1.00 42.20 C ATOM 621 O ILE A 40 -3.174 -6.941 7.234 1.00 71.02 O ATOM 622 CB ILE A 40 -6.013 -7.001 5.194 1.00 44.04 C ATOM 623 CG1 ILE A 40 -6.460 -6.693 3.735 1.00 51.54 C ATOM 624 CG2 ILE A 40 -6.351 -5.825 6.152 1.00 23.32 C ATOM 625 CD1 ILE A 40 -7.958 -6.561 3.569 1.00 71.23 C ATOM 0 H ILE A 40 -5.009 -8.852 3.838 1.00 30.24 H new ATOM 0 HA ILE A 40 -3.893 -6.547 4.840 1.00 50.22 H new ATOM 0 HB ILE A 40 -6.575 -7.867 5.544 1.00 44.04 H new ATOM 0 HG12 ILE A 40 -5.985 -5.768 3.407 1.00 51.54 H new ATOM 0 HG13 ILE A 40 -6.100 -7.486 3.080 1.00 51.54 H new ATOM 0 HG21 ILE A 40 -7.416 -5.600 6.090 1.00 23.32 H new ATOM 0 HG22 ILE A 40 -6.098 -6.104 7.175 1.00 23.32 H new ATOM 0 HG23 ILE A 40 -5.777 -4.944 5.864 1.00 23.32 H new ATOM 0 HD11 ILE A 40 -8.191 -6.347 2.526 1.00 71.23 H new ATOM 0 HD12 ILE A 40 -8.440 -7.493 3.864 1.00 71.23 H new ATOM 0 HD13 ILE A 40 -8.323 -5.748 4.197 1.00 71.23 H new ATOM 637 N ARG A 41 -4.696 -8.652 7.301 1.00 24.11 N ATOM 638 CA ARG A 41 -4.480 -9.035 8.701 1.00 22.00 C ATOM 639 C ARG A 41 -2.996 -9.342 8.991 1.00 73.54 C ATOM 640 O ARG A 41 -2.540 -9.101 10.099 1.00 5.50 O ATOM 641 CB ARG A 41 -5.396 -10.244 9.096 1.00 34.14 C ATOM 642 CG ARG A 41 -6.798 -9.846 9.642 1.00 10.13 C ATOM 643 CD ARG A 41 -7.703 -9.118 8.622 1.00 22.23 C ATOM 644 NE ARG A 41 -8.879 -8.520 9.282 1.00 62.22 N ATOM 645 CZ ARG A 41 -10.059 -8.246 8.706 1.00 63.22 C ATOM 646 NH1 ARG A 41 -10.295 -8.527 7.424 1.00 0.41 N ATOM 647 NH2 ARG A 41 -11.004 -7.655 9.428 1.00 23.12 N ATOM 0 H ARG A 41 -5.367 -9.248 6.817 1.00 24.11 H new ATOM 0 HA ARG A 41 -4.757 -8.181 9.320 1.00 22.00 H new ATOM 0 HB2 ARG A 41 -5.529 -10.882 8.222 1.00 34.14 H new ATOM 0 HB3 ARG A 41 -4.883 -10.840 9.851 1.00 34.14 H new ATOM 0 HG2 ARG A 41 -7.309 -10.746 9.984 1.00 10.13 H new ATOM 0 HG3 ARG A 41 -6.665 -9.204 10.513 1.00 10.13 H new ATOM 0 HD2 ARG A 41 -7.132 -8.340 8.116 1.00 22.23 H new ATOM 0 HD3 ARG A 41 -8.031 -9.821 7.856 1.00 22.23 H new ATOM 0 HE ARG A 41 -8.786 -8.293 10.272 1.00 62.22 H new ATOM 0 HH11 ARG A 41 -9.568 -8.962 6.855 1.00 0.41 H new ATOM 0 HH12 ARG A 41 -11.202 -8.307 7.012 1.00 0.41 H new ATOM 0 HH21 ARG A 41 -10.826 -7.417 10.404 1.00 23.12 H new ATOM 0 HH22 ARG A 41 -11.907 -7.439 9.007 1.00 23.12 H new ATOM 661 N ASP A 42 -2.256 -9.852 7.982 1.00 63.41 N ATOM 662 CA ASP A 42 -0.810 -10.154 8.102 1.00 64.41 C ATOM 663 C ASP A 42 0.058 -8.872 7.991 1.00 14.44 C ATOM 664 O ASP A 42 1.100 -8.759 8.656 1.00 31.21 O ATOM 665 CB ASP A 42 -0.397 -11.179 7.009 1.00 51.52 C ATOM 666 CG ASP A 42 1.070 -11.634 7.104 1.00 60.34 C ATOM 667 OD1 ASP A 42 1.456 -12.218 8.142 1.00 43.15 O ATOM 668 OD2 ASP A 42 1.853 -11.404 6.159 1.00 23.31 O ATOM 0 H ASP A 42 -2.642 -10.066 7.063 1.00 63.41 H new ATOM 0 HA ASP A 42 -0.636 -10.581 9.090 1.00 64.41 H new ATOM 0 HB2 ASP A 42 -1.044 -12.053 7.082 1.00 51.52 H new ATOM 0 HB3 ASP A 42 -0.567 -10.737 6.027 1.00 51.52 H new ATOM 673 N ILE A 43 -0.387 -7.919 7.142 1.00 15.04 N ATOM 674 CA ILE A 43 0.321 -6.641 6.879 1.00 41.21 C ATOM 675 C ILE A 43 0.434 -5.816 8.168 1.00 44.42 C ATOM 676 O ILE A 43 1.527 -5.446 8.628 1.00 42.03 O ATOM 677 CB ILE A 43 -0.462 -5.821 5.768 1.00 3.23 C ATOM 678 CG1 ILE A 43 -0.370 -6.528 4.384 1.00 12.04 C ATOM 679 CG2 ILE A 43 0.016 -4.361 5.664 1.00 63.44 C ATOM 680 CD1 ILE A 43 -1.252 -5.924 3.300 1.00 24.12 C ATOM 0 H ILE A 43 -1.255 -8.014 6.614 1.00 15.04 H new ATOM 0 HA ILE A 43 1.328 -6.858 6.523 1.00 41.21 H new ATOM 0 HB ILE A 43 -1.506 -5.794 6.079 1.00 3.23 H new ATOM 0 HG12 ILE A 43 0.666 -6.502 4.046 1.00 12.04 H new ATOM 0 HG13 ILE A 43 -0.638 -7.577 4.509 1.00 12.04 H new ATOM 0 HG21 ILE A 43 -0.553 -3.846 4.889 1.00 63.44 H new ATOM 0 HG22 ILE A 43 -0.136 -3.859 6.620 1.00 63.44 H new ATOM 0 HG23 ILE A 43 1.076 -4.342 5.409 1.00 63.44 H new ATOM 0 HD11 ILE A 43 -1.122 -6.481 2.372 1.00 24.12 H new ATOM 0 HD12 ILE A 43 -2.296 -5.975 3.610 1.00 24.12 H new ATOM 0 HD13 ILE A 43 -0.971 -4.883 3.140 1.00 24.12 H new ATOM 692 N ILE A 44 -0.728 -5.573 8.758 1.00 41.24 N ATOM 693 CA ILE A 44 -0.876 -4.733 9.935 1.00 51.22 C ATOM 694 C ILE A 44 -0.436 -5.491 11.206 1.00 42.14 C ATOM 695 O ILE A 44 -0.037 -4.869 12.192 1.00 41.30 O ATOM 696 CB ILE A 44 -2.345 -4.198 9.983 1.00 55.11 C ATOM 697 CG1 ILE A 44 -2.617 -3.391 8.660 1.00 64.43 C ATOM 698 CG2 ILE A 44 -2.601 -3.347 11.243 1.00 64.35 C ATOM 699 CD1 ILE A 44 -4.046 -2.973 8.436 1.00 2.23 C ATOM 0 H ILE A 44 -1.610 -5.962 8.425 1.00 41.24 H new ATOM 0 HA ILE A 44 -0.217 -3.866 9.882 1.00 51.22 H new ATOM 0 HB ILE A 44 -3.040 -5.035 10.046 1.00 55.11 H new ATOM 0 HG12 ILE A 44 -1.992 -2.498 8.665 1.00 64.43 H new ATOM 0 HG13 ILE A 44 -2.298 -3.998 7.813 1.00 64.43 H new ATOM 0 HG21 ILE A 44 -3.632 -2.994 11.240 1.00 64.35 H new ATOM 0 HG22 ILE A 44 -2.427 -3.953 12.133 1.00 64.35 H new ATOM 0 HG23 ILE A 44 -1.925 -2.492 11.248 1.00 64.35 H new ATOM 0 HD11 ILE A 44 -4.122 -2.424 7.497 1.00 2.23 H new ATOM 0 HD12 ILE A 44 -4.681 -3.858 8.391 1.00 2.23 H new ATOM 0 HD13 ILE A 44 -4.371 -2.334 9.257 1.00 2.23 H new ATOM 711 N LYS A 45 -0.460 -6.844 11.135 1.00 22.32 N ATOM 712 CA LYS A 45 0.160 -7.722 12.159 1.00 63.50 C ATOM 713 C LYS A 45 1.658 -7.390 12.307 1.00 34.14 C ATOM 714 O LYS A 45 2.215 -7.444 13.407 1.00 51.43 O ATOM 715 CB LYS A 45 -0.025 -9.234 11.781 1.00 51.21 C ATOM 716 CG LYS A 45 -0.837 -10.073 12.788 1.00 63.25 C ATOM 717 CD LYS A 45 -0.157 -10.248 14.168 1.00 45.42 C ATOM 718 CE LYS A 45 1.133 -11.092 14.137 1.00 52.43 C ATOM 719 NZ LYS A 45 2.312 -10.366 13.581 1.00 5.12 N ATOM 0 H LYS A 45 -0.906 -7.355 10.373 1.00 22.32 H new ATOM 0 HA LYS A 45 -0.338 -7.543 13.112 1.00 63.50 H new ATOM 0 HB2 LYS A 45 -0.514 -9.291 10.809 1.00 51.21 H new ATOM 0 HB3 LYS A 45 0.960 -9.686 11.669 1.00 51.21 H new ATOM 0 HG2 LYS A 45 -1.810 -9.603 12.933 1.00 63.25 H new ATOM 0 HG3 LYS A 45 -1.019 -11.058 12.358 1.00 63.25 H new ATOM 0 HD2 LYS A 45 0.077 -9.263 14.572 1.00 45.42 H new ATOM 0 HD3 LYS A 45 -0.866 -10.714 14.853 1.00 45.42 H new ATOM 0 HE2 LYS A 45 1.365 -11.422 15.150 1.00 52.43 H new ATOM 0 HE3 LYS A 45 0.956 -11.988 13.542 1.00 52.43 H new ATOM 0 HZ1 LYS A 45 3.179 -10.704 14.046 1.00 5.12 H new ATOM 0 HZ2 LYS A 45 2.377 -10.541 12.558 1.00 5.12 H new ATOM 0 HZ3 LYS A 45 2.203 -9.346 13.751 1.00 5.12 H new ATOM 733 N SER A 46 2.297 -7.069 11.169 1.00 33.54 N ATOM 734 CA SER A 46 3.695 -6.631 11.127 1.00 11.32 C ATOM 735 C SER A 46 3.800 -5.170 11.606 1.00 71.44 C ATOM 736 O SER A 46 4.711 -4.828 12.367 1.00 74.30 O ATOM 737 CB SER A 46 4.247 -6.787 9.692 1.00 33.03 C ATOM 738 OG SER A 46 4.036 -8.110 9.215 1.00 35.50 O ATOM 0 H SER A 46 1.853 -7.108 10.251 1.00 33.54 H new ATOM 0 HA SER A 46 4.293 -7.252 11.794 1.00 11.32 H new ATOM 0 HB2 SER A 46 