USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 994 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 LYS NZ :NH3+ -106:sc= 0.176 (180deg=0) USER MOD Set 1.2: A 122 HIS : no HE2:sc= 0.457 K(o=0.63,f=-1) USER MOD Set 2.1: A 107 SER OG : rot -69:sc= 0.392 USER MOD Set 2.2: A 113 THR OG1 : rot 123:sc= 0.0732 USER MOD Set 3.1: A 81 THR OG1 : rot 50:sc= 0.314 USER MOD Set 3.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 73 HIS : no HE2:sc= -1.5! C(o=-2.6!,f=-10!) USER MOD Set 4.2: A 85 SER OG : rot 166:sc= -1.1 USER MOD Set 5.1: A 67 TYR OH : rot 150:sc= 0 USER MOD Set 5.2: A 69 LYS NZ :NH3+ -127:sc= -0.224 (180deg=-0.83) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0585 K(o=-0.059,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -60:sc= -0.522 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 54:sc= -3.62! USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= -1.24! (180deg=-1.41!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.981 F(o=-3,f=-0.98) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -10:sc= 0.839 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 82 TYR OH : rot 51:sc= -4.69! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 113:sc= 0.742 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.18 K(o=-2.2,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.192 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0.0134 K(o=0.013,f=-0.55) USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.0104 (180deg=-0.231) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.75) USER MOD Single : A 146 LYS NZ :NH3+ 171:sc=-0.00648 (180deg=-0.0851) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.780 -1.470 17.593 1.00 0.00 N ATOM 9 CA VAL A 3 -6.299 -1.550 17.453 1.00 0.00 C ATOM 10 C VAL A 3 -5.804 -0.381 16.597 1.00 0.00 C ATOM 11 O VAL A 3 -6.404 -0.031 15.600 1.00 0.00 O ATOM 12 CB VAL A 3 -5.919 -2.870 16.779 1.00 0.00 C ATOM 13 CG1 VAL A 3 -4.396 -2.962 16.659 1.00 0.00 C ATOM 14 CG2 VAL A 3 -6.436 -4.039 17.620 1.00 0.00 C ATOM 0 HA VAL A 3 -5.839 -1.500 18.440 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.365 -2.912 15.785 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.125 -3.902 16.179 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.027 -2.129 16.060 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.950 -2.920 17.652 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.166 -4.980 17.140 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.991 -3.997 18.614 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.521 -3.974 17.706 1.00 0.00 H new ATOM 24 N TYR A 4 -4.712 0.224 16.977 1.00 0.00 N ATOM 25 CA TYR A 4 -4.179 1.366 16.184 1.00 0.00 C ATOM 26 C TYR A 4 -3.263 0.836 15.079 1.00 0.00 C ATOM 27 O TYR A 4 -2.596 -0.166 15.241 1.00 0.00 O ATOM 28 CB TYR A 4 -3.386 2.300 17.101 1.00 0.00 C ATOM 29 CG TYR A 4 -2.962 3.525 16.328 1.00 0.00 C ATOM 30 CD1 TYR A 4 -3.851 4.594 16.167 1.00 0.00 C ATOM 31 CD2 TYR A 4 -1.679 3.593 15.772 1.00 0.00 C ATOM 32 CE1 TYR A 4 -3.458 5.730 15.450 1.00 0.00 C ATOM 33 CE2 TYR A 4 -1.287 4.729 15.054 1.00 0.00 C ATOM 34 CZ TYR A 4 -2.175 5.798 14.893 1.00 0.00 C ATOM 35 OH TYR A 4 -1.788 6.918 14.186 1.00 0.00 O ATOM 0 H TYR A 4 -4.166 -0.024 17.802 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.008 1.915 15.737 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.995 2.590 17.957 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.510 1.784 17.494 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.841 4.542 16.596 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.992 2.769 15.897 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.145 6.554 15.326 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.298 4.780 14.624 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.868 6.803 13.868 1.00 0.00 H new ATOM 45 N THR A 5 -3.225 1.501 13.957 1.00 0.00 N ATOM 46 CA THR A 5 -2.351 1.035 12.843 1.00 0.00 C ATOM 47 C THR A 5 -1.000 1.747 12.927 1.00 0.00 C ATOM 48 O THR A 5 -0.922 2.914 13.251 1.00 0.00 O ATOM 49 CB THR A 5 -3.018 1.358 11.505 1.00 0.00 C ATOM 50 OG1 THR A 5 -4.360 0.892 11.521 1.00 0.00 O ATOM 51 CG2 THR A 5 -2.252 0.673 10.372 1.00 0.00 C ATOM 0 H THR A 5 -3.761 2.347 13.763 1.00 0.00 H new ATOM 0 HA THR A 5 -2.200 -0.042 12.922 1.00 0.00 H new ATOM 0 HB THR A 5 -3.010 2.436 11.346 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.789 1.100 10.665 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.728 0.904 9.419 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.223 1.032 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.258 -0.406 10.529 1.00 0.00 H new ATOM 59 N TYR A 6 0.067 1.053 12.637 1.00 0.00 N ATOM 60 CA TYR A 6 1.411 1.692 12.704 1.00 0.00 C ATOM 61 C TYR A 6 2.082 1.620 11.331 1.00 0.00 C ATOM 62 O TYR A 6 1.984 0.631 10.631 1.00 0.00 O ATOM 63 CB TYR A 6 2.274 0.959 13.732 1.00 0.00 C ATOM 64 CG TYR A 6 1.620 1.046 15.090 1.00 0.00 C ATOM 65 CD1 TYR A 6 1.737 2.217 15.849 1.00 0.00 C ATOM 66 CD2 TYR A 6 0.897 -0.043 15.591 1.00 0.00 C ATOM 67 CE1 TYR A 6 1.131 2.299 17.109 1.00 0.00 C ATOM 68 CE2 TYR A 6 0.292 0.038 16.851 1.00 0.00 C ATOM 69 CZ TYR A 6 0.408 1.209 17.610 1.00 0.00 C ATOM 70 OH TYR A 6 -0.189 1.289 18.851 1.00 0.00 O ATOM 0 H TYR A 6 0.066 0.072 12.357 1.00 0.00 H new ATOM 0 HA TYR A 6 1.301 2.735 12.999 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.397 -0.084 13.442 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.270 1.400 13.767 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.295 3.057 15.463 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.806 -0.946 15.005 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.221 3.202 17.694 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.264 -0.803 17.238 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.651 0.447 19.047 1.00 0.00 H new ATOM 80 N GLU A 7 2.766 2.661 10.942 1.00 0.00 N ATOM 81 CA GLU A 7 3.447 2.656 9.617 1.00 0.00 C ATOM 82 C GLU A 7 4.961 2.598 9.828 1.00 0.00 C ATOM 83 O GLU A 7 5.506 3.284 10.671 1.00 0.00 O ATOM 84 CB GLU A 7 3.085 3.932 8.853 1.00 0.00 C ATOM 85 CG GLU A 7 3.723 3.894 7.463 1.00 0.00 C ATOM 86 CD GLU A 7 3.381 5.182 6.712 1.00 0.00 C ATOM 87 OE1 GLU A 7 2.771 6.051 7.313 1.00 0.00 O ATOM 88 OE2 GLU A 7 3.735 5.278 5.548 1.00 0.00 O ATOM 0 H GLU A 7 2.883 3.516 11.486 1.00 0.00 H new ATOM 0 HA GLU A 7 3.125 1.787 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.002 4.021 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.433 4.808 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.804 3.787 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.360 3.029 6.908 1.00 0.00 H new ATOM 95 N ASN A 8 5.647 1.783 9.073 1.00 0.00 N ATOM 96 CA ASN A 8 7.125 1.683 9.240 1.00 0.00 C ATOM 97 C ASN A 8 7.819 2.100 7.941 1.00 0.00 C ATOM 98 O ASN A 8 7.479 1.642 6.869 1.00 0.00 O ATOM 99 CB ASN A 8 7.502 0.240 9.578 1.00 0.00 C ATOM 100 CG ASN A 8 8.943 0.196 10.091 1.00 0.00 C ATOM 101 OD1 ASN A 8 9.418 1.145 10.685 1.00 0.00 O ATOM 102 ND2 ASN A 8 9.665 -0.871 9.886 1.00 0.00 N ATOM 0 H ASN A 8 5.249 1.184 8.350 1.00 0.00 H new ATOM 0 HA ASN A 8 7.443 2.342 10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.824 -0.157 10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.400 -0.390 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.627 -0.909 10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.268 -1.668 9.388 1.00 0.00 H new ATOM 109 N GLU A 9 8.794 2.963 8.031 1.00 0.00 N ATOM 110 CA GLU A 9 9.514 3.407 6.805 1.00 0.00 C ATOM 111 C GLU A 9 10.944 2.863 6.835 1.00 0.00 C ATOM 112 O GLU A 9 11.754 3.263 7.647 1.00 0.00 O ATOM 113 CB GLU A 9 9.553 4.936 6.759 1.00 0.00 C ATOM 114 CG GLU A 9 8.126 5.484 6.804 1.00 0.00 C ATOM 115 CD GLU A 9 8.164 7.012 6.746 1.00 0.00 C ATOM 116 OE1 GLU A 9 9.241 7.564 6.903 1.00 0.00 O ATOM 117 OE2 GLU A 9 7.117 7.605 6.545 1.00 0.00 O ATOM 0 H GLU A 9 9.123 3.380 8.902 1.00 0.00 H new ATOM 0 HA GLU A 9 8.996 3.032 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.129 5.321 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.054 5.270 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.548 5.092 