3.758 -6.073 9.029 1.00 33.03 H new ATOM 0 HB3 SER A 46 5.312 -6.556 9.679 1.00 33.03 H new ATOM 0 HG SER A 46 3.079 -8.253 9.058 1.00 35.50 H new ATOM 744 N MET A 47 2.818 -4.322 11.193 1.00 22.12 N ATOM 745 CA MET A 47 2.825 -2.869 11.508 1.00 54.01 C ATOM 746 C MET A 47 2.525 -2.595 12.997 1.00 51.40 C ATOM 747 O MET A 47 2.699 -1.462 13.457 1.00 12.04 O ATOM 748 CB MET A 47 1.843 -2.078 10.599 1.00 25.13 C ATOM 749 CG MET A 47 2.197 -2.129 9.108 1.00 2.43 C ATOM 750 SD MET A 47 3.876 -1.542 8.755 1.00 32.43 S ATOM 751 CE MET A 47 3.799 0.191 9.226 1.00 11.30 C ATOM 0 H MET A 47 2.013 -4.621 10.642 1.00 22.12 H new ATOM 0 HA MET A 47 3.836 -2.515 11.304 1.00 54.01 H new ATOM 0 HB2 MET A 47 0.837 -2.474 10.737 1.00 25.13 H new ATOM 0 HB3 MET A 47 1.823 -1.037 10.922 1.00 25.13 H new ATOM 0 HG2 MET A 47 2.094 -3.154 8.751 1.00 2.43 H new ATOM 0 HG3 MET A 47 1.482 -1.524 8.550 1.00 2.43 H new ATOM 0 HE1 MET A 47 4.611 0.735 8.744 1.00 11.30 H new ATOM 0 HE2 MET A 47 2.844 0.611 8.911 1.00 11.30 H new ATOM 0 HE3 MET A 47 3.895 0.279 10.308 1.00 11.30 H new ATOM 761 N LYS A 48 2.055 -3.634 13.724 1.00 14.32 N ATOM 762 CA LYS A 48 1.889 -3.597 15.200 1.00 72.01 C ATOM 763 C LYS A 48 3.204 -3.215 15.900 1.00 11.45 C ATOM 764 O LYS A 48 3.203 -2.514 16.911 1.00 33.45 O ATOM 765 CB LYS A 48 1.417 -4.982 15.737 1.00 34.41 C ATOM 766 CG LYS A 48 -0.049 -5.343 15.432 1.00 32.30 C ATOM 767 CD LYS A 48 -0.391 -6.788 15.870 1.00 42.22 C ATOM 768 CE LYS A 48 -1.882 -7.123 15.750 1.00 35.11 C ATOM 769 NZ LYS A 48 -2.701 -6.349 16.711 1.00 40.34 N ATOM 0 H LYS A 48 1.779 -4.523 13.307 1.00 14.32 H new ATOM 0 HA LYS A 48 1.135 -2.841 15.420 1.00 72.01 H new ATOM 0 HB2 LYS A 48 2.059 -5.755 15.315 1.00 34.41 H new ATOM 0 HB3 LYS A 48 1.562 -5.003 16.817 1.00 34.41 H new ATOM 0 HG2 LYS A 48 -0.709 -4.643 15.944 1.00 32.30 H new ATOM 0 HG3 LYS A 48 -0.235 -5.234 14.364 1.00 32.30 H new ATOM 0 HD2 LYS A 48 0.181 -7.489 15.263 1.00 42.22 H new ATOM 0 HD3 LYS A 48 -0.076 -6.931 16.904 1.00 42.22 H new ATOM 0 HE2 LYS A 48 -2.220 -6.915 14.735 1.00 35.11 H new ATOM 0 HE3 LYS A 48 -2.030 -8.189 15.923 1.00 35.11 H new ATOM 0 HZ1 LYS A 48 -3.574 -6.030 16.245 1.00 40.34 H new ATOM 0 HZ2 LYS A 48 -2.943 -6.950 17.524 1.00 40.34 H new ATOM 0 HZ3 LYS A 48 -2.162 -5.523 17.040 1.00 40.34 H new ATOM 816 N LYS A 52 8.025 2.088 11.076 1.00 60.21 N ATOM 817 CA LYS A 52 8.605 2.356 9.751 1.00 43.24 C ATOM 818 C LYS A 52 7.492 2.757 8.754 1.00 3.02 C ATOM 819 O LYS A 52 6.304 2.715 9.107 1.00 2.13 O ATOM 820 CB LYS A 52 9.322 1.066 9.269 1.00 75.33 C ATOM 821 CG LYS A 52 10.476 0.571 10.175 1.00 33.11 C ATOM 822 CD LYS A 52 11.072 -0.767 9.676 1.00 11.22 C ATOM 823 CE LYS A 52 10.002 -1.864 9.570 1.00 61.21 C ATOM 824 NZ LYS A 52 10.562 -3.160 9.116 1.00 54.24 N ATOM 0 HA LYS A 52 9.317 3.179 9.810 1.00 43.24 H new ATOM 0 HB2 LYS A 52 8.583 0.270 9.183 1.00 75.33 H new ATOM 0 HB3 LYS A 52 9.718 1.242 8.269 1.00 75.33 H new ATOM 0 HG2 LYS A 52 11.260 1.327 10.208 1.00 33.11 H new ATOM 0 HG3 LYS A 52 10.109 0.447 11.194 1.00 33.11 H new ATOM 0 HD2 LYS A 52 11.536 -0.617 8.701 1.00 11.22 H new ATOM 0 HD3 LYS A 52 11.859 -1.091 10.357 1.00 11.22 H new ATOM 0 HE2 LYS A 52 9.526 -1.998 10.541 1.00 61.21 H new ATOM 0 HE3 LYS A 52 9.225 -1.544 8.875 1.00 61.21 H new ATOM 0 HZ1 LYS A 52 9.801 -3.867 9.061 1.00 54.24 H new ATOM 0 HZ2 LYS A 52 10.994 -3.042 8.177 1.00 54.24 H new ATOM 0 HZ3 LYS A 52 11.285 -3.482 9.791 1.00 54.24 H new ATOM 838 N PRO A 53 7.849 3.182 7.494 1.00 13.13 N ATOM 839 CA PRO A 53 6.869 3.304 6.400 1.00 31.12 C ATOM 840 C PRO A 53 6.488 1.931 5.825 1.00 61.32 C ATOM 841 O PRO A 53 7.100 0.903 6.155 1.00 43.42 O ATOM 842 CB PRO A 53 7.604 4.161 5.347 1.00 13.50 C ATOM 843 CG PRO A 53 9.036 3.809 5.540 1.00 43.41 C ATOM 844 CD PRO A 53 9.204 3.626 7.039 1.00 43.40 C ATOM 0 HA PRO A 53 5.930 3.747 6.730 1.00 31.12 H new ATOM 0 HB2 PRO A 53 7.268 3.929 4.337 1.00 13.50 H new ATOM 0 HB3 PRO A 53 7.429 5.225 5.504 1.00 13.50 H new ATOM 0 HG2 PRO A 53 9.293 2.897 5.001 1.00 43.41 H new ATOM 0 HG3 PRO A 53 9.689 4.597 5.164 1.00 43.41 H new ATOM 0 HD2 PRO A 53 9.967 2.883 7.269 1.00 43.40 H new ATOM 0 HD3 PRO A 53 9.506 4.554 7.525 1.00 43.40 H new ATOM 852 N LEU A 54 5.474 1.934 4.969 1.00 64.34 N ATOM 853 CA LEU A 54 5.042 0.742 4.241 1.00 5.24 C ATOM 854 C LEU A 54 4.300 1.200 2.974 1.00 71.32 C ATOM 855 O LEU A 54 3.893 2.356 2.877 1.00 13.01 O ATOM 856 CB LEU A 54 4.131 -0.146 5.140 1.00 22.14 C ATOM 857 CG LEU A 54 4.001 -1.640 4.709 1.00 63.51 C ATOM 858 CD1 LEU A 54 5.308 -2.412 4.971 1.00 4.25 C ATOM 859 CD2 LEU A 54 2.807 -2.316 5.392 1.00 52.13 C ATOM 0 H LEU A 54 4.924 2.766 4.757 1.00 64.34 H new ATOM 0 HA LEU A 54 5.903 0.136 3.961 1.00 5.24 H new ATOM 0 HB2 LEU A 54 4.516 -0.114 6.159 1.00 22.14 H new ATOM 0 HB3 LEU A 54 3.134 0.294 5.162 1.00 22.14 H new ATOM 0 HG LEU A 54 3.817 -1.658 3.635 1.00 63.51 H new ATOM 0 HD11 LEU A 54 5.186 -3.450 4.661 1.00 4.25 H new ATOM 0 HD12 LEU A 54 6.120 -1.956 4.404 1.00 4.25 H new ATOM 0 HD13 LEU A 54 5.544 -2.377 6.034 1.00 4.25 H new ATOM 0 HD21 LEU A 54 2.745 -3.356 5.070 1.00 52.13 H new ATOM 0 HD22 LEU A 54 2.937 -2.278 6.474 1.00 52.13 H new ATOM 0 HD23 LEU A 54 1.889 -1.796 5.118 1.00 52.13 H new ATOM 871 N VAL A 55 4.128 0.289 2.018 1.00 74.11 N ATOM 872 CA VAL A 55 3.457 0.561 0.737 1.00 25.05 C ATOM 873 C VAL A 55 2.615 -0.670 0.393 1.00 33.21 C ATOM 874 O VAL A 55 3.164 -1.728 0.074 1.00 11.40 O ATOM 875 CB VAL A 55 4.465 0.861 -0.448 1.00 1.12 C ATOM 876 CG1 VAL A 55 3.708 1.090 -1.773 1.00 74.40 C ATOM 877 CG2 VAL A 55 5.392 2.061 -0.130 1.00 1.40 C ATOM 0 H VAL A 55 4.453 -0.674 2.107 1.00 74.11 H new ATOM 0 HA VAL A 55 2.849 1.458 0.852 1.00 25.05 H new ATOM 0 HB VAL A 55 5.099 -0.019 -0.561 1.00 1.12 H new ATOM 0 HG11 VAL A 55 4.423 1.294 -2.570 1.00 74.40 H new ATOM 0 HG12 VAL A 55 3.132 0.199 -2.022 1.00 74.40 H new ATOM 0 HG13 VAL A 55 3.034 1.939 -1.665 1.00 74.40 H new ATOM 0 HG21 VAL A 55 6.067 2.232 -0.969 1.00 1.40 H new ATOM 0 HG22 VAL A 55 4.788 2.953 0.037 1.00 1.40 H new ATOM 0 HG23 VAL A 55 5.974 1.844 0.765 1.00 1.40 H new ATOM 887 N VAL A 56 1.289 -0.538 0.507 1.00 74.51 N ATOM 888 CA VAL A 56 0.350 -1.628 0.217 1.00 45.34 C ATOM 889 C VAL A 56 -0.370 -1.362 -1.115 1.00 33.13 C ATOM 890 O VAL A 56 -1.197 -0.451 -1.220 1.00 35.04 O ATOM 891 CB VAL A 56 -0.677 -1.823 1.395 1.00 65.31 C ATOM 892 CG1 VAL A 56 -1.768 -2.861 1.046 1.00 51.14 C ATOM 893 CG2 VAL A 56 0.066 -2.221 2.688 1.00 22.13 C ATOM 0 H VAL A 56 0.836 0.327 0.803 1.00 74.51 H new ATOM 0 HA VAL A 56 0.913 -2.556 0.124 1.00 45.34 H new ATOM 0 HB VAL A 56 -1.183 -0.871 1.556 1.00 65.31 H new ATOM 0 HG11 VAL A 56 -2.454 -2.964 1.886 1.00 51.14 H new ATOM 0 HG12 VAL A 56 -2.319 -2.528 0.166 1.00 51.14 H new ATOM 0 HG13 VAL A 56 -1.301 -3.824 0.839 1.00 51.14 H new ATOM 0 HG21 VAL A 56 -0.654 -2.353 3.495 1.00 22.13 H new ATOM 0 HG22 VAL A 56 0.604 -3.155 2.526 1.00 22.13 H new ATOM 0 HG23 VAL A 56 0.773 -1.437 2.957 1.00 22.13 H new ATOM 903 N PHE A 57 -0.018 -2.164 -2.126 1.00 42.51 N ATOM 904 CA PHE A 57 -0.646 -2.142 -3.446 1.00 61.34 C ATOM 905 C PHE A 57 -1.935 -2.983 -3.408 1.00 51.13 C ATOM 906 O PHE A 57 -1.874 -4.196 -3.175 1.00 15.21 O ATOM 907 CB PHE A 57 0.344 -2.720 -4.500 1.00 11.32 C ATOM 908 CG PHE A 57 1.572 -1.845 -4.761 1.00 43.34 C ATOM 909 CD1 PHE A 57 1.458 -0.694 -5.538 1.00 43.22 C ATOM 910 CD2 PHE A 57 2.829 -2.165 -4.238 1.00 72.45 C ATOM 911 CE1 PHE A 57 2.551 0.113 -5.778 1.00 44.21 C ATOM 912 CE2 PHE A 57 3.926 -1.353 -4.487 1.00 40.31 C ATOM 913 CZ PHE A 57 3.783 -0.215 -5.253 1.00 35.03 C ATOM 0 H PHE A 57 0.725 -2.858 -2.045 1.00 42.51 H new ATOM 0 HA PHE A 57 -0.897 -1.118 -3.721 1.00 61.34 H new ATOM 0 HB2 PHE A 57 0.678 -3.703 -4.167 1.00 11.32 H new ATOM 0 HB3 PHE A 57 -0.189 -2.866 -5.439 1.00 11.32 H new ATOM 0 HD1 PHE A 57 0.499 -0.429 -5.959 1.00 43.22 H new ATOM 0 HD2 PHE A 57 2.947 -3.053 -3.634 1.00 72.45 H new ATOM 0 HE1 PHE A 57 2.441 1.004 -6.379 1.00 44.21 H new ATOM 0 HE2 PHE A 57 4.893 -1.612 -4.081 1.00 40.31 H new ATOM 0 HZ PHE A 57 4.636 0.419 -5.442 1.00 35.03 H new ATOM 923 N VAL A 58 -3.095 -2.337 -3.630 1.00 15.32 N ATOM 924 CA VAL A 58 -4.396 -3.033 -3.669 1.00 25.02 C ATOM 925 C VAL A 58 -4.519 -3.759 -5.027 1.00 12.33 C ATOM 926 O VAL A 58 -5.084 -3.241 -5.996 1.00 23.45 O ATOM 927 CB VAL A 58 -5.599 -2.030 -3.438 1.00 50.15 C ATOM 928 CG1 VAL A 58 -6.969 -2.751 -3.443 1.00 41.05 C ATOM 929 CG2 VAL A 58 -5.399 -1.228 -2.134 1.00 62.24 C ATOM 0 H VAL A 58 -3.158 -1.331 -3.786 1.00 15.32 H new ATOM 0 HA VAL A 58 -4.444 -3.761 -2.859 1.00 25.02 H new ATOM 0 HB VAL A 58 -5.604 -1.332 -4.275 1.00 50.15 H new ATOM 0 HG11 VAL A 58 -7.764 -2.023 -3.281 1.00 41.05 H new ATOM 0 HG12 VAL A 58 -7.118 -3.243 -4.404 1.00 41.05 H new ATOM 0 HG13 VAL A 58 -6.991 -3.496 -2.647 1.00 41.05 H new ATOM 0 HG21 VAL A 58 -6.237 -0.545 -1.995 1.00 62.24 H new ATOM 0 HG22 VAL A 58 -5.346 -1.915 -1.289 1.00 62.24 H new ATOM 0 HG23 VAL A 58 -4.472 -0.657 -2.196 1.00 62.24 H new ATOM 939 N ASN A 59 -3.924 -4.957 -5.090 1.00 24.44 N ATOM 940 CA ASN A 59 -3.773 -5.728 -6.334 1.00 64.13 C ATOM 941 C ASN A 59 -4.832 -6.840 -6.399 1.00 0.13 C ATOM 942 O ASN A 59 -4.696 -7.860 -5.724 1.00 51.50 O ATOM 943 CB ASN A 59 -2.328 -6.317 -6.387 1.00 13.41 C ATOM 944 CG ASN A 59 -1.960 -7.004 -7.717 1.00 34.44 C ATOM 945 OD1 ASN A 59 -2.809 -7.514 -8.444 1.00 33.12 O ATOM 946 ND2 ASN A 59 -0.678 -7.054 -8.024 1.00 24.44 N ATOM 0 H ASN A 59 -3.530 -5.424 -4.273 1.00 24.44 H new ATOM 0 HA ASN A 59 -3.923 -5.080 -7.198 1.00 64.13 H new ATOM 0 HB2 ASN A 59 -1.616 -5.513 -6.200 1.00 13.41 H new ATOM 0 HB3 ASN A 59 -2.215 -7.038 -5.578 1.00 13.41 H new ATOM 0 HD21 ASN A 59 -0.376 -7.522 -8.878 1.00 24.44 H new ATOM 0 HD22 ASN A 59 0.011 -6.624 -7.407 1.00 24.44 H new ATOM 953 N GLY A 60 -5.884 -6.617 -7.214 1.00 54.23 N ATOM 954 CA GLY A 60 -6.937 -7.615 -7.431 1.00 33.34 C ATOM 955 C GLY A 60 -7.743 -7.880 -6.164 1.00 21.43 C ATOM 956 O GLY A 60 -7.855 -9.025 -5.709 1.00 61.52 O ATOM 0 H GLY A 60 -6.021 -5.749 -7.732 1.00 54.23 H new ATOM 0 HA2 GLY A 60 -7.605 -7.271 -8.220 1.00 33.34 H new ATOM 0 HA3 GLY A 60 -6.488 -8.546 -7.777 1.00 33.34 H new ATOM 960 N ALA A 61 -8.284 -6.799 -5.594 1.00 72.22 N ATOM 961 CA ALA A 61 -9.045 -6.833 -4.330 1.00 1.33 C ATOM 962 C ALA A 61 -10.342 -6.023 -4.476 1.00 33.41 C ATOM 963 O ALA A 61 -10.629 -5.479 -5.549 1.00 51.50 O ATOM 964 CB ALA A 61 -8.166 -6.306 -3.178 1.00 32.03 C ATOM 0 H ALA A 61 -8.208 -5.865 -5.996 1.00 72.22 H new ATOM 0 HA ALA A 61 -9.323 -7.860 -4.095 1.00 1.33 H new ATOM 0 HB1 ALA A 61 -8.732 -6.333 -2.247 1.00 32.03 H new ATOM 0 HB2 ALA A 61 -7.279 -6.932 -3.082 1.00 32.03 H new ATOM 0 HB3 ALA A 61 -7.865 -5.280 -3.390 1.00 32.03 H new ATOM 970 N SER A 62 -11.115 -5.942 -3.387 1.00 45.34 N ATOM 971 CA SER A 62 -12.438 -5.297 -3.365 1.00 72.32 C ATOM 972 C SER A 62 -12.420 -4.057 -2.436 1.00 24.45 C ATOM 973 O SER A 62 -11.440 -3.815 -1.701 1.00 5.12 O ATOM 974 CB SER A 62 -13.489 -6.337 -2.884 1.00 70.11 C ATOM 975 OG SER A 62 -14.795 -5.786 -2.804 1.00 13.21 O ATOM 0 H SER A 62 -10.838 -6.327 -2.484 1.00 45.34 H new ATOM 0 HA SER A 62 -12.700 -4.954 -4.366 1.00 72.32 H new ATOM 0 HB2 SER A 62 -13.496 -7.186 -3.568 1.00 70.11 H new ATOM 0 HB3 SER A 62 -13.198 -6.719 -1.906 1.00 70.11 H new ATOM 0 HG SER A 62 -15.422 -6.475 -2.500 1.00 13.21 H new ATOM 981 N GLN A 63 -13.522 -3.273 -2.481 1.00 3.25 N ATOM 982 CA GLN A 63 -13.752 -2.140 -1.567 1.00 14.55 C ATOM 983 C GLN A 63 -13.894 -2.637 -0.114 1.00 54.44 C ATOM 984 O GLN A 63 -13.557 -1.914 0.832 1.00 3.21 O ATOM 985 CB GLN A 63 -15.006 -1.321 -1.999 1.00 23.20 C ATOM 986 CG GLN A 63 -15.272 -0.062 -1.136 1.00 10.22 C ATOM 987 CD GLN A 63 -14.089 0.913 -1.106 1.00 5.54 C ATOM 988 OE1 GLN A 63 -13.344 1.037 -2.075 1.00 50.24 O ATOM 989 NE2 GLN A 63 -13.888 1.584 0.013 1.00 15.35 N ATOM 0 H GLN A 63 -14.275 -3.412 -3.155 1.00 3.25 H new ATOM 0 HA GLN A 63 -12.887 -1.479 -1.619 1.00 14.55 H new ATOM 0 HB2 GLN A 63 -14.886 -1.016 -3.039 1.00 23.20 H new ATOM 0 HB3 GLN A 63 -15.882 -1.969 -1.956 1.00 23.20 H new ATOM 0 HG2 GLN A 63 -16.151 0.455 -1.521 1.00 10.22 H new ATOM 0 HG3 GLN A 63 -15.505 -0.371 -0.117 1.00 10.22 H new ATOM 0 HE21 GLN A 63 -14.523 1.462 0.802 1.00 15.35 H new ATOM 0 HE22 GLN A 63 -13.098 2.225 0.088 1.00 15.35 H new ATOM 998 N ASN A 64 -14.390 -3.886 0.034 1.00 34.03 N ATOM 999 CA ASN A 64 -14.385 -4.621 1.315 1.00 70.31 C ATOM 1000 C ASN A 64 -12.969 -4.622 1.917 1.00 1.42 C ATOM 1001 O ASN A 64 -12.784 -4.203 3.053 1.00 21.41 O ATOM 1002 CB ASN A 64 -14.901 -6.077 1.108 1.00 11.22 C ATOM 1003 CG ASN A 64 -14.888 -6.931 2.391 1.00 10.04 C ATOM 1004 OD1 ASN A 64 -14.961 -6.418 3.510 1.00 3.24 O ATOM 1005 ND2 ASN A 64 -14.849 -8.242 2.235 1.00 44.52 N ATOM 0 H ASN A 64 -14.806 -4.412 -0.735 1.00 34.03 H new ATOM 0 HA ASN A 64 -15.056 -4.120 2.013 1.00 70.31 H new ATOM 0 HB2 ASN A 64 -15.918 -6.040 0.718 1.00 11.22 H new ATOM 0 HB3 ASN A 64 -14.287 -6.566 0.351 1.00 11.22 H new ATOM 0 HD21 ASN A 64 -14.879 -8.854 3.051 1.00 44.52 H new ATOM 0 HD22 ASN A 64 -14.789 -8.643 1.299 1.00 44.52 H new ATOM 1012 N ASP A 65 -11.975 -4.988 1.087 1.00 51.15 N ATOM 1013 CA ASP A 65 -10.564 -5.101 1.510 1.00 60.22 C ATOM 1014 C ASP A 65 -9.981 -3.729 1.896 1.00 43.51 C ATOM 1015 O ASP A 65 -9.216 -3.622 2.866 1.00 73.30 O ATOM 1016 CB ASP A 65 -9.694 -5.728 0.394 1.00 64.12 C ATOM 1017 CG ASP A 65 -10.096 -7.168 0.060 1.00 52.32 C ATOM 1018 OD1 ASP A 