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.628 5.156 7.717 1.00 0.00 H new ATOM 124 N PHE A 10 11.262 1.949 5.958 1.00 0.00 N ATOM 125 CA PHE A 10 12.638 1.380 5.942 1.00 0.00 C ATOM 126 C PHE A 10 13.224 1.497 4.534 1.00 0.00 C ATOM 127 O PHE A 10 12.600 1.128 3.558 1.00 0.00 O ATOM 128 CB PHE A 10 12.584 -0.092 6.353 1.00 0.00 C ATOM 129 CG PHE A 10 13.944 -0.721 6.163 1.00 0.00 C ATOM 130 CD1 PHE A 10 14.286 -1.292 4.931 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.863 -0.736 7.220 1.00 0.00 C ATOM 132 CE1 PHE A 10 15.546 -1.876 4.755 1.00 0.00 C ATOM 133 CE2 PHE A 10 16.124 -1.319 7.044 1.00 0.00 C ATOM 134 CZ PHE A 10 16.465 -1.890 5.811 1.00 0.00 C ATOM 0 H PHE A 10 10.628 1.573 5.253 1.00 0.00 H new ATOM 0 HA PHE A 10 13.267 1.930 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.275 -0.178 7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.841 -0.620 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.577 -1.282 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.599 -0.298 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.809 -2.316 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.833 -1.328 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.437 -2.341 5.675 1.00 0.00 H new ATOM 144 N THR A 11 14.420 2.007 4.419 1.00 0.00 N ATOM 145 CA THR A 11 15.047 2.146 3.075 1.00 0.00 C ATOM 146 C THR A 11 15.916 0.918 2.792 1.00 0.00 C ATOM 147 O THR A 11 16.432 0.292 3.695 1.00 0.00 O ATOM 148 CB THR A 11 15.915 3.405 3.046 1.00 0.00 C ATOM 149 OG1 THR A 11 17.117 3.165 3.765 1.00 0.00 O ATOM 150 CG2 THR A 11 15.157 4.567 3.691 1.00 0.00 C ATOM 0 H THR A 11 14.990 2.334 5.199 1.00 0.00 H new ATOM 0 HA THR A 11 14.270 2.225 2.315 1.00 0.00 H new ATOM 0 HB THR A 11 16.152 3.659 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.676 3.970 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.777 5.463 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.235 4.751 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.918 4.316 4.724 1.00 0.00 H new ATOM 158 N SER A 12 16.081 0.568 1.545 1.00 0.00 N ATOM 159 CA SER A 12 16.915 -0.621 1.211 1.00 0.00 C ATOM 160 C SER A 12 17.623 -0.395 -0.126 1.00 0.00 C ATOM 161 O SER A 12 17.260 0.474 -0.894 1.00 0.00 O ATOM 162 CB SER A 12 16.019 -1.857 1.109 1.00 0.00 C ATOM 163 OG SER A 12 15.173 -1.736 -0.025 1.00 0.00 O ATOM 0 H SER A 12 15.675 1.053 0.745 1.00 0.00 H new ATOM 0 HA SER A 12 17.660 -0.771 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.630 -2.756 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.420 -1.961 2.014 1.00 0.00 H new ATOM 0 HG SER A 12 14.614 -0.936 0.068 1.00 0.00 H new ATOM 169 N ASP A 13 18.632 -1.172 -0.410 1.00 0.00 N ATOM 170 CA ASP A 13 19.364 -1.007 -1.697 1.00 0.00 C ATOM 171 C ASP A 13 18.484 -1.492 -2.850 1.00 0.00 C ATOM 172 O ASP A 13 17.341 -1.857 -2.659 1.00 0.00 O ATOM 173 CB ASP A 13 20.654 -1.829 -1.657 1.00 0.00 C ATOM 174 CG ASP A 13 21.688 -1.114 -0.785 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.451 0.032 -0.439 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.698 -1.725 -0.477 1.00 0.00 O ATOM 0 H ASP A 13 18.981 -1.915 0.195 1.00 0.00 H new ATOM 0 HA ASP A 13 19.608 0.045 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.452 -2.823 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 13 21.044 -1.963 -2.666 1.00 0.00 H new ATOM 181 N ILE A 14 19.003 -1.498 -4.048 1.00 0.00 N ATOM 182 CA ILE A 14 18.191 -1.960 -5.209 1.00 0.00 C ATOM 183 C ILE A 14 16.994 -1.024 -5.389 1.00 0.00 C ATOM 184 O ILE A 14 16.415 -0.556 -4.429 1.00 0.00 O ATOM 185 CB ILE A 14 17.695 -3.384 -4.945 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.891 -4.297 -4.669 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.935 -3.894 -6.170 1.00 0.00 C ATOM 188 CD1 ILE A 14 19.140 -4.369 -3.161 1.00 0.00 C ATOM 0 H ILE A 14 19.953 -1.203 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 14 18.800 -1.951 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 14 17.031 -3.384 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.700 -5.294 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.777 -3.917 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.582 -4.908 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.083 -3.243 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.598 -3.895 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 14 19.992 -5.019 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.350 -3.370 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 14 18.256 -4.769 -2.665 1.00 0.00 H new ATOM 200 N PRO A 15 16.622 -0.741 -6.647 1.00 0.00 N ATOM 201 CA PRO A 15 15.496 0.148 -6.956 1.00 0.00 C ATOM 202 C PRO A 15 14.146 -0.474 -6.576 1.00 0.00 C ATOM 203 O PRO A 15 13.957 -1.672 -6.645 1.00 0.00 O ATOM 204 CB PRO A 15 15.593 0.339 -8.470 1.00 0.00 C ATOM 205 CG PRO A 15 16.311 -0.871 -8.958 1.00 0.00 C ATOM 206 CD PRO A 15 17.265 -1.266 -7.866 1.00 0.00 C ATOM 0 HA PRO A 15 15.548 1.082 -6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.605 0.423 -8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.137 1.250 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.611 -1.678 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.846 -0.658 -9.883 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.396 -2.347 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.253 -0.832 -8.019 1.00 0.00 H new ATOM 214 N ALA A 16 13.215 0.343 -6.164 1.00 0.00 N ATOM 215 CA ALA A 16 11.872 -0.166 -5.760 1.00 0.00 C ATOM 216 C ALA A 16 11.318 -1.169 -6.786 1.00 0.00 C ATOM 217 O ALA A 16 10.824 -2.215 -6.417 1.00 0.00 O ATOM 218 CB ALA A 16 10.906 1.013 -5.639 1.00 0.00 C ATOM 0 H ALA A 16 13.329 1.354 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 16 11.974 -0.679 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.922 0.648 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.275 1.710 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.831 1.522 -6.600 1.00 0.00 H new ATOM 224 N PRO A 17 11.370 -0.844 -8.093 1.00 0.00 N ATOM 225 CA PRO A 17 10.836 -1.732 -9.140 1.00 0.00 C ATOM 226 C PRO A 17 11.582 -3.069 -9.226 1.00 0.00 C ATOM 227 O PRO A 17 10.974 -4.117 -9.313 1.00 0.00 O ATOM 228 CB PRO A 17 11.026 -0.925 -10.426 1.00 0.00 C ATOM 229 CG PRO A 17 12.134 0.017 -10.109 1.00 0.00 C ATOM 230 CD PRO A 17 11.947 0.388 -8.666 1.00 0.00 C ATOM 0 HA PRO A 17 9.800 -2.007 -8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.281 -1.570 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.116 -0.391 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.105 -0.451 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.094 0.899 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.891 0.654 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.279 1.242 -8.549 1.00 0.00 H new ATOM 238 N LYS A 18 12.885 -3.052 -9.204 1.00 0.00 N ATOM 239 CA LYS A 18 13.638 -4.338 -9.286 1.00 0.00 C ATOM 240 C LYS A 18 13.338 -5.185 -8.048 1.00 0.00 C ATOM 241 O LYS A 18 13.270 -6.397 -8.115 1.00 0.00 O ATOM 242 CB LYS A 18 15.139 -4.056 -9.357 1.00 0.00 C ATOM 243 CG LYS A 18 15.471 -3.400 -10.700 1.00 0.00 C ATOM 244 CD LYS A 18 16.988 -3.249 -10.832 1.00 0.00 C ATOM 245 CE LYS A 18 17.310 -2.419 -12.075 1.00 0.00 C ATOM 246 NZ LYS A 18 17.160 -3.266 -13.292 1.00 0.00 N ATOM 0 H LYS A 18 13.459 -2.212 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 18 13.330 -4.877 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.436 -3.402 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.700 -4.984 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.082 -4.006 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.990 -2.424 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.395 -2.766 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.457 -4.230 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.643 -1.559 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.327 -2.031 -12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.379 -2.701 -14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.814 -4.073 -13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.182 -3.616 -13.353 1.00 0.00 H new ATOM 260 N LEU A 19 