65 -11.035 -7.353 -0.738 1.00 14.44 O ATOM 1019 OD2 ASP A 65 -9.500 -8.112 0.607 1.00 73.00 O ATOM 0 H ASP A 65 -12.126 -5.214 0.104 1.00 51.15 H new ATOM 0 HA ASP A 65 -10.547 -5.751 2.385 1.00 60.22 H new ATOM 0 HB2 ASP A 65 -9.771 -5.117 -0.505 1.00 64.12 H new ATOM 0 HB3 ASP A 65 -8.649 -5.711 0.703 1.00 64.12 H new ATOM 1024 N VAL A 66 -10.349 -2.692 1.119 1.00 2.14 N ATOM 1025 CA VAL A 66 -9.966 -1.295 1.411 1.00 5.43 C ATOM 1026 C VAL A 66 -10.450 -0.889 2.825 1.00 74.33 C ATOM 1027 O VAL A 66 -9.660 -0.404 3.642 1.00 3.22 O ATOM 1028 CB VAL A 66 -10.542 -0.292 0.332 1.00 32.23 C ATOM 1029 CG1 VAL A 66 -10.231 1.181 0.694 1.00 50.15 C ATOM 1030 CG2 VAL A 66 -10.012 -0.645 -1.081 1.00 13.30 C ATOM 0 H VAL A 66 -10.916 -2.796 0.277 1.00 2.14 H new ATOM 0 HA VAL A 66 -8.878 -1.238 1.372 1.00 5.43 H new ATOM 0 HB VAL A 66 -11.627 -0.399 0.327 1.00 32.23 H new ATOM 0 HG11 VAL A 66 -10.643 1.839 -0.071 1.00 50.15 H new ATOM 0 HG12 VAL A 66 -10.679 1.421 1.658 1.00 50.15 H new ATOM 0 HG13 VAL A 66 -9.152 1.322 0.750 1.00 50.15 H new ATOM 0 HG21 VAL A 66 -10.420 0.057 -1.808 1.00 13.30 H new ATOM 0 HG22 VAL A 66 -8.924 -0.583 -1.087 1.00 13.30 H new ATOM 0 HG23 VAL A 66 -10.319 -1.658 -1.342 1.00 13.30 H new ATOM 1040 N ASN A 67 -11.739 -1.161 3.107 1.00 32.34 N ATOM 1041 CA ASN A 67 -12.396 -0.794 4.383 1.00 52.20 C ATOM 1042 C ASN A 67 -11.811 -1.574 5.575 1.00 53.12 C ATOM 1043 O ASN A 67 -11.610 -1.000 6.655 1.00 52.24 O ATOM 1044 CB ASN A 67 -13.931 -1.019 4.286 1.00 63.21 C ATOM 1045 CG ASN A 67 -14.611 -0.110 3.250 1.00 12.10 C ATOM 1046 OD1 ASN A 67 -14.176 1.015 2.999 1.00 23.31 O ATOM 1047 ND2 ASN A 67 -15.684 -0.596 2.647 1.00 74.03 N ATOM 0 H ASN A 67 -12.359 -1.643 2.456 1.00 32.34 H new ATOM 0 HA ASN A 67 -12.203 0.264 4.559 1.00 52.20 H new ATOM 0 HB2 ASN A 67 -14.124 -2.060 4.028 1.00 63.21 H new ATOM 0 HB3 ASN A 67 -14.380 -0.844 5.264 1.00 63.21 H new ATOM 0 HD21 ASN A 67 -16.176 -0.035 1.952 1.00 74.03 H new ATOM 0 HD22 ASN A 67 -16.019 -1.532 2.877 1.00 74.03 H new ATOM 1054 N GLU A 68 -11.507 -2.872 5.354 1.00 15.23 N ATOM 1055 CA GLU A 68 -10.921 -3.738 6.393 1.00 44.50 C ATOM 1056 C GLU A 68 -9.521 -3.254 6.775 1.00 1.40 C ATOM 1057 O GLU A 68 -9.194 -3.194 7.957 1.00 30.24 O ATOM 1058 CB GLU A 68 -10.849 -5.221 5.941 1.00 52.24 C ATOM 1059 CG GLU A 68 -12.206 -5.861 5.610 1.00 5.13 C ATOM 1060 CD GLU A 68 -13.247 -5.713 6.731 1.00 1.13 C ATOM 1061 OE1 GLU A 68 -13.121 -6.409 7.759 1.00 50.01 O ATOM 1062 OE2 GLU A 68 -14.196 -4.910 6.586 1.00 74.33 O ATOM 0 H GLU A 68 -11.660 -3.341 4.461 1.00 15.23 H new ATOM 0 HA GLU A 68 -11.577 -3.678 7.261 1.00 44.50 H new ATOM 0 HB2 GLU A 68 -10.208 -5.287 5.062 1.00 52.24 H new ATOM 0 HB3 GLU A 68 -10.371 -5.803 6.729 1.00 52.24 H new ATOM 0 HG2 GLU A 68 -12.599 -5.409 4.699 1.00 5.13 H new ATOM 0 HG3 GLU A 68 -12.057 -6.920 5.402 1.00 5.13 H new ATOM 1069 N PHE A 69 -8.723 -2.892 5.750 1.00 25.54 N ATOM 1070 CA PHE A 69 -7.359 -2.367 5.937 1.00 11.13 C ATOM 1071 C PHE A 69 -7.379 -1.115 6.827 1.00 64.30 C ATOM 1072 O PHE A 69 -6.617 -1.019 7.792 1.00 31.12 O ATOM 1073 CB PHE A 69 -6.701 -2.039 4.565 1.00 42.45 C ATOM 1074 CG PHE A 69 -5.256 -1.553 4.677 1.00 0.33 C ATOM 1075 CD1 PHE A 69 -4.207 -2.466 4.747 1.00 65.43 C ATOM 1076 CD2 PHE A 69 -4.949 -0.187 4.732 1.00 21.44 C ATOM 1077 CE1 PHE A 69 -2.907 -2.031 4.883 1.00 14.43 C ATOM 1078 CE2 PHE A 69 -3.645 0.241 4.861 1.00 45.03 C ATOM 1079 CZ PHE A 69 -2.628 -0.682 4.937 1.00 63.42 C ATOM 0 H PHE A 69 -9.007 -2.956 4.772 1.00 25.54 H new ATOM 0 HA PHE A 69 -6.766 -3.137 6.430 1.00 11.13 H new ATOM 0 HB2 PHE A 69 -6.728 -2.930 3.937 1.00 42.45 H new ATOM 0 HB3 PHE A 69 -7.294 -1.276 4.061 1.00 42.45 H new ATOM 0 HD1 PHE A 69 -4.414 -3.525 4.694 1.00 65.43 H new ATOM 0 HD2 PHE A 69 -5.745 0.541 4.673 1.00 21.44 H new ATOM 0 HE1 PHE A 69 -2.103 -2.750 4.948 1.00 14.43 H new ATOM 0 HE2 PHE A 69 -3.423 1.297 4.902 1.00 45.03 H new ATOM 0 HZ PHE A 69 -1.606 -0.348 5.039 1.00 63.42 H new ATOM 1089 N GLN A 70 -8.262 -0.169 6.463 1.00 52.52 N ATOM 1090 CA GLN A 70 -8.495 1.067 7.221 1.00 3.44 C ATOM 1091 C GLN A 70 -8.832 0.785 8.710 1.00 32.35 C ATOM 1092 O GLN A 70 -8.275 1.438 9.594 1.00 14.10 O ATOM 1093 CB GLN A 70 -9.604 1.909 6.530 1.00 1.41 C ATOM 1094 CG GLN A 70 -9.233 2.368 5.099 1.00 33.04 C ATOM 1095 CD GLN A 70 -10.345 3.159 4.404 1.00 35.10 C ATOM 1096 OE1 GLN A 70 -11.243 2.459 3.729 1.00 31.41 O flip ATOM 1097 NE2 GLN A 70 -10.398 4.387 4.482 1.00 32.14 N flip ATOM 0 H GLN A 70 -8.839 -0.244 5.625 1.00 52.52 H new ATOM 0 HA GLN A 70 -7.570 1.644 7.223 1.00 3.44 H new ATOM 0 HB2 GLN A 70 -10.521 1.322 6.488 1.00 1.41 H new ATOM 0 HB3 GLN A 70 -9.816 2.787 7.141 1.00 1.41 H new ATOM 0 HG2 GLN A 70 -8.334 2.983 5.145 1.00 33.04 H new ATOM 0 HG3 GLN A 70 -8.990 1.493 4.497 1.00 33.04 H new ATOM 0 HE21 GLN A 70 -9.689 4.896 5.011 1.00 32.14 H new ATOM 0 HE22 GLN A 70 -11.151 4.895 4.018 1.00 32.14 H new ATOM 1106 N ASN A 71 -9.695 -0.227 8.962 1.00 72.55 N ATOM 1107 CA ASN A 71 -10.118 -0.621 10.338 1.00 53.14 C ATOM 1108 C ASN A 71 -8.949 -1.195 11.160 1.00 25.32 C ATOM 1109 O ASN A 71 -8.630 -0.691 12.251 1.00 42.12 O ATOM 1110 CB ASN A 71 -11.269 -1.657 10.300 1.00 74.52 C ATOM 1111 CG ASN A 71 -12.549 -1.135 9.669 1.00 62.24 C ATOM 1112 OD1 ASN A 71 -12.843 0.059 9.716 1.00 41.42 O ATOM 1113 ND2 ASN A 71 -13.319 -2.029 9.082 1.00 33.21 N ATOM 0 H ASN A 71 -10.118 -0.793 8.227 1.00 72.55 H new ATOM 0 HA ASN A 71 -10.469 0.290 10.822 1.00 53.14 H new ATOM 0 HB2 ASN A 71 -10.935 -2.535 9.747 1.00 74.52 H new ATOM 0 HB3 ASN A 71 -11.484 -1.983 11.317 1.00 74.52 H new ATOM 0 HD21 ASN A 71 -14.194 -1.740 8.645 1.00 33.21 H new ATOM 0 HD22 ASN A 71 -13.040 -3.010 9.064 1.00 33.21 H new ATOM 1120 N GLU A 72 -8.364 -2.283 10.640 1.00 53.22 N ATOM 1121 CA GLU A 72 -7.220 -2.963 11.261 1.00 12.15 C ATOM 1122 C GLU A 72 -6.066 -1.987 11.602 1.00 63.41 C ATOM 1123 O GLU A 72 -5.476 -2.081 12.676 1.00 35.43 O ATOM 1124 CB GLU A 72 -6.711 -4.115 10.356 1.00 21.22 C ATOM 1125 CG GLU A 72 -7.772 -5.152 9.938 1.00 23.40 C ATOM 1126 CD GLU A 72 -8.460 -5.858 11.114 1.00 11.33 C ATOM 1127 OE1 GLU A 72 -7.884 -6.823 11.645 1.00 43.31 O ATOM 1128 OE2 GLU A 72 -9.598 -5.481 11.478 1.00 12.55 O ATOM 0 H GLU A 72 -8.674 -2.718 9.771 1.00 53.22 H new ATOM 0 HA GLU A 72 -7.572 -3.383 12.203 1.00 12.15 H new ATOM 0 HB2 GLU A 72 -6.278 -3.681 9.455 1.00 21.22 H new ATOM 0 HB3 GLU A 72 -5.907 -4.634 10.877 1.00 21.22 H new ATOM 0 HG2 GLU A 72 -8.531 -4.655 9.333 1.00 23.40 H new ATOM 0 HG3 GLU A 72 -7.300 -5.903 9.304 1.00 23.40 H new ATOM 1135 N ALA A 73 -5.760 -1.048 10.692 1.00 51.51 N ATOM 1136 CA ALA A 73 -4.691 -0.050 10.910 1.00 21.33 C ATOM 1137 C ALA A 73 -5.046 0.971 12.007 1.00 41.14 C ATOM 1138 O ALA A 73 -4.260 1.185 12.945 1.00 13.23 O ATOM 1139 CB ALA A 73 -4.377 0.667 9.591 1.00 45.42 C ATOM 0 H ALA A 73 -6.237 -0.956 9.795 1.00 51.51 H new ATOM 0 HA ALA A 73 -3.808 -0.587 11.258 1.00 21.33 H new ATOM 0 HB1 ALA A 73 -3.589 1.402 9.755 1.00 45.42 H new ATOM 0 HB2 ALA A 73 -4.046 -0.061 8.851 1.00 45.42 H new ATOM 0 HB3 ALA A 73 -5.273 1.171 9.228 1.00 45.42 H new ATOM 1145 N LYS A 74 -6.245 1.582 11.886 1.00 2.31 N ATOM 1146 CA LYS A 74 -6.701 2.657 12.798 1.00 23.05 C ATOM 1147 C LYS A 74 -6.840 2.169 14.259 1.00 14.31 C ATOM 1148 O LYS A 74 -6.651 2.958 15.191 1.00 42.23 O ATOM 1149 CB LYS A 74 -8.039 3.300 12.295 1.00 13.52 C ATOM 1150 CG LYS A 74 -9.300 2.429 12.486 1.00 2.42 C ATOM 1151 CD LYS A 74 -10.558 2.961 11.746 1.00 42.21 C ATOM 1152 CE LYS A 74 -10.975 4.374 12.186 1.00 60.34 C ATOM 1153 NZ LYS A 74 -12.250 4.816 11.538 1.00 52.12 N ATOM 0 H LYS A 74 -6.921 1.347 11.159 1.00 2.31 H new ATOM 0 HA LYS A 74 -5.927 3.425 12.788 1.00 23.05 H new ATOM 0 HB2 LYS A 74 -8.188 4.245 12.817 1.00 13.52 H new ATOM 0 HB3 LYS A 74 -7.935 3.533 11.235 1.00 13.52 H new ATOM 0 HG2 LYS A 74 -9.087 1.419 12.137 1.00 2.42 H new ATOM 0 HG3 LYS A 74 -9.521 2.358 13.551 1.00 2.42 H new ATOM 0 HD2 LYS A 74 -10.364 2.965 10.673 1.00 42.21 H new ATOM 0 HD3 LYS A 74 -11.388 2.276 11.918 1.00 42.21 H new ATOM 0 HE2 LYS A 74 -11.094 4.395 13.269 1.00 60.34 H new ATOM 0 HE3 LYS A 74 -10.181 5.079 11.939 1.00 60.34 H new ATOM 0 HZ1 LYS A 74 -12.492 5.773 11.864 1.00 52.12 H new ATOM 0 HZ2 LYS A 74 -12.130 4.822 10.505 1.00 52.12 H new ATOM 0 HZ3 LYS A 74 -13.015 4.160 11.794 1.00 52.12 H new ATOM 1167 N LYS A 75 -7.131 0.856 14.460 1.00 34.43 N ATOM 1168 CA LYS A 75 -7.287 0.281 15.820 1.00 64.35 C ATOM 1169 C LYS A 75 -5.922 0.060 16.505 1.00 24.44 C ATOM 1170 O LYS A 75 -5.833 0.052 17.736 1.00 34.12 O ATOM 1171 CB LYS A 75 -8.100 -1.045 15.796 1.00 73.51 C ATOM 1172 CG LYS A 75 -7.396 -2.260 15.148 1.00 1.42 C ATOM 1173 CD LYS A 75 -8.162 -3.607 15.297 1.00 1.24 C ATOM 1174 CE LYS A 75 -9.435 -3.715 14.439 1.00 31.04 C ATOM 1175 NZ LYS A 75 -10.520 -2.793 14.881 1.00 23.13 N ATOM 0 H LYS A 75 -7.261 0.183 13.705 1.00 34.43 H new ATOM 0 HA LYS A 75 -7.847 1.011 16.405 1.00 64.35 H new ATOM 0 HB2 LYS A 75 -8.362 -1.306 16.821 1.00 73.51 H new ATOM 0 HB3 LYS A 75 -9.034 -0.866 15.264 1.00 73.51 H new ATOM 0 HG2 LYS A 75 -7.250 -2.056 14.087 1.00 1.42 H new ATOM 0 HG3 LYS A 75 -6.406 -2.369 15.591 1.00 1.42 H new ATOM 0 HD2 LYS A 75 -7.490 -4.424 15.032 1.00 1.24 H new ATOM 0 HD3 LYS A 75 -8.432 -3.743 16.344 1.00 1.24 H new ATOM 0 HE2 LYS A 75 -9.185 -3.500 13.400 1.00 31.04 H new ATOM 0 HE3 LYS A 75 -9.802 -4.741 14.473 1.00 31.04 H new ATOM 0 HZ1 LYS A 75 -11.437 -3.281 14.819 1.00 23.13 H new ATOM 0 HZ2 LYS A 75 -10.349 -2.502 15.865 1.00 23.13 H new ATOM 0 HZ3 LYS A 75 -10.533 -1.953 14.268 1.00 23.13 H new ATOM 1189 N GLU A 76 -4.869 -0.125 15.687 1.00 1.32 N ATOM 1190 CA GLU A 76 -3.479 -0.239 16.172 1.00 65.44 C ATOM 1191 C GLU A 76 -2.844 1.156 16.349 1.00 75.24 C ATOM 1192 O GLU A 76 -1.725 1.271 16.858 1.00 42.11 O ATOM 1193 CB GLU A 76 -2.620 -1.072 15.183 1.00 34.01 C ATOM 1194 CG GLU A 76 -3.162 -2.478 14.864 1.00 64.14 C ATOM 1195 CD GLU A 76 -3.432 -3.348 16.099 1.00 44.13 C ATOM 1196 OE1 GLU A 76 -2.544 -3.463 16.971 1.00 25.32 O ATOM 1197 OE2 GLU A 76 -4.514 -3.965 16.193 1.00 14.40 O ATOM 0 H GLU A 76 -4.956 -0.200 14.674 1.00 1.32 H new ATOM 0 HA GLU A 76 -3.506 -0.744 17.138 1.00 65.44 H new ATOM 0 HB2 GLU A 76 -2.528 -0.516 14.250 1.00 34.01 H new ATOM 0 HB3 GLU A 76 -1.616 -1.172 15.595 1.00 34.01 H new ATOM 0 HG2 GLU A 76 -4.087 -2.377 14.296 1.00 64.14 H new ATOM 0 HG3 GLU A 76 -2.448 -2.992 14.221 1.00 64.14 H new ATOM 1204 N GLY A 77 -3.579 2.200 15.929 1.00 10.32 N ATOM 1205 CA GLY A 77 -3.059 3.566 15.898 1.00 55.00 C ATOM 1206 C GLY A 77 -2.034 3.808 14.790 1.00 41.55 C ATOM 1207 O GLY A 77 -1.315 4.814 14.822 1.00 74.11 O ATOM 0 H GLY A 77 -4.542 2.116 15.605 1.00 10.32 H new ATOM 0 HA2 GLY A 77 -3.890 4.259 15.769 1.00 55.00 H new ATOM 0 HA3 GLY A 77 -2.601 3.793 16.861 1.00 55.00 H new ATOM 1211 N VAL A 78 -1.957 2.876 13.817 1.00 5.32 N ATOM 1212 CA VAL A 78 -1.078 3.017 12.648 1.00 54.50 C ATOM 1213 C VAL A 78 -1.705 4.027 11.674 1.00 1.31 C ATOM 1214 O VAL A 78 -2.900 3.939 11.354 1.00 54.45 O ATOM 1215 CB VAL A 78 -0.827 1.639 11.912 1.00 54.01 C ATOM 1216 CG1 VAL A 78 0.090 1.814 10.679 1.00 20.04 C ATOM 1217 CG2 VAL A 78 -0.251 0.577 12.878 1.00 12.11 C ATOM 0 H VAL A 78 -2.500 2.013 13.823 1.00 5.32 H new ATOM 0 HA VAL A 78 -0.108 3.372 12.995 1.00 54.50 H new ATOM 0 HB VAL A 78 -1.795 1.282 11.561 1.00 54.01 H new ATOM 0 HG11 VAL A 78 0.241 0.848 10.198 1.00 20.04 H new ATOM 0 HG12 VAL A 78 -0.376 2.502 9.974 1.00 20.04 H new ATOM 0 HG13 VAL A 78 1.052 2.216 10.995 1.00 20.04 H new ATOM 0 HG21 VAL A 78 -0.091 -0.357 12.339 1.00 12.11 H new ATOM 0 HG22 VAL A 78 0.698 0.930 13.282 1.00 12.11 H new ATOM 0 HG23 VAL A 78 -0.953 0.409 13.694 1.00 12.11 H new ATOM 1227 N SER A 79 -0.887 4.982 11.218 1.00 3.23 N ATOM 1228 CA SER A 79 -1.307 5.981 10.238 1.00 75.42 C ATOM 1229 C SER A 79 -1.333 5.315 8.841 1.00 53.44 C ATOM 1230 O SER A 79 -0.522 4.426 8.562 1.00 51.12 O ATOM 1231 CB SER A 79 -0.329 7.183 10.276 1.00 33.42 C ATOM 1232 OG SER A 79 -0.768 8.270 9.471 1.00 1.14 O ATOM 0 H SER A 79 0.082 5.081 11.519 1.00 3.23 H new ATOM 0 HA SER A 79 -2.305 6.356 10.467 1.00 75.42 H new ATOM 0 HB2 SER A 79 -0.215 7.521 11.306 1.00 33.42 H new ATOM 0 HB3 SER A 79 0.654 6.858 9.936 1.00 33.42 H new ATOM 0 HG SER A 79 -0.120 9.003 9.529 1.00 1.14 H new ATOM 1238 N TYR A 80 -2.280 5.718 7.986 1.00 32.05 N ATOM 1239 CA TYR A 80 -2.404 5.203 6.609 1.00 24.42 C ATOM 1240 C TYR A 80 -2.919 6.329 5.709 1.00 23.24 C ATOM 1241 O TYR A 80 -3.836 7.077 6.094 1.00 61.43 O ATOM 1242 CB TYR A 80 -3.332 3.948 6.543 1.00 12.44 C ATOM 1243 CG TYR A 80 -4.746 4.153 7.116 1.00 72.43 C ATOM 1244 CD1 TYR A 80 -4.994 3.993 8.480 1.00 1.55 C ATOM 1245 CD2 TYR A 80 -5.827 4.514 6.300 1.00 40.21 C ATOM 1246 CE1 TYR A 80 -6.255 4.177 9.005 1.00 22.23 C ATOM 1247 CE2 TYR A 80 -7.087 4.698 6.829 1.00 74.14 C ATOM 1248 CZ TYR A 80 -7.292 4.532 8.180 1.00 23.10 C ATOM 1249 OH TYR A 80 -8.548 4.719 8.708 1.00 34.10 O ATOM 0 H TYR A 80 -2.987 6.413 8.226 1.00 32.05 H new ATOM 0 HA TYR A 80 -1.425 4.877 6.258 1.00 24.42 H new ATOM 0 HB2 TYR A 80 -3.420 3.634 5.503 1.00 12.44 H new ATOM 0 HB3 TYR A 80 -2.852 3.131 7.083 1.00 12.44 H new ATOM 0 HD1 TYR A 80 -4.182 3.720 9.137 1.00 1.55 H new ATOM 0 HD2 TYR A 80 -5.671 4.650 5.240 1.00 40.21 H new ATOM 0 HE1 TYR A 80 -6.426 4.042 10.063 1.00 22.23 H new ATOM 0 HE2 TYR A 80 -7.910 4.971 6.186 1.00 74.14 H new ATOM 0 HH TYR A 80 -9.170 4.968 7.993 1.00 34.10 H new