13.159 -4.559 -6.918 1.00 0.00 N ATOM 261 CA LEU A 19 12.866 -5.330 -5.676 1.00 0.00 C ATOM 262 C LEU A 19 11.381 -5.699 -5.637 1.00 0.00 C ATOM 263 O LEU A 19 10.996 -6.705 -5.076 1.00 0.00 O ATOM 264 CB LEU A 19 13.213 -4.477 -4.455 1.00 0.00 C ATOM 265 CG LEU A 19 12.970 -5.288 -3.181 1.00 0.00 C ATOM 266 CD1 LEU A 19 13.681 -6.638 -3.292 1.00 0.00 C ATOM 267 CD2 LEU A 19 13.518 -4.522 -1.976 1.00 0.00 C ATOM 0 H LEU A 19 13.203 -3.547 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 19 13.464 -6.241 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.255 -4.160 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.604 -3.573 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 19 11.900 -5.450 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.508 -7.216 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.291 -7.185 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.751 -6.476 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.345 -5.100 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.588 -4.360 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.012 -3.560 -1.896 1.00 0.00 H new ATOM 279 N PHE A 20 10.543 -4.890 -6.226 1.00 0.00 N ATOM 280 CA PHE A 20 9.083 -5.193 -6.217 1.00 0.00 C ATOM 281 C PHE A 20 8.822 -6.503 -6.964 1.00 0.00 C ATOM 282 O PHE A 20 7.968 -7.283 -6.588 1.00 0.00 O ATOM 283 CB PHE A 20 8.324 -4.055 -6.905 1.00 0.00 C ATOM 284 CG PHE A 20 6.845 -4.359 -6.894 1.00 0.00 C ATOM 285 CD1 PHE A 20 6.274 -5.095 -7.939 1.00 0.00 C ATOM 286 CD2 PHE A 20 6.045 -3.907 -5.838 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.902 -5.377 -7.929 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.674 -4.189 -5.828 1.00 0.00 C ATOM 289 CZ PHE A 20 4.103 -4.924 -6.873 1.00 0.00 C ATOM 0 H PHE A 20 10.806 -4.033 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 20 8.741 -5.292 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.516 -3.113 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.675 -3.937 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.891 -5.445 -8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.486 -3.341 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.461 -5.944 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.057 -3.839 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.045 -5.142 -6.865 1.00 0.00 H new ATOM 299 N LYS A 21 9.545 -6.752 -8.021 1.00 0.00 N ATOM 300 CA LYS A 21 9.332 -8.011 -8.791 1.00 0.00 C ATOM 301 C LYS A 21 9.713 -9.216 -7.928 1.00 0.00 C ATOM 302 O LYS A 21 9.030 -10.221 -7.912 1.00 0.00 O ATOM 303 CB LYS A 21 10.200 -7.994 -10.051 1.00 0.00 C ATOM 304 CG LYS A 21 9.948 -9.268 -10.859 1.00 0.00 C ATOM 305 CD LYS A 21 10.912 -9.319 -12.047 1.00 0.00 C ATOM 306 CE LYS A 21 10.533 -10.488 -12.959 1.00 0.00 C ATOM 307 NZ LYS A 21 9.495 -10.044 -13.931 1.00 0.00 N ATOM 0 H LYS A 21 10.274 -6.139 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 21 8.282 -8.086 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.968 -7.116 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.253 -7.925 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.086 -10.145 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.917 -9.289 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.872 -8.382 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.936 -9.436 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.414 -10.849 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.157 -11.320 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.237 -10.838 -14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.652 -9.720 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.870 -9.263 -14.507 1.00 0.00 H new ATOM 321 N ALA A 22 10.803 -9.129 -7.214 1.00 0.00 N ATOM 322 CA ALA A 22 11.225 -10.274 -6.359 1.00 0.00 C ATOM 323 C ALA A 22 10.481 -10.223 -5.023 1.00 0.00 C ATOM 324 O ALA A 22 10.226 -11.238 -4.406 1.00 0.00 O ATOM 325 CB ALA A 22 12.732 -10.192 -6.107 1.00 0.00 C ATOM 0 H ALA A 22 11.418 -8.316 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 22 10.989 -11.209 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.042 -11.029 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.263 -10.233 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.966 -9.255 -5.601 1.00 0.00 H new ATOM 331 N PHE A 23 10.135 -9.050 -4.570 1.00 0.00 N ATOM 332 CA PHE A 23 9.411 -8.938 -3.272 1.00 0.00 C ATOM 333 C PHE A 23 7.944 -9.332 -3.466 1.00 0.00 C ATOM 334 O PHE A 23 7.246 -9.642 -2.522 1.00 0.00 O ATOM 335 CB PHE A 23 9.488 -7.496 -2.769 1.00 0.00 C ATOM 336 CG PHE A 23 8.796 -7.392 -1.430 1.00 0.00 C ATOM 337 CD1 PHE A 23 7.428 -7.103 -1.370 1.00 0.00 C ATOM 338 CD2 PHE A 23 9.524 -7.584 -0.250 1.00 0.00 C ATOM 339 CE1 PHE A 23 6.787 -7.006 -0.127 1.00 0.00 C ATOM 340 CE2 PHE A 23 8.884 -7.487 0.991 1.00 0.00 C ATOM 341 CZ PHE A 23 7.516 -7.198 1.052 1.00 0.00 C ATOM 0 H PHE A 23 10.322 -8.165 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 23 9.871 -9.604 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.529 -7.187 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.018 -6.824 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.867 -6.955 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.580 -7.807 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.731 -6.783 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.446 -7.635 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.023 -7.123 2.010 1.00 0.00 H new ATOM 351 N VAL A 24 7.472 -9.322 -4.682 1.00 0.00 N ATOM 352 CA VAL A 24 6.051 -9.694 -4.931 1.00 0.00 C ATOM 353 C VAL A 24 5.995 -10.994 -5.737 1.00 0.00 C ATOM 354 O VAL A 24 5.554 -12.017 -5.253 1.00 0.00 O ATOM 355 CB VAL A 24 5.361 -8.578 -5.718 1.00 0.00 C ATOM 356 CG1 VAL A 24 3.898 -8.953 -5.958 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.429 -7.274 -4.919 1.00 0.00 C ATOM 0 H VAL A 24 8.008 -9.073 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 24 5.542 -9.836 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 24 5.864 -8.444 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.406 -8.158 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.849 -9.882 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.395 -9.087 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.938 -6.478 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.926 -7.408 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.472 -7.006 -4.747 1.00 0.00 H new ATOM 367 N LEU A 25 6.437 -10.960 -6.964 1.00 0.00 N ATOM 368 CA LEU A 25 6.407 -12.193 -7.800 1.00 0.00 C ATOM 369 C LEU A 25 7.207 -13.300 -7.112 1.00 0.00 C ATOM 370 O LEU A 25 6.801 -14.445 -7.083 1.00 0.00 O ATOM 371 CB LEU A 25 7.023 -11.896 -9.169 1.00 0.00 C ATOM 372 CG LEU A 25 6.800 -13.090 -10.098 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.325 -13.495 -10.063 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.189 -12.703 -11.527 1.00 0.00 C ATOM 0 H LEU A 25 6.817 -10.133 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 25 5.374 -12.518 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.572 -11.000 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.090 -11.697 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 25 7.414 -13.928 -9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.166 -14.346 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.047 -13.770 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.710 -12.658 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.030 -13.553 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.574 -11.866 -11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.240 -12.414 -11.552 1.00 0.00 H new ATOM 386 N ASP A 26 8.341 -12.971 -6.560 1.00 0.00 N ATOM 387 CA ASP A 26 9.166 -14.007 -5.876 1.00 0.00 C ATOM 388 C ASP A 26 8.880 -13.980 -4.373 1.00 0.00 C ATOM 389 O ASP A 26 9.596 -14.565 -3.586 1.00 0.00 O ATOM 390 CB ASP A 26 10.649 -13.720 -6.118 1.00 0.00 C ATOM 391 CG ASP A 26 10.948 -13.808 -7.616 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.108 -14.316 -8.340 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.014 -13.367 -8.013 1.00 0.00 O ATOM 0 H ASP A 26 8.733 -12.029 