ATOM 1259 N ASP A 81 -2.310 6.457 4.531 1.00 70.35 N ATOM 1260 CA ASP A 81 -2.582 7.537 3.583 1.00 4.41 C ATOM 1261 C ASP A 81 -3.145 6.928 2.291 1.00 53.10 C ATOM 1262 O ASP A 81 -2.453 6.168 1.611 1.00 22.45 O ATOM 1263 CB ASP A 81 -1.271 8.329 3.331 1.00 2.31 C ATOM 1264 CG ASP A 81 -1.502 9.612 2.528 1.00 75.51 C ATOM 1265 OD1 ASP A 81 -2.161 10.533 3.065 1.00 23.23 O ATOM 1266 OD2 ASP A 81 -1.039 9.711 1.371 1.00 41.15 O ATOM 0 H ASP A 81 -1.601 5.801 4.203 1.00 70.35 H new ATOM 0 HA ASP A 81 -3.321 8.233 3.979 1.00 4.41 H new ATOM 0 HB2 ASP A 81 -0.814 8.581 4.288 1.00 2.31 H new ATOM 0 HB3 ASP A 81 -0.564 7.694 2.798 1.00 2.31 H new ATOM 1271 N VAL A 82 -4.411 7.260 1.972 1.00 12.34 N ATOM 1272 CA VAL A 82 -5.170 6.622 0.879 1.00 31.12 C ATOM 1273 C VAL A 82 -4.895 7.345 -0.463 1.00 71.43 C ATOM 1274 O VAL A 82 -5.496 8.378 -0.782 1.00 31.24 O ATOM 1275 CB VAL A 82 -6.720 6.592 1.219 1.00 45.21 C ATOM 1276 CG1 VAL A 82 -7.540 5.980 0.066 1.00 75.13 C ATOM 1277 CG2 VAL A 82 -6.986 5.831 2.547 1.00 73.45 C ATOM 0 H VAL A 82 -4.937 7.980 2.467 1.00 12.34 H new ATOM 0 HA VAL A 82 -4.836 5.590 0.775 1.00 31.12 H new ATOM 0 HB VAL A 82 -7.045 7.624 1.347 1.00 45.21 H new ATOM 0 HG11 VAL A 82 -8.597 5.975 0.333 1.00 75.13 H new ATOM 0 HG12 VAL A 82 -7.397 6.573 -0.837 1.00 75.13 H new ATOM 0 HG13 VAL A 82 -7.207 4.958 -0.115 1.00 75.13 H new ATOM 0 HG21 VAL A 82 -8.056 5.826 2.755 1.00 73.45 H new ATOM 0 HG22 VAL A 82 -6.629 4.805 2.456 1.00 73.45 H new ATOM 0 HG23 VAL A 82 -6.460 6.327 3.362 1.00 73.45 H new ATOM 1287 N LEU A 83 -3.948 6.779 -1.223 1.00 15.20 N ATOM 1288 CA LEU A 83 -3.505 7.304 -2.523 1.00 4.22 C ATOM 1289 C LEU A 83 -4.389 6.731 -3.649 1.00 71.44 C ATOM 1290 O LEU A 83 -4.184 5.607 -4.103 1.00 62.53 O ATOM 1291 CB LEU A 83 -2.003 6.936 -2.747 1.00 61.24 C ATOM 1292 CG LEU A 83 -1.378 7.299 -4.139 1.00 32.30 C ATOM 1293 CD1 LEU A 83 -1.422 8.812 -4.427 1.00 43.12 C ATOM 1294 CD2 LEU A 83 0.057 6.737 -4.255 1.00 4.11 C ATOM 0 H LEU A 83 -3.459 5.928 -0.947 1.00 15.20 H new ATOM 0 HA LEU A 83 -3.603 8.390 -2.535 1.00 4.22 H new ATOM 0 HB2 LEU A 83 -1.415 7.429 -1.973 1.00 61.24 H new ATOM 0 HB3 LEU A 83 -1.892 5.862 -2.596 1.00 61.24 H new ATOM 0 HG LEU A 83 -1.992 6.825 -4.905 1.00 32.30 H new ATOM 0 HD11 LEU A 83 -0.977 9.010 -5.402 1.00 43.12 H new ATOM 0 HD12 LEU A 83 -2.457 9.153 -4.424 1.00 43.12 H new ATOM 0 HD13 LEU A 83 -0.863 9.345 -3.658 1.00 43.12 H new ATOM 0 HD21 LEU A 83 0.473 6.999 -5.228 1.00 4.11 H new ATOM 0 HD22 LEU A 83 0.679 7.162 -3.467 1.00 4.11 H new ATOM 0 HD23 LEU A 83 0.032 5.652 -4.152 1.00 4.11 H new ATOM 1306 N LYS A 84 -5.401 7.504 -4.065 1.00 44.53 N ATOM 1307 CA LYS A 84 -6.282 7.128 -5.182 1.00 32.01 C ATOM 1308 C LYS A 84 -5.828 7.868 -6.446 1.00 60.11 C ATOM 1309 O LYS A 84 -6.087 9.070 -6.600 1.00 0.30 O ATOM 1310 CB LYS A 84 -7.759 7.452 -4.858 1.00 24.23 C ATOM 1311 CG LYS A 84 -8.338 6.643 -3.684 1.00 44.13 C ATOM 1312 CD LYS A 84 -9.838 6.922 -3.456 1.00 53.34 C ATOM 1313 CE LYS A 84 -10.410 6.078 -2.315 1.00 4.10 C ATOM 1314 NZ LYS A 84 -11.875 6.283 -2.142 1.00 63.50 N ATOM 0 H LYS A 84 -5.632 8.402 -3.641 1.00 44.53 H new ATOM 0 HA LYS A 84 -6.214 6.053 -5.346 1.00 32.01 H new ATOM 0 HB2 LYS A 84 -7.845 8.514 -4.630 1.00 24.23 H new ATOM 0 HB3 LYS A 84 -8.363 7.266 -5.746 1.00 24.23 H new ATOM 0 HG2 LYS A 84 -8.195 5.579 -3.874 1.00 44.13 H new ATOM 0 HG3 LYS A 84 -7.785 6.881 -2.775 1.00 44.13 H new ATOM 0 HD2 LYS A 84 -9.980 7.979 -3.232 1.00 53.34 H new ATOM 0 HD3 LYS A 84 -10.389 6.714 -4.373 1.00 53.34 H new ATOM 0 HE2 LYS A 84 -10.213 5.024 -2.511 1.00 4.10 H new ATOM 0 HE3 LYS A 84 -9.898 6.330 -1.387 1.00 4.10 H new ATOM 0 HZ1 LYS A 84 -12.218 5.691 -1.358 1.00 63.50 H new ATOM 0 HZ2 LYS A 84 -12.063 7.283 -1.929 1.00 63.50 H new ATOM 0 HZ3 LYS A 84 -12.369 6.017 -3.018 1.00 63.50 H new ATOM 1328 N SER A 85 -5.117 7.150 -7.319 1.00 4.11 N ATOM 1329 CA SER A 85 -4.604 7.705 -8.576 1.00 24.24 C ATOM 1330 C SER A 85 -4.342 6.579 -9.586 1.00 5.30 C ATOM 1331 O SER A 85 -3.904 5.494 -9.213 1.00 74.44 O ATOM 1332 CB SER A 85 -3.314 8.516 -8.318 1.00 34.03 C ATOM 1333 OG SER A 85 -2.845 9.134 -9.507 1.00 70.22 O ATOM 0 H SER A 85 -4.880 6.168 -7.175 1.00 4.11 H new ATOM 0 HA SER A 85 -5.354 8.376 -8.995 1.00 24.24 H new ATOM 0 HB2 SER A 85 -3.506 9.277 -7.562 1.00 34.03 H new ATOM 0 HB3 SER A 85 -2.542 7.858 -7.919 1.00 34.03 H new ATOM 0 HG SER A 85 -2.177 9.814 -9.280 1.00 70.22 H new ATOM 1339 N THR A 86 -4.620 6.862 -10.862 1.00 34.12 N ATOM 1340 CA THR A 86 -4.302 5.976 -11.986 1.00 32.23 C ATOM 1341 C THR A 86 -3.262 6.679 -12.871 1.00 71.42 C ATOM 1342 O THR A 86 -3.622 7.459 -13.765 1.00 22.02 O ATOM 1343 CB THR A 86 -5.589 5.623 -12.811 1.00 52.30 C ATOM 1344 OG1 THR A 86 -6.359 6.817 -13.048 1.00 52.51 O ATOM 1345 CG2 THR A 86 -6.463 4.581 -12.099 1.00 32.41 C ATOM 0 H THR A 86 -5.080 7.727 -11.148 1.00 34.12 H new ATOM 0 HA THR A 86 -3.898 5.036 -11.609 1.00 32.23 H new ATOM 0 HB THR A 86 -5.263 5.192 -13.758 1.00 52.30 H new ATOM 0 HG1 THR A 86 -5.770 7.525 -13.382 1.00 52.51 H new ATOM 0 HG21 THR A 86 -7.342 4.367 -12.707 1.00 32.41 H new ATOM 0 HG22 THR A 86 -5.891 3.665 -11.954 1.00 32.41 H new ATOM 0 HG23 THR A 86 -6.777 4.970 -11.130 1.00 32.41 H new ATOM 1353 N ASP A 87 -1.976 6.436 -12.577 1.00 54.32 N ATOM 1354 CA ASP A 87 -0.847 7.067 -13.280 1.00 2.12 C ATOM 1355 C ASP A 87 0.424 6.264 -12.945 1.00 41.42 C ATOM 1356 O ASP A 87 0.838 6.254 -11.785 1.00 32.42 O ATOM 1357 CB ASP A 87 -0.676 8.557 -12.857 1.00 0.13 C ATOM 1358 CG ASP A 87 0.307 9.332 -13.764 1.00 61.33 C ATOM 1359 OD1 ASP A 87 1.525 9.042 -13.738 1.00 62.11 O ATOM 1360 OD2 ASP A 87 -0.138 10.237 -14.507 1.00 52.23 O ATOM 0 H ASP A 87 -1.687 5.792 -11.840 1.00 54.32 H new ATOM 0 HA ASP A 87 -1.034 7.060 -14.354 1.00 2.12 H new ATOM 0 HB2 ASP A 87 -1.648 9.049 -12.880 1.00 0.13 H new ATOM 0 HB3 ASP A 87 -0.322 8.598 -11.827 1.00 0.13 H new ATOM 1365 N PRO A 88 1.077 5.593 -13.944 1.00 61.00 N ATOM 1366 CA PRO A 88 2.207 4.672 -13.677 1.00 40.34 C ATOM 1367 C PRO A 88 3.408 5.359 -13.005 1.00 2.45 C ATOM 1368 O PRO A 88 3.993 4.802 -12.073 1.00 15.34 O ATOM 1369 CB PRO A 88 2.568 4.113 -15.079 1.00 63.12 C ATOM 1370 CG PRO A 88 2.014 5.112 -16.052 1.00 51.31 C ATOM 1371 CD PRO A 88 0.769 5.671 -15.400 1.00 61.45 C ATOM 0 HA PRO A 88 1.931 3.893 -12.966 1.00 40.34 H new ATOM 0 HB2 PRO A 88 3.646 4.006 -15.195 1.00 63.12 H new ATOM 0 HB3 PRO A 88 2.131 3.127 -15.235 1.00 63.12 H new ATOM 0 HG2 PRO A 88 2.737 5.902 -16.257 1.00 51.31 H new ATOM 0 HG3 PRO A 88 1.778 4.640 -17.006 1.00 51.31 H new ATOM 0 HD2 PRO A 88 0.576 6.696 -15.716 1.00 61.45 H new ATOM 0 HD3 PRO A 88 -0.115 5.087 -15.656 1.00 61.45 H new ATOM 1379 N GLU A 89 3.747 6.590 -13.433 1.00 2.14 N ATOM 1380 CA GLU A 89 4.974 7.258 -12.960 1.00 52.44 C ATOM 1381 C GLU A 89 4.717 8.055 -11.674 1.00 74.32 C ATOM 1382 O GLU A 89 5.650 8.278 -10.892 1.00 42.45 O ATOM 1383 CB GLU A 89 5.604 8.155 -14.051 1.00 32.12 C ATOM 1384 CG GLU A 89 4.824 9.429 -14.384 1.00 3.34 C ATOM 1385 CD GLU A 89 5.508 10.263 -15.471 1.00 51.33 C ATOM 1386 OE1 GLU A 89 6.495 10.960 -15.153 1.00 54.12 O ATOM 1387 OE2 GLU A 89 5.084 10.197 -16.639 1.00 71.02 O ATOM 0 H GLU A 89 3.197 7.136 -14.096 1.00 2.14 H new ATOM 0 HA GLU A 89 5.694 6.472 -12.731 1.00 52.44 H new ATOM 0 HB2 GLU A 89 6.607 8.437 -13.731 1.00 32.12 H new ATOM 0 HB3 GLU A 89 5.713 7.567 -14.962 1.00 32.12 H new ATOM 0 HG2 GLU A 89 3.820 9.162 -14.713 1.00 3.34 H new ATOM 0 HG3 GLU A 89 4.715 10.031 -13.482 1.00 3.34 H new ATOM 1394 N GLU A 90 3.450 8.486 -11.459 1.00 23.42 N ATOM 1395 CA GLU A 90 3.076 9.228 -10.245 1.00 12.45 C ATOM 1396 C GLU A 90 2.978 8.280 -9.051 1.00 43.35 C ATOM 1397 O GLU A 90 3.481 8.587 -7.976 1.00 31.03 O ATOM 1398 CB GLU A 90 1.747 9.997 -10.397 1.00 24.52 C ATOM 1399 CG GLU A 90 1.411 10.869 -9.167 1.00 32.33 C ATOM 1400 CD GLU A 90 0.032 11.520 -9.236 1.00 45.30 C ATOM 1401 OE1 GLU A 90 -0.140 12.472 -10.018 1.00 31.51 O ATOM 1402 OE2 GLU A 90 -0.883 11.089 -8.501 1.00 51.03 O ATOM 0 H GLU A 90 2.680 8.331 -12.109 1.00 23.42 H new ATOM 0 HA GLU A 90 3.863 9.963 -10.078 1.00 12.45 H new ATOM 0 HB2 GLU A 90 1.800 10.631 -11.282 1.00 24.52 H new ATOM 0 HB3 GLU A 90 0.938 9.285 -10.563 1.00 24.52 H new ATOM 0 HG2 GLU A 90 1.468 10.253 -8.269 1.00 32.33 H new ATOM 0 HG3 GLU A 90 2.167 11.648 -9.068 1.00 32.33 H new ATOM 1409 N LEU A 91 2.347 7.110 -9.258 1.00 12.43 N ATOM 1410 CA LEU A 91 2.254 6.088 -8.201 1.00 14.00 C ATOM 1411 C LEU A 91 3.675 5.651 -7.787 1.00 15.25 C ATOM 1412 O LEU A 91 3.950 5.465 -6.610 1.00 64.21 O ATOM 1413 CB LEU A 91 1.399 4.872 -8.649 1.00 50.10 C ATOM 1414 CG LEU A 91 -0.119 5.132 -8.926 1.00 41.50 C ATOM 1415 CD1 LEU A 91 -0.834 3.825 -9.331 1.00 52.44 C ATOM 1416 CD2 LEU A 91 -0.816 5.786 -7.718 1.00 70.21 C ATOM 0 H LEU A 91 1.899 6.851 -10.137 1.00 12.43 H new ATOM 0 HA LEU A 91 1.748 6.523 -7.339 1.00 14.00 H new ATOM 0 HB2 LEU A 91 1.843 4.462 -9.556 1.00 50.10 H new ATOM 0 HB3 LEU A 91 1.476 4.103 -7.881 1.00 50.10 H new ATOM 0 HG LEU A 91 -0.184 5.833 -9.759 1.00 41.50 H new ATOM 0 HD11 LEU A 91 -1.888 4.030 -9.519 1.00 52.44 H new ATOM 0 HD12 LEU A 91 -0.376 3.425 -10.235 1.00 52.44 H new ATOM 0 HD13 LEU A 91 -0.744 3.096 -8.525 1.00 52.44 H new ATOM 0 HD21 LEU A 91 -1.868 5.950 -7.950 1.00 70.21 H new ATOM 0 HD22 LEU A 91 -0.734 5.130 -6.851 1.00 70.21 H new ATOM 0 HD23 LEU A 91 -0.340 6.741 -7.497 1.00 70.21 H new ATOM 1428 N THR A 92 4.584 5.574 -8.786 1.00 53.34 N ATOM 1429 CA THR A 92 6.012 5.283 -8.566 1.00 3.52 C ATOM 1430 C THR A 92 6.713 6.419 -7.780 1.00 22.21 C ATOM 1431 O THR A 92 7.507 6.142 -6.876 1.00 4.32 O ATOM 1432 CB THR A 92 6.742 5.042 -9.933 1.00 50.44 C ATOM 1433 OG1 THR A 92 6.139 3.928 -10.611 1.00 21.41 O ATOM 1434 CG2 THR A 92 8.251 4.776 -9.768 1.00 50.14 C ATOM 0 H THR A 92 4.343 5.713 -9.767 1.00 53.34 H new ATOM 0 HA THR A 92 6.071 4.375 -7.966 1.00 3.52 H new ATOM 0 HB THR A 92 6.634 5.956 -10.516 1.00 50.44 H new ATOM 0 HG1 THR A 92 5.380 4.242 -11.145 1.00 21.41 H new ATOM 0 HG21 THR A 92 8.702 4.617 -10.748 1.00 50.14 H new ATOM 0 HG22 THR A 92 8.721 5.634 -9.287 1.00 50.14 H new ATOM 0 HG23 THR A 92 8.399 3.889 -9.152 1.00 50.14 H new ATOM 1442 N GLN A 93 6.394 7.693 -8.115 1.00 23.34 N ATOM 1443 CA GLN A 93 7.059 8.860 -7.500 1.00 20.33 C ATOM 1444 C GLN A 93 6.612 9.035 -6.039 1.00 15.11 C ATOM 1445 O GLN A 93 7.402 9.476 -5.207 1.00 21.24 O ATOM 1446 CB GLN A 93 6.849 10.173 -8.323 1.00 61.41 C ATOM 1447 CG GLN A 93 5.533 10.946 -8.064 1.00 44.14 C ATOM 1448 CD GLN A 93 5.295 12.150 -8.991 1.00 0.33 C ATOM 1449 OE1 GLN A 93 4.710 13.154 -8.590 1.00 41.02 O ATOM 1450 NE2 GLN A 93 5.689 12.041 -10.254 1.00 10.30 N ATOM 0 H GLN A 93 5.683 7.934 -8.805 1.00 23.34 H new ATOM 0 HA GLN A 93 8.130 8.660 -7.509 1.00 20.33 H new ATOM 0 HB2 GLN A 93 7.684 10.842 -8.117 1.00 61.41 H new ATOM 0 HB3 GLN A 93 6.895 9.923 -9.383 1.00 61.41 H new ATOM 0 HG2 GLN A 93 4.696 10.255 -8.168 1.00 44.14 H new ATOM 0 HG3 GLN A 93 5.531 11.295 -7.031 1.00 44.14 H new ATOM 0 HE21 GLN A 93 6.173 11.199 -10.566 1.00 10.30 H new ATOM 0 HE22 GLN A 93 5.508 12.799 -10.912 1.00 10.30 H new ATOM 1459 N ARG A 94 5.347 8.651 -5.740 1.00 3.32 N ATOM 1460 CA ARG A 94 4.774 8.753 -4.389 1.00 30.21 C ATOM 1461 C ARG A 94 5.368 7.666 -3.478 1.00 44.53 C ATOM 1462 O ARG A 94 5.679 7.928 -2.320 1.00 3.51 O ATOM 1463 CB ARG A 94 3.220 8.644 -4.431 1.00 52.15 C ATOM 1464 CG ARG A 94 2.508 9.760 -5.234 1.00 63.54 C ATOM 1465 CD ARG A 94 2.799 11.176 -4.706 1.00 4.24 C ATOM 1466 NE ARG A 94 2.212 12.223 -5.566 1.00 34.04 N ATOM 1467 CZ ARG A 94 2.839 13.346 -5.952 1.00 22.12 C ATOM 1468 NH1 ARG A 94 4.090 13.601 -5.570 1.00 10.53 N ATOM 1469 NH2 ARG A 94 2.206 14.220 -6.722 1.00 62.11 N ATOM 0 H ARG A 94 4.703 8.264 -6.430 1.00 3.32 H new ATOM 0 HA ARG A 94 5.030 9.731 -3.981 1.00 30.21 H new ATOM 0 HB2 ARG A 94 2.950 7.679 -4.860 1.00 52.15 H new ATOM 0 HB3 ARG A 94 2.842 8.655 -3.409 1.00 52.15 H new ATOM 0 HG2 ARG A 94 2.817 9.699 -6.278 1.00 63.54 H new ATOM 0 HG3 ARG A 94 1.432 9.585 -5.209 1.00 63.54 H new ATOM 0 HD2 ARG A 94 2.403 11.274 -3.695 1.00 4.24 H new ATOM 0 HD3 ARG A 94 3.877 11.323 -4.641 1.00 4.24 H new ATOM 0 HE ARG A 94 1.256 12.082 -5.892 1.00 34.04 H new ATOM 0 HH11 ARG A 94 4.587 12.938 -4.975 1.00 10.53 H new ATOM 0 HH12 ARG A 94 4.551 14.459 -5.873 1.00 10.53 H new ATOM 0 HH21 ARG A 94 1.247 14.038 -7.018 1.00 62.11 H new ATOM 0 HH22 ARG A 94 2.678 15.075 -7.018 1.00 62.11 H new ATOM 1483 N VAL A 95 5.528 6.450 -4.037 1.00 3.32 N ATOM 1484 CA VAL A 95 6.152 5.310 -3.337 1.00 73.44 C ATOM 1485 C VAL A 95 7.634 5.612 -3.036 1.00 70.03 C ATOM 1486 O VAL A 95 8.089 5.445 -1.898 1.00 22.13 O ATOM 1487 CB VAL A 95 6.011 3.977 -4.189 1.00 70.55 C ATOM 1488 CG1 VAL A 95 6.885 2.820 -3.644 1.00 72.44 C ATOM 1489 CG2 VAL A 95 4.530 3.549 -4.282 1.00 71.14 C ATOM 0 H VAL A 95 5.228 6.231 -4.987 1.00 3.32 H new ATOM 0 HA VAL A 95 5.631 5.161 -2.391 1.00 73.44 H new ATOM 0 HB VAL A 95 6.381 4.200 -5.190 1.00 70.55 H new ATOM 0 HG11 VAL A 95 6.747 1.936 -4.266 1.00 72.44 H new ATOM 0 HG12 VAL A 95 7.934 3.117 -3.662 1.00 72.44 H new ATOM 0 HG13 VAL A 95 6.590 2.592 -2.620 1.00 72.44 H new ATOM 0 HG21 VAL A 95 4.452 2.634 -4.869 1.00 71.14 H new ATOM 0 HG22 VAL A 95 4.139 3.372 -3.280 1.00 71.14 H new ATOM 0 HG23 VAL A 95 3.952 4.339 -4.762 1.00 71.14 H new ATOM 1499 N ARG A 96 8.359 6.122 -4.060 1.00 62.13 N ATOM 1500 CA ARG A 96 9.812 6.331 -3.975 1.00 2.52 C ATOM 1501 C ARG A 96 