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 26 8.916 -14.990 -6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.904 -12.729 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.263 -14.436 -5.571 1.00 0.00 H new ATOM 398 N ALA A 27 7.840 -13.303 -3.969 1.00 0.00 N ATOM 399 CA ALA A 27 7.513 -13.239 -2.516 1.00 0.00 C ATOM 400 C ALA A 27 7.156 -14.638 -2.008 1.00 0.00 C ATOM 401 O ALA A 27 7.463 -14.999 -0.890 1.00 0.00 O ATOM 402 CB ALA A 27 6.323 -12.302 -2.303 1.00 0.00 C ATOM 0 H ALA A 27 7.204 -12.792 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 27 8.377 -12.864 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.083 -12.254 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.576 -11.305 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.461 -12.678 -2.853 1.00 0.00 H new ATOM 408 N ASP A 28 6.508 -15.427 -2.820 1.00 0.00 N ATOM 409 CA ASP A 28 6.129 -16.800 -2.382 1.00 0.00 C ATOM 410 C ASP A 28 7.392 -17.632 -2.149 1.00 0.00 C ATOM 411 O ASP A 28 7.437 -18.478 -1.279 1.00 0.00 O ATOM 412 CB ASP A 28 5.276 -17.463 -3.465 1.00 0.00 C ATOM 413 CG ASP A 28 3.938 -16.729 -3.579 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.628 -15.959 -2.686 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.247 -16.950 -4.560 1.00 0.00 O ATOM 0 H ASP A 28 6.224 -15.180 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 28 5.559 -16.739 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.799 -17.439 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.108 -18.512 -3.220 1.00 0.00 H new ATOM 420 N ASN A 29 8.419 -17.400 -2.920 1.00 0.00 N ATOM 421 CA ASN A 29 9.675 -18.181 -2.740 1.00 0.00 C ATOM 422 C ASN A 29 10.631 -17.410 -1.827 1.00 0.00 C ATOM 423 O ASN A 29 11.376 -17.989 -1.061 1.00 0.00 O ATOM 424 CB ASN A 29 10.339 -18.404 -4.101 1.00 0.00 C ATOM 425 CG ASN A 29 11.329 -19.566 -4.001 1.00 0.00 C ATOM 426 OD1 ASN A 29 11.261 -20.359 -3.084 1.00 0.00 O ATOM 427 ND2 ASN A 29 12.251 -19.701 -4.914 1.00 0.00 N ATOM 0 H ASN A 29 8.443 -16.704 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 29 9.440 -19.145 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.583 -18.620 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.856 -17.498 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.915 -20.473 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.308 -19.035 -5.684 1.00 0.00 H new ATOM 434 N LEU A 30 10.616 -16.108 -1.900 1.00 0.00 N ATOM 435 CA LEU A 30 11.526 -15.303 -1.036 1.00 0.00 C ATOM 436 C LEU A 30 11.141 -15.497 0.432 1.00 0.00 C ATOM 437 O LEU A 30 11.984 -15.712 1.281 1.00 0.00 O ATOM 438 CB LEU A 30 11.404 -13.823 -1.404 1.00 0.00 C ATOM 439 CG LEU A 30 12.735 -13.118 -1.131 1.00 0.00 C ATOM 440 CD1 LEU A 30 13.229 -13.485 0.269 1.00 0.00 C ATOM 441 CD2 LEU A 30 13.768 -13.562 -2.169 1.00 0.00 C ATOM 0 H LEU A 30 10.014 -15.566 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 30 12.554 -15.631 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.134 -13.720 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.608 -13.357 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 30 12.595 -12.039 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.177 -12.983 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.493 -13.170 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.370 -14.564 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.716 -13.061 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.908 -14.641 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.416 -13.301 -3.167 1.00 0.00 H new ATOM 453 N ILE A 31 9.876 -15.422 0.742 1.00 0.00 N ATOM 454 CA ILE A 31 9.445 -15.602 2.156 1.00 0.00 C ATOM 455 C ILE A 31 10.113 -16.855 2.734 1.00 0.00 C ATOM 456 O ILE A 31 10.831 -16.787 3.712 1.00 0.00 O ATOM 457 CB ILE A 31 7.918 -15.741 2.213 1.00 0.00 C ATOM 458 CG1 ILE A 31 7.279 -14.356 2.082 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.498 -16.366 3.546 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.044 -14.447 1.185 1.00 0.00 C ATOM 0 H ILE A 31 9.123 -15.244 0.077 1.00 0.00 H new ATOM 0 HA ILE A 31 9.742 -14.735 2.746 1.00 0.00 H new ATOM 0 HB ILE A 31 7.587 -16.382 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.000 -13.978 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.996 -13.651 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.413 -16.461 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.951 -17.352 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.831 -15.730 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.589 -13.461 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.337 -14.807 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.325 -15.138 1.625 1.00 0.00 H new ATOM 472 N PRO A 32 9.876 -18.021 2.111 1.00 0.00 N ATOM 473 CA PRO A 32 10.462 -19.291 2.563 1.00 0.00 C ATOM 474 C PRO A 32 11.976 -19.324 2.337 1.00 0.00 C ATOM 475 O PRO A 32 12.691 -20.081 2.965 1.00 0.00 O ATOM 476 CB PRO A 32 9.779 -20.334 1.677 1.00 0.00 C ATOM 477 CG PRO A 32 9.380 -19.579 0.455 1.00 0.00 C ATOM 478 CD PRO A 32 9.022 -18.198 0.923 1.00 0.00 C ATOM 0 HA PRO A 32 10.314 -19.457 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.456 -21.154 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.913 -20.772 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.195 -19.547 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.534 -20.055 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.229 -17.447 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.964 -18.117 1.171 1.00 0.00 H new ATOM 486 N LYS A 33 12.468 -18.509 1.446 1.00 0.00 N ATOM 487 CA LYS A 33 13.934 -18.489 1.178 1.00 0.00 C ATOM 488 C LYS A 33 14.672 -18.001 2.425 1.00 0.00 C ATOM 489 O LYS A 33 15.714 -18.512 2.782 1.00 0.00 O ATOM 490 CB LYS A 33 14.225 -17.545 0.011 1.00 0.00 C ATOM 491 CG LYS A 33 15.691 -17.683 -0.405 1.00 0.00 C ATOM 492 CD LYS A 33 15.878 -18.985 -1.187 1.00 0.00 C ATOM 493 CE LYS A 33 17.317 -19.069 -1.699 1.00 0.00 C ATOM 494 NZ LYS A 33 17.389 -20.049 -2.820 1.00 0.00 N ATOM 0 H LYS A 33 11.917 -17.854 0.890 1.00 0.00 H new ATOM 0 HA LYS A 33 14.272 -19.494 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.574 -17.779 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.014 -16.516 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.988 -16.832 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.332 -17.680 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.657 -19.840 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.180 -19.023 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.652 -18.088 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.984 -19.373 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.367 -20.107 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.086 -20.985 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.764 -19.740 -3.592 1.00 0.00 H new ATOM 508 N ILE A 34 14.137 -17.015 3.093 1.00 0.00 N ATOM 509 CA ILE A 34 14.807 -16.495 4.317 1.00 0.00 C ATOM 510 C ILE A 34 14.886 -17.608 5.363 1.00 0.00 C ATOM 511 O ILE A 34 15.790 -17.649 6.173 1.00 0.00 O ATOM 512 CB ILE A 34 14.002 -15.323 4.881 1.00 0.00 C ATOM 513 CG1 ILE A 34 13.833 -14.254 3.800 1.00 0.00 C ATOM 514 CG2 ILE A 34 14.741 -14.725 6.079 1.00 0.00 C ATOM 515 CD1 ILE A 34 15.204 -13.886 3.233 1.00 0.00 C ATOM 0 H ILE A 34 13.265 -16.548 2.843 1.00 0.00 H new ATOM 0 HA ILE A 34 15.812 -16.157 4.066 1.00 0.00 H new ATOM 0 HB ILE A 34 13.021 -15.676 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.186 -14.624 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.351 -13.371 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.167 -13.890 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 34 14.861 -15.487 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.722 -14.372 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.086 -13.124 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 34 15.836 -13.499 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.668 -14.772 2.800 1.00 0.00 H new ATOM 527 N ALA A 35 13.944 -18.510 5.352 1.00 0.00 N ATOM 528 CA ALA A 35 13.965 -19.619 6.346 1.00 0.00 C ATOM 529 C ALA A 35 13.177 -20.811 5.797 1.00 0.00 C ATOM 530 O ALA A 35 12.083 -21.099 6.240 1.00 0.00 O ATOM 531 CB ALA A 35 13.326 -19.142 7.651 1.00 0.00 C ATOM 0 H ALA A 35 13.161 -18.527 4.698 1.00 0.00 H new ATOM 0 HA ALA A 35 14.995 -19.921 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.340 -19.952 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.886 -18.292 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.295 -18.841 7.463 1.00 0.00 H new ATOM 537 N PRO A 36 13.752 -21.516 4.811 1.00 0.00 N ATOM 538 CA PRO A 36 13.110 -22.682 4.192 1.00 0.00 C ATOM 539 C PRO A 36 13.051 -23.875 5.150 1.00 0.00 C ATOM 540 O PRO A 36 12.139 -24.675 5.105 1.00 0.00 O ATOM 541 CB PRO A 36 14.022 -23.006 3.010 1.00 0.00 C ATOM 542 CG PRO A 36 15.352 -22.454 3.399 1.00 0.00 C ATOM 543 CD PRO A 36 15.072 -21.229 4.223 1.00 0.00 C ATOM 0 HA PRO A 36 12.078 -22.478 3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.075 -24.080 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.657 -22.549 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.925 -23.185 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.943 -22.204 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.831 -21.078 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.053 -20.327 3.611 1.00 0.00 H new ATOM 551 N GLN A 37 14.019 -24.000 6.017 1.00 0.00 N ATOM 552 CA GLN A 37 14.016 -25.140 6.976 1.00 0.00 C ATOM 553 C GLN A 37 12.905 -24.936 8.008 1.00 0.00 C ATOM 554 O GLN A 37 12.408 -25.877 8.595 1.00 0.00 O ATOM 555 CB GLN A 37 15.368 -25.209 7.689 1.00 0.00 C ATOM 556 CG GLN A 37 16.463 -25.549 6.677 1.00 0.00 C ATOM 557 CD GLN A 37 17.817 -25.598 7.387 1.00 0.00 C ATOM 558 OE1 GLN A 37 17.962 -25.084 8.479 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.820 -26.201 6.812 1.00 0.00 N ATOM 0 H GLN A 37 14.811 -23.362 6.102 1.00 0.00 H new ATOM 0 HA GLN A 37 13.842 -26.070 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.586 -24.256 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.338 -25.963 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.252 -26.509 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.484 -24.802 5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.698 -26.632 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.726 -26.241 7.279 1.00 0.00 H new ATOM 568 N ALA A 38 12.511 -23.712 8.234 1.00 0.00 N ATOM 569 CA ALA A 38 11.434 -23.448 9.227 1.00 0.00 C ATOM 570 C ALA A 38 10.083 -23.855 8.634 1.00 0.00 C ATOM 571 O ALA A 38 9.243 -24.418 9.308 1.00 0.00 O ATOM 572 CB ALA A 38 11.411 -21.958 9.571 1.00 0.00 C ATOM 0 H ALA A 38 12.889 -22.884 7.773 1.00 0.00 H new ATOM 0 HA ALA A 38 11.624 -24.027 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.622 -21.765 10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.373 -21.667 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.221 -21.379 8.667 1.00 0.00 H new ATOM 578 N VAL A 39 9.868 -23.575 7.377 1.00 0.00 N ATOM 579 CA VAL A 39 8.572 -23.946 6.744 1.00 0.00 C ATOM 580 C VAL A 39 8.812 -25.034 5.695 1.00 0.00 C ATOM 581 O VAL A 39 9.842 -25.073 5.053 1.00 0.00 O ATOM 582 CB VAL A 39 7.962 -22.716 6.072 1.00 0.00 C ATOM 583 CG1 VAL A 39 8.980 -22.102 5.109 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.708 -23.124 5.297 1.00 0.00 C ATOM 0 H VAL A 39 10.533 -23.106 6.763 1.00 0.00 H new ATOM 0 HA VAL A 39 7.888 -24.319 7.506 1.00 0.00 H new ATOM 0 HB VAL A 39 7.695 -21.983 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.545 -21.225 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.872 -21.808 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.249 -22.835 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.274 -22.246 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.973 -23.858 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.982 -23.559 5.983 1.00 0.00 H new ATOM 594 N LYS A 40 7.868 -25.916 5.515 1.00 0.00 N ATOM 595 CA LYS A 40 8.044 -26.999 4.507 1.00 0.00 C ATOM 596 C LYS A 40 7.858 -26.423 3.102 1.00 0.00 C ATOM 597 O LYS A 40 8.626 -26.698 2.201 1.00 0.00 O ATOM 598 CB LYS A 40 7.007 -28.098 4.750 1.00 0.00 C ATOM 599 CG LYS A 40 7.304 -29.289 3.835 1.00 0.00 C ATOM 600 CD LYS A 40 6.250 -30.377 4.055 1.00 0.00 C ATOM 601 CE LYS A 40 6.626 -31.621 3.246 1.00 0.00 C ATOM 602 NZ LYS A 40 5.406 -32.438 2.993 1.00 0.00 N ATOM 0 H LYS A 40 6.983 -25.934 6.022 1.00 0.00 H new ATOM 0 HA LYS A 40 9.045 -27.420 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.032 -28.412 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.005 -27.717 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.301 -28.970 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.298 -29.683 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.183 -30.625 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.268 -30.015 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.083 -31.328 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.365 -32.211 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.662 -33.283 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.988 -32.728 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.715 -31.874 2.459 1.00 0.00 H new ATOM 616 N CYS A 41 6.845 -25.624 2.907 1.00 0.00 N ATOM 617 CA CYS A 41 6.612 -25.032 1.559 1.00 0.00 C ATOM 618 C CYS A 41 5.334 -24.191 1.582 1.00 0.00 C ATOM 619 O CYS A 41 4.300 -24.628 2.046 1.00 0.00 O ATOM 620 CB CYS A 41 6.465 -26.155 0.529 1.00 0.00 C ATOM 621 SG CYS A 41 7.419 -25.745 -0.953 1.00 0.00 S ATOM 0 H CYS A 41 6.169 -25.356 3.622 1.00 0.00 H new ATOM 0 HA CYS A 41 7.457 -24.398 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.815 -27.097 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.415 -26.292 0.272 1.00 0.00 H new ATOM 0 HG CYS A 41 7.296 -26.700 -1.826 1.00 0.00 H new ATOM 627 N ALA A 42 5.397 -22.986 1.083 1.00 0.00 N ATOM 628 CA ALA A 42 4.185 -22.119 1.075 1.00 0.00 C ATOM 629 C ALA A 42 3.391 -22.371 -0.209 1.00 0.00 C ATOM 630 O ALA A 42 3.917 -22.292 -1.301 1.00 0.00 O ATOM 631 CB ALA A 42 4.608 -20.649 1.133 1.00 0.00 C ATOM 0 H ALA A 42 6.235 -22.565 0.681 1.00 0.00 H new ATOM 0 HA ALA A 42 3.564 -22.352 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.722 -20.015 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.176 -20.470 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.228 -20.414 0.268 1.00 0.00 H new ATOM 637 N GLU A 43 2.128 -22.676 -0.088 1.00 0.00 N ATOM 638 CA GLU A 43 1.305 -22.935 -1.302 1.00 0.00 C ATOM 639 C GLU A 43 0.131 -21.954 -1.347 1.00 0.00 C ATOM 640 O GLU A 43 -0.358 -21.510 -0.327 1.00 0.00 O ATOM 641 CB GLU A 43 0.769 -24.368 -1.259 1.00 0.00 C ATOM 642 CG GLU A 43 1.940 -25.351 -1.212 1.00 0.00 C ATOM 643 CD GLU A 43 1.404 -26.783 -1.240 1.00 0.00 C ATOM 644 OE1 GLU A 43 0.203 -26.948 -1.109 1.00 0.00 O ATOM 645 OE2 GLU A 43 2.205 -27.692 -1.391 1.00 0.00 O ATOM 0 H GLU A 43 1.631 -22.757 0.799 1.00 0.00 H new ATOM 0 HA GLU A 43 1.922 -22.802 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.132 -24.503 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.152 -24.563 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.604 -25.183 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.529 -25.189 -0.309 1.00 0.00 H new ATOM 652 N ILE A 44 -0.325 -21.616 -2.522 1.00 0.00 N ATOM 653 CA ILE A 44 -1.468 -20.665 -2.634 1.00 0.00 C ATOM 654 C ILE A 44 -2.730 -21.433 -3.034 1.00 0.00 C ATOM 655 O ILE A 44 -2.775 -22.079 -4.062 1.00 0.00 O ATOM 656 CB ILE A 44 -1.152 -19.612 -3.697 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.181 -18.939 -3.369 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.263 -18.560 -3.719 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.560 -17.978 -4.498 1.00 0.00 C ATOM 0 H ILE A 44 0.044 -21.957 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.630 -20.174 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.086 -20.091 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.104 -18.397 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.959 -19.692 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.038 -17.809 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.213 -19.039 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.330 -18.081 