10.152 7.424 -2.936 1.00 63.34 C ATOM 1502 O ARG A 96 11.023 7.215 -2.088 1.00 42.35 O ATOM 1503 CB ARG A 96 10.441 6.627 -5.388 1.00 5.53 C ATOM 1504 CG ARG A 96 10.292 8.063 -5.930 1.00 45.21 C ATOM 1505 CD ARG A 96 10.724 8.212 -7.409 1.00 5.13 C ATOM 1506 NE ARG A 96 12.146 7.893 -7.652 1.00 25.13 N ATOM 1507 CZ ARG A 96 12.721 7.840 -8.871 1.00 62.30 C ATOM 1508 NH1 ARG A 96 12.018 8.087 -9.980 1.00 13.03 N ATOM 1509 NH2 ARG A 96 14.016 7.557 -8.975 1.00 71.21 N ATOM 0 H ARG A 96 7.953 6.395 -4.955 1.00 62.13 H new ATOM 0 HA ARG A 96 10.266 5.404 -3.626 1.00 2.52 H new ATOM 0 HB2 ARG A 96 11.504 6.390 -5.343 1.00 5.53 H new ATOM 0 HB3 ARG A 96 9.992 5.944 -6.109 1.00 5.53 H new ATOM 0 HG2 ARG A 96 9.252 8.375 -5.830 1.00 45.21 H new ATOM 0 HG3 ARG A 96 10.888 8.738 -5.316 1.00 45.21 H new ATOM 0 HD2 ARG A 96 10.105 7.560 -8.026 1.00 5.13 H new ATOM 0 HD3 ARG A 96 10.531 9.235 -7.733 1.00 5.13 H new ATOM 0 HE ARG A 96 12.734 7.699 -6.841 1.00 25.13 H new ATOM 0 HH11 ARG A 96 11.027 8.321 -9.914 1.00 13.03 H new ATOM 0 HH12 ARG A 96 12.472 8.042 -10.892 1.00 13.03 H new ATOM 0 HH21 ARG A 96 14.569 7.381 -8.136 1.00 71.21 H new ATOM 0 HH22 ARG A 96 14.457 7.515 -9.894 1.00 71.21 H new ATOM 1523 N GLU A 97 9.423 8.568 -2.977 1.00 30.11 N ATOM 1524 CA GLU A 97 9.638 9.681 -2.034 1.00 33.42 C ATOM 1525 C GLU A 97 9.274 9.257 -0.598 1.00 51.53 C ATOM 1526 O GLU A 97 10.025 9.553 0.333 1.00 63.41 O ATOM 1527 CB GLU A 97 8.850 10.957 -2.459 1.00 52.32 C ATOM 1528 CG GLU A 97 7.313 10.828 -2.420 1.00 63.53 C ATOM 1529 CD GLU A 97 6.571 12.090 -2.895 1.00 24.13 C ATOM 1530 OE1 GLU A 97 6.486 13.065 -2.117 1.00 22.43 O ATOM 1531 OE2 GLU A 97 6.060 12.107 -4.033 1.00 60.44 O ATOM 0 H GLU A 97 8.681 8.738 -3.656 1.00 30.11 H new ATOM 0 HA GLU A 97 10.698 9.933 -2.058 1.00 33.42 H new ATOM 0 HB2 GLU A 97 9.145 11.780 -1.808 1.00 52.32 H new ATOM 0 HB3 GLU A 97 9.150 11.228 -3.471 1.00 52.32 H new ATOM 0 HG2 GLU A 97 7.013 9.985 -3.043 1.00 63.53 H new ATOM 0 HG3 GLU A 97 7.003 10.598 -1.401 1.00 63.53 H new ATOM 1538 N PHE A 98 8.134 8.533 -0.445 1.00 2.11 N ATOM 1539 CA PHE A 98 7.619 8.054 0.856 1.00 50.43 C ATOM 1540 C PHE A 98 8.650 7.192 1.608 1.00 41.41 C ATOM 1541 O PHE A 98 8.901 7.394 2.805 1.00 23.01 O ATOM 1542 CB PHE A 98 6.312 7.249 0.611 1.00 41.20 C ATOM 1543 CG PHE A 98 5.530 6.884 1.863 1.00 74.23 C ATOM 1544 CD1 PHE A 98 4.797 7.855 2.540 1.00 30.50 C ATOM 1545 CD2 PHE A 98 5.515 5.580 2.360 1.00 44.45 C ATOM 1546 CE1 PHE A 98 4.079 7.538 3.672 1.00 31.52 C ATOM 1547 CE2 PHE A 98 4.793 5.269 3.497 1.00 41.22 C ATOM 1548 CZ PHE A 98 4.078 6.244 4.150 1.00 61.30 C ATOM 0 H PHE A 98 7.544 8.265 -1.233 1.00 2.11 H new ATOM 0 HA PHE A 98 7.416 8.920 1.486 1.00 50.43 H new ATOM 0 HB2 PHE A 98 5.664 7.830 -0.046 1.00 41.20 H new ATOM 0 HB3 PHE A 98 6.564 6.331 0.079 1.00 41.20 H new ATOM 0 HD1 PHE A 98 4.791 8.871 2.173 1.00 30.50 H new ATOM 0 HD2 PHE A 98 6.072 4.807 1.852 1.00 44.45 H new ATOM 0 HE1 PHE A 98 3.516 8.303 4.186 1.00 31.52 H new ATOM 0 HE2 PHE A 98 4.791 4.257 3.873 1.00 41.22 H new ATOM 0 HZ PHE A 98 3.515 5.997 5.038 1.00 61.30 H new ATOM 1558 N LEU A 99 9.262 6.258 0.874 1.00 25.42 N ATOM 1559 CA LEU A 99 10.239 5.305 1.430 1.00 51.22 C ATOM 1560 C LEU A 99 11.582 5.979 1.755 1.00 12.42 C ATOM 1561 O LEU A 99 12.327 5.494 2.604 1.00 62.24 O ATOM 1562 CB LEU A 99 10.440 4.126 0.442 1.00 13.42 C ATOM 1563 CG LEU A 99 9.190 3.227 0.212 1.00 1.34 C ATOM 1564 CD1 LEU A 99 9.477 2.137 -0.842 1.00 32.24 C ATOM 1565 CD2 LEU A 99 8.688 2.621 1.544 1.00 33.11 C ATOM 0 H LEU A 99 9.096 6.138 -0.125 1.00 25.42 H new ATOM 0 HA LEU A 99 9.840 4.924 2.370 1.00 51.22 H new ATOM 0 HB2 LEU A 99 10.758 4.530 -0.519 1.00 13.42 H new ATOM 0 HB3 LEU A 99 11.254 3.501 0.810 1.00 13.42 H new ATOM 0 HG LEU A 99 8.390 3.854 -0.180 1.00 1.34 H new ATOM 0 HD11 LEU A 99 8.587 1.524 -0.983 1.00 32.24 H new ATOM 0 HD12 LEU A 99 9.747 2.607 -1.788 1.00 32.24 H new ATOM 0 HD13 LEU A 99 10.300 1.509 -0.501 1.00 32.24 H new ATOM 0 HD21 LEU A 99 7.814 1.998 1.354 1.00 33.11 H new ATOM 0 HD22 LEU A 99 9.477 2.014 1.988 1.00 33.11 H new ATOM 0 HD23 LEU A 99 8.418 3.424 2.230 1.00 33.11 H new ATOM 1577 N LYS A 100 11.878 7.099 1.074 1.00 51.45 N ATOM 1578 CA LYS A 100 13.122 7.850 1.300 1.00 23.22 C ATOM 1579 C LYS A 100 12.971 8.863 2.453 1.00 23.32 C ATOM 1580 O LYS A 100 13.961 9.183 3.119 1.00 34.33 O ATOM 1581 CB LYS A 100 13.588 8.569 -0.003 1.00 63.04 C ATOM 1582 CG LYS A 100 13.974 7.604 -1.155 1.00 44.12 C ATOM 1583 CD LYS A 100 14.559 8.298 -2.423 1.00 35.14 C ATOM 1584 CE LYS A 100 13.610 9.300 -3.116 1.00 42.50 C ATOM 1585 NZ LYS A 100 13.531 10.601 -2.393 1.00 3.42 N ATOM 0 H LYS A 100 11.271 7.504 0.361 1.00 51.45 H new ATOM 0 HA LYS A 100 13.888 7.129 1.587 1.00 23.22 H new ATOM 0 HB2 LYS A 100 12.791 9.228 -0.347 1.00 63.04 H new ATOM 0 HB3 LYS A 100 14.445 9.201 0.230 1.00 63.04 H new ATOM 0 HG2 LYS A 100 14.705 6.888 -0.780 1.00 44.12 H new ATOM 0 HG3 LYS A 100 13.090 7.035 -1.445 1.00 44.12 H new ATOM 0 HD2 LYS A 100 15.473 8.821 -2.143 1.00 35.14 H new ATOM 0 HD3 LYS A 100 14.839 7.529 -3.143 1.00 35.14 H new ATOM 0 HE2 LYS A 100 13.952 9.475 -4.136 1.00 42.50 H new ATOM 0 HE3 LYS A 100 12.613 8.864 -3.184 1.00 42.50 H new ATOM 0 HZ1 LYS A 100 12.633 10.654 -1.871 1.00 3.42 H new ATOM 0 HZ2 LYS A 100 14.325 10.676 -1.725 1.00 3.42 H new ATOM 0 HZ3 LYS A 100 13.580 11.382 -3.078 1.00 3.42 H new ATOM 1599 N THR A 101 11.739 9.364 2.699 1.00 61.23 N ATOM 1600 CA THR A 101 11.504 10.415 3.712 1.00 24.21 C ATOM 1601 C THR A 101 11.148 9.786 5.074 1.00 50.44 C ATOM 1602 O THR A 101 11.808 10.060 6.081 1.00 11.11 O ATOM 1603 CB THR A 101 10.421 11.472 3.254 1.00 54.34 C ATOM 1604 OG1 THR A 101 10.358 12.560 4.195 1.00 23.24 O ATOM 1605 CG2 THR A 101 9.009 10.887 3.070 1.00 3.24 C ATOM 0 H THR A 101 10.897 9.058 2.212 1.00 61.23 H new ATOM 0 HA THR A 101 12.436 10.969 3.825 1.00 24.21 H new ATOM 0 HB THR A 101 10.749 11.820 2.275 1.00 54.34 H new ATOM 0 HG1 THR A 101 9.685 13.209 3.900 1.00 23.24 H new ATOM 0 HG21 THR A 101 8.326 11.676 2.755 1.00 3.24 H new ATOM 0 HG22 THR A 101 9.035 10.106 2.310 1.00 3.24 H new ATOM 0 HG23 THR A 101 8.665 10.464 4.014 1.00 3.24 H new ATOM 1613 N ALA A 102 10.131 8.906 5.086 1.00 52.40 N ATOM 1614 CA ALA A 102 9.666 8.225 6.307 1.00 43.22 C ATOM 1615 C ALA A 102 10.597 7.047 6.644 1.00 11.31 C ATOM 1616 O ALA A 102 10.715 6.649 7.806 1.00 73.32 O ATOM 1617 CB ALA A 102 8.211 7.764 6.127 1.00 51.14 C ATOM 0 H ALA A 102 9.608 8.647 4.249 1.00 52.40 H new ATOM 0 HA ALA A 102 9.696 8.921 7.145 1.00 43.22 H new ATOM 0 HB1 ALA A 102 7.874 7.261 7.033 1.00 51.14 H new ATOM 0 HB2 ALA A 102 7.576 8.629 5.934 1.00 51.14 H new ATOM 0 HB3 ALA A 102 8.149 7.074 5.285 1.00 51.14 H new