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.510 -17.498 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.654 -18.533 -5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.214 -17.218 -4.604 1.00 0.00 H new ATOM 671 N LEU A 45 -3.755 -21.367 -2.230 1.00 0.00 N ATOM 672 CA LEU A 45 -5.012 -22.094 -2.566 1.00 0.00 C ATOM 673 C LEU A 45 -5.641 -21.475 -3.815 1.00 0.00 C ATOM 674 O LEU A 45 -6.085 -22.170 -4.707 1.00 0.00 O ATOM 675 CB LEU A 45 -5.991 -21.985 -1.395 1.00 0.00 C ATOM 676 CG LEU A 45 -5.475 -22.817 -0.220 1.00 0.00 C ATOM 677 CD1 LEU A 45 -4.368 -22.047 0.503 1.00 0.00 C ATOM 678 CD2 LEU A 45 -6.624 -23.091 0.754 1.00 0.00 C ATOM 0 H LEU A 45 -3.777 -20.842 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.786 -23.143 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.102 -20.943 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.977 -22.336 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.078 -23.762 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.000 -22.640 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.550 -21.850 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.765 -21.102 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.257 -23.684 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.020 -22.146 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.414 -23.639 0.240 1.00 0.00 H new ATOM 690 N GLU A 46 -5.683 -20.172 -3.887 1.00 0.00 N ATOM 691 CA GLU A 46 -6.283 -19.509 -5.080 1.00 0.00 C ATOM 692 C GLU A 46 -5.769 -18.071 -5.177 1.00 0.00 C ATOM 693 O GLU A 46 -5.338 -17.488 -4.202 1.00 0.00 O ATOM 694 CB GLU A 46 -7.808 -19.496 -4.945 1.00 0.00 C ATOM 695 CG GLU A 46 -8.330 -20.934 -4.917 1.00 0.00 C ATOM 696 CD GLU A 46 -9.860 -20.920 -4.945 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.426 -19.848 -4.818 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.439 -21.984 -5.093 1.00 0.00 O ATOM 0 H GLU A 46 -5.328 -19.538 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.002 -20.058 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.099 -18.975 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.253 -18.952 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.945 -21.489 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.976 -21.444 -4.021 1.00 0.00 H new ATOM 705 N GLY A 47 -5.811 -17.494 -6.348 1.00 0.00 N ATOM 706 CA GLY A 47 -5.326 -16.096 -6.507 1.00 0.00 C ATOM 707 C GLY A 47 -3.938 -16.108 -7.153 1.00 0.00 C ATOM 708 O GLY A 47 -3.630 -15.295 -8.001 1.00 0.00 O ATOM 0 H GLY A 47 -6.161 -17.932 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.021 -15.526 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.283 -15.602 -5.536 1.00 0.00 H new ATOM 712 N ASP A 48 -3.099 -17.026 -6.758 1.00 0.00 N ATOM 713 CA ASP A 48 -1.733 -17.092 -7.351 1.00 0.00 C ATOM 714 C ASP A 48 -1.012 -15.763 -7.119 1.00 0.00 C ATOM 715 O ASP A 48 -0.319 -15.263 -7.983 1.00 0.00 O ATOM 716 CB ASP A 48 -1.841 -17.359 -8.853 1.00 0.00 C ATOM 717 CG ASP A 48 -0.452 -17.658 -9.419 1.00 0.00 C ATOM 718 OD1 ASP A 48 0.487 -17.703 -8.640 1.00 0.00 O ATOM 719 OD2 ASP A 48 -0.349 -17.836 -10.621 1.00 0.00 O ATOM 0 H ASP A 48 -3.300 -17.733 -6.051 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.170 -17.898 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.509 -18.201 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.272 -16.494 -9.357 1.00 0.00 H new ATOM 724 N GLY A 49 -1.168 -15.185 -5.959 1.00 0.00 N ATOM 725 CA GLY A 49 -0.490 -13.890 -5.674 1.00 0.00 C ATOM 726 C GLY A 49 -1.335 -12.738 -6.223 1.00 0.00 C ATOM 727 O GLY A 49 -0.818 -11.732 -6.668 1.00 0.00 O ATOM 0 H GLY A 49 -1.736 -15.554 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.348 -13.771 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.500 -13.878 -6.130 1.00 0.00 H new ATOM 731 N GLY A 50 -2.633 -12.877 -6.196 1.00 0.00 N ATOM 732 CA GLY A 50 -3.509 -11.790 -6.717 1.00 0.00 C ATOM 733 C GLY A 50 -4.424 -11.295 -5.595 1.00 0.00 C ATOM 734 O GLY A 50 -4.224 -11.604 -4.438 1.00 0.00 O ATOM 0 H GLY A 50 -3.124 -13.696 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.902 -10.968 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.105 -12.157 -7.553 1.00 0.00 H new ATOM 738 N PRO A 51 -5.451 -10.509 -5.953 1.00 0.00 N ATOM 739 CA PRO A 51 -6.407 -9.964 -4.980 1.00 0.00 C ATOM 740 C PRO A 51 -7.304 -11.058 -4.394 1.00 0.00 C ATOM 741 O PRO A 51 -7.898 -11.837 -5.112 1.00 0.00 O ATOM 742 CB PRO A 51 -7.242 -8.989 -5.809 1.00 0.00 C ATOM 743 CG PRO A 51 -7.134 -9.496 -7.208 1.00 0.00 C ATOM 744 CD PRO A 51 -5.759 -10.090 -7.331 1.00 0.00 C ATOM 0 HA PRO A 51 -5.909 -9.501 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.279 -8.970 -5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.861 -7.971 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.901 -10.243 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.276 -8.689 -7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.745 -10.933 -8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.037 -9.362 -7.702 1.00 0.00 H new ATOM 752 N GLY A 52 -7.404 -11.124 -3.095 1.00 0.00 N ATOM 753 CA GLY A 52 -8.259 -12.169 -2.466 1.00 0.00 C ATOM 754 C GLY A 52 -7.579 -13.531 -2.607 1.00 0.00 C ATOM 755 O GLY A 52 -8.225 -14.560 -2.622 1.00 0.00 O ATOM 0 H GLY A 52 -6.931 -10.499 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.421 -11.938 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.239 -12.188 -2.942 1.00 0.00 H new ATOM 759 N THR A 53 -6.278 -13.546 -2.712 1.00 0.00 N ATOM 760 CA THR A 53 -5.555 -14.841 -2.854 1.00 0.00 C ATOM 761 C THR A 53 -5.434 -15.512 -1.485 1.00 0.00 C ATOM 762 O THR A 53 -5.269 -14.857 -0.474 1.00 0.00 O ATOM 763 CB THR A 53 -4.157 -14.585 -3.421 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.270 -13.972 -4.698 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.407 -15.911 -3.553 1.00 0.00 C ATOM 0 H THR A 53 -5.684 -12.716 -2.706 1.00 0.00 H new ATOM 0 HA THR A 53 -6.108 -15.493 -3.530 1.00 0.00 H new ATOM 0 HB THR A 53 -3.607 -13.926 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.829 -13.170 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.411 -15.727 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.320 -16.379 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.954 -16.573 -4.224 1.00 0.00 H new ATOM 773 N ILE A 54 -5.512 -16.814 -1.443 1.00 0.00 N ATOM 774 CA ILE A 54 -5.399 -17.527 -0.140 1.00 0.00 C ATOM 775 C ILE A 54 -4.125 -18.373 -0.135 1.00 0.00 C ATOM 776 O ILE A 54 -3.867 -19.129 -1.050 1.00 0.00 O ATOM 777 CB ILE A 54 -6.616 -18.434 0.053 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.896 -17.603 -0.058 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.551 -19.088 1.435 1.00 0.00 C ATOM 780 CD1 ILE A 54 -9.113 -18.524 0.044 1.00 0.00 C ATOM 0 H ILE A 54 -5.649 -17.415 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.357 -16.800 0.671 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.617 -19.207 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.926 -16.854 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.912 -17.065 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.418 -19.734 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.640 -19.681 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.549 -18.315 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.025 -17.932 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.084 -19.256 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.098 -19.041 1.003 1.00 0.00 H new ATOM 792 N LYS A 55 -3.323 -18.251 0.887 1.00 0.00 N ATOM 793 CA LYS A 55 -2.065 -19.047 0.945 1.00 0.00 C ATOM 794 C LYS A 55 -2.027 -19.855 2.243 1.00 0.00 C ATOM 795 O LYS A 55 -2.563 -19.448 3.255 1.00 0.00 O ATOM 796 CB LYS A 55 -0.862 -18.104 0.894 1.00 0.00 C ATOM 797 CG LYS A 55 -1.020 -17.139 -0.283 1.00 0.00 C ATOM 798 CD LYS A 55 0.218 -16.248 -0.382 1.00 0.00 C ATOM 799 CE LYS A 55 0.223 -15.252 0.779 1.00 0.00 C ATOM 800 NZ LYS A 55 1.463 -15.436 1.586 1.00 0.00 N ATOM 0 H LYS A 55 -3.484 -17.635 1.684 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.029 -19.729 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.784 -17.546 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.059 -18.677 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.154 -17.698 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.912 -16.527 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.121 -16.858 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.221 -15.715 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.173 -14.232 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.657 -15.402 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.552 -14.656 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.413 -16.340 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.290 -15.440 0.956 1.00 0.00 H new ATOM 814 N LYS A 56 -1.394 -20.996 2.222 1.00 0.00 N ATOM 815 CA LYS A 56 -1.319 -21.831 3.454 1.00 0.00 C ATOM 816 C LYS A 56 0.132 -22.253 3.693 1.00 0.00 C ATOM 817 O LYS A 56 0.775 -22.813 2.827 1.00 0.00 O ATOM 818 CB LYS A 56 -2.192 -23.075 3.279 1.00 0.00 C ATOM 819 CG LYS A 56 -2.179 -23.895 4.571 1.00 0.00 C ATOM 820 CD LYS A 56 -3.090 -25.114 4.409 1.00 0.00 C ATOM 821 CE LYS A 56 -2.497 -26.058 3.360 1.00 0.00 C ATOM 822 NZ LYS A 56 -1.859 -27.219 4.042 1.00 0.00 N ATOM 0 H LYS A 56 -0.925 -21.386 1.404 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.675 -21.256 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.213 -22.784 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.822 -23.678 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.163 -24.215 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.518 -23.283 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.195 -25.632 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.088 -24.798 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.278 -26.404 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.761 -25.529 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.456 -27.861 3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.103 -26.880 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.573 -27.728 4.602 1.00 0.00 H new ATOM 836 N ILE A 57 0.654 -21.990 4.859 1.00 0.00 N ATOM 837 CA ILE A 57 2.065 -22.376 5.148 1.00 0.00 C ATOM 838 C ILE A 57 2.090 -23.436 6.251 1.00 0.00 C ATOM 839 O ILE A 57 1.427 -23.311 7.262 1.00 0.00 O ATOM 840 CB ILE A 57 2.846 -21.144 5.608 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.676 -20.018 4.588 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.330 -21.500 5.730 1.00 0.00 C ATOM 843 CD1 ILE A 57 3.089 -18.689 5.222 1.00 0.00 C ATOM 0 H ILE A 57 0.165 -21.525 5.624 1.00 0.00 H new ATOM 0 HA ILE A 57 2.522 -22.781 4.245 1.00 0.00 H new ATOM 0 HB ILE A 57 2.467 -20.815 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.285 -20.217 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.639 -19.968 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.889 -20.623 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.453 -22.302 6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.706 -21.829 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.968 -17.886 4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.462 -18.490 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.132 -18.743 5.533 1.00 0.00 H new ATOM 855 N THR A 58 2.854 -24.479 6.065 1.00 0.00 N ATOM 856 CA THR A 58 2.925 -25.547 7.102 1.00 0.00 C ATOM 857 C THR A 58 4.340 -25.596 7.683 1.00 0.00 C ATOM 858 O THR A 58 5.316 -25.627 6.961 1.00 0.00 O ATOM 859 CB THR A 58 2.587 -26.897 6.467 1.00 0.00 C ATOM 860 OG1 THR A 58 1.299 -26.829 5.872 1.00 0.00 O ATOM 861 CG2 THR A 58 2.599 -27.985 7.541 1.00 0.00 C ATOM 0 H THR A 58 3.432 -24.637 5.239 1.00 0.00 H new ATOM 0 HA THR A 58 2.212 -25.332 7.897 1.00 0.00 H new ATOM 0 HB THR A 58 3.328 -27.136 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.082 -27.693 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.358 -28.946 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.588 -28.036 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.859 -27.749 8.306 1.00 0.00 H new ATOM 869 N PHE A 59 4.459 -25.603 8.982 1.00 0.00 N ATOM 870 CA PHE A 59 5.812 -25.650 9.606 1.00 0.00 C ATOM 871 C PHE A 59 6.040 -27.028 10.230 1.00 0.00 C ATOM 872 O PHE A 59 5.136 -27.632 10.771 1.00 0.00 O ATOM 873 CB PHE A 59 5.910 -24.576 10.691 1.00 0.00 C ATOM 874 CG PHE A 59 5.675 -23.217 10.075 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.739 -22.520 9.490 1.00 0.00 C ATOM 876 CD2 PHE A 59 4.394 -22.653 10.091 1.00 0.00 C ATOM 877 CE1 PHE A 59 6.522 -21.260 8.919 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.176 -21.394 9.519 1.00 0.00 C ATOM 879 CZ PHE A 59 5.239 -20.697 8.934 1.00 0.00 C ATOM 0 H PHE A 59 3.679 -25.578 9.638 1.00 0.00 H new ATOM 0 HA PHE A 59 6.570 -25.468 8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.174 -24.765 11.473 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.892 -24.609 11.163 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.728 -22.954 9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.574 -23.189 10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.343 -20.723 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.187 -20.960 9.529 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.071 -19.725 8.494 1.00 0.00 H new ATOM 974 N TYR A 67 0.744 -23.965 11.771 1.00 0.00 N ATOM 975 CA TYR A 67 0.676 -23.498 10.357 1.00 0.00 C ATOM 976 C TYR A 67 0.048 -22.103 10.310 1.00 0.00 C ATOM 977 O TYR A 67 -0.811 -21.771 11.103 1.00 0.00 O ATOM 978 CB TYR A 67 -0.178 -24.470 9.539 1.00 0.00 C ATOM 979 CG TYR A 67 -1.627 -24.326 9.934 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.129 -25.038 11.031 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.472 -23.480 9.204 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.474 -24.904 11.396 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.816 -23.346 9.570 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.317 -24.059 10.666 1.00 0.00 C ATOM 985 OH TYR A 67 -5.643 -23.927 11.027 1.00 0.00 O ATOM 0 HA TYR A 67 1.682 -23.458 9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.059 -24.268 8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.156 -25.494 9.708 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.479 -25.690 11.595 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.086 -22.931 8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.861 -25.453 12.242 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.467 -22.693 9.007 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.959 -23.030 10.789 1.00 0.00 H new ATOM 995 N VAL A 68 0.470 -21.284 9.386 1.00 0.00 N ATOM 996 CA VAL A 68 -0.101 -19.911 9.287 1.00 0.00 C ATOM 997 C VAL A 68 -0.626 -19.680 7.868 1.00 0.00 C ATOM 998 O VAL A 68 -0.058 -20.149 6.902 1.00 0.00 O ATOM 999 CB VAL A 68 0.986 -18.883 9.603 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.380 -17.477 9.581 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.570 -19.166 10.988 1.00 0.00 C ATOM 0 H VAL A 68 1.186 -21.507 8.695 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.919 -19.804 9.999 1.00 0.00 H new ATOM 0 HB VAL A 68 1.777 -18.949 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.154 -16.744 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.035 -17.275 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.411 -17.410 10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.345 -18.433 11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.780 -19.100 11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.002 -20.167 11.003 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.706 -18.959 7.733 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.263 -18.699 6.376 1.00 0.00 C ATOM 1013 C LYS A 69 -2.201 -17.200 6.075 1.00 0.00 C ATOM 1014 O LYS A 69 -2.402 -16.374 6.943 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.719 -19.169 6.323 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.775 -20.680 6.556 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.219 -21.164 6.412 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.294 -22.654 6.750 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.354 -22.878 7.773 1.00 0.00 N ATOM 0 H LYS A 69 -2.226 -18.539 8.504 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.677 -19.242 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.307 -18.651 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.157 -18.923 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.135 -21.193 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.397 -20.920 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.872 -20.597 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.571 -20.993 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.513 -23.231 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.332 -23.002 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.956 -23.406 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.714 -21.961 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.133 -23.424 7.352 1.00 0.00 H new ATOM 1033 N HIS A 70 -1.927 -16.842 4.850 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.855 -15.396 4.495 1.00 0.00 C ATOM 1035 C HIS A 70 -2.837 -15.101 3.360 1.00 0.00 C ATOM 1036 O HIS A 70 -3.023 -15.901 2.464 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.434 -15.054 4.042 1.00 0.00 C ATOM 1038 CG HIS A 70 0.513 -15.205 5.200 1.00 0.00 C ATOM 1039 ND1 HIS A 70 1.232 -16.279 5.663 1.00 0.00 N flip ATOM 1040 CD2 HIS A 70 0.815 -14.153 6.050 1.00 0.00 C flip ATOM 1041 CE1 HIS A 70 1.971 -15.901 6.781 1.00 0.00 C flip ATOM 1042 NE2 HIS A 70 1.682 -14.611 6.972 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.750 -17.488 4.080 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.114 -14.793 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.134 -15.710 3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.398 -14.034 3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.425 -13.148 5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.635 -16.518 7.368 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.071 -14.043 7.724 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.468 -13.960 3.391 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.438 -13.616 2.312 1.00 0.00 C ATOM 1052 C LYS A 71 -4.036 -12.288 1.668 1.00 0.00 C ATOM 1053 O LYS A 71 -3.612 -11.366 2.334 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.840 -13.489 2.911 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.855 -13.273 1.786 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.231 -12.983 2.390 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.282 -12.962 1.279 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.078 -14.220 1.323 1.00 0.00 N ATOM 0 H LYS A 71 -3.355 -13.251 4.116 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.435 -14.401 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.090 -14.388 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.874 -12.655 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.541 -12.443 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.904 -14.157 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.483 -13.743 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.217 -12.025 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.938 -12.100 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.798 -12.859 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.792 -14.205 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.447 -15.035 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.551 -14.299 2.246 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.166 -12.184 0.373 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.793 -10.916 -0.315 1.00 0.00 C ATOM 1074 C ILE A 72 -5.057 -10.109 -0.615 1.00 0.00 C ATOM 1075 O ILE A 72 -6.037 -10.632 -1.110 1.00 0.00 O ATOM 1076 CB ILE A 72 -3.071 -11.240 -1.625 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.878 -12.154 -1.338 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.576 -9.943 -2.268 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.260 -12.615 -2.659 1.00 0.00 C ATOM 0 H ILE A 72 -4.514 -12.923 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.134 -10.333 0.328 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.759 -11.743 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.135 -11.624 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.199 -13.016 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.062 -10.173 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.425 -9.291 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.888 -9.440 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.410 -13.266 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.005 -13.161 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.924 -11.747 -3.226 1.00 0.00 H new ATOM 1091 N HIS A 73 -5.047 -8.839 -0.319 1.00 0.00 N ATOM 1092 CA HIS A 73 -6.250 -8.000 -0.587 1.00 0.00 C ATOM 1093 C HIS A 73 -6.151 -7.395 -1.989 1.00 0.00 C ATOM 1094 O HIS A 73 -7.084 -7.451 -2.765 1.00 0.00 O ATOM 1095 CB HIS A 73 -6.332 -6.878 0.449 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.684 -7.458 1.791 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.909 -8.060 2.037 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.985 -7.537 2.970 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.909 -8.470 3.319 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.760 -8.176 3.933 1.00 0.00 N ATOM 0 H HIS A 73 -4.258 -8.345 0.097 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.145 -8.619 -0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.379 -6.352 0.507 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.082 -6.146 0.149 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.671 -8.172 1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.985 -7.160 3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.737 -8.975 3.793 1.00 0.00 H new ATOM 1108 N SER A 74 -5.029 -6.816 -2.319 1.00 0.00 N ATOM 1109 CA SER A 74 -4.878 -6.207 -3.671 1.00 0.00 C ATOM 1110 C SER A 74 -3.398 -5.935 -3.950 1.00 0.00 C ATOM 1111 O SER A 74 -2.607 -5.754 -3.045 1.00 0.00 O ATOM 1112 CB SER A 74 -5.657 -4.892 -3.729 1.00 0.00 C ATOM 1113 OG SER A 74 -7.048 -5.161 -3.634 1.00 0.00 O ATOM 0 H SER A 74 -4.212 -6.738 -1.713 1.00 0.00 H new ATOM 0 HA SER A 74 -5.268 -6.894 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.346 -4.237 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.440 -4.369 -4.660 1.00 0.00 H new ATOM 0 HG SER A 74 -7.201 -6.125 -3.719 1.00 0.00 H new ATOM 1119 N ILE A 75 -3.018 -5.903 -5.198 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.592 -5.639 -5.540 1.00 0.00 C ATOM 1121 C ILE A 75 -1.521 -4.547 -6.608 1.00 0.00 C ATOM 1122 O ILE A 75 -2.366 -4.460 -7.477 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.950 -6.920 -6.077 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.548 -7.257 -7.444 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -1.221 -8.072 -5.106 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.820 -8.466 -8.035 1.00 0.00 C ATOM 0 H ILE A 75 -3.635 -6.049 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.058 -5.312 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 75 0.125 -6.772 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.612 -7.473 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.457 -6.402 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.764 -8.985 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.796 -7.834 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.296 -8.219 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.246 -8.707 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.239 -8.233 -8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.934 -9.321 -7.368 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.521 -3.711 -6.553 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.400 -2.626 -7.567 1.00 0.00 C ATOM 1140 C ASP A 76 0.996 -2.660 -8.191 1.00 0.00 C ATOM 1141 O ASP A 76 1.930 -2.073 -7.683 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.624 -1.271 -6.893 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.081 -1.165 -6.437 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.870 -2.003 -6.841 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.383 -0.248 -5.692 1.00 0.00 O ATOM 0 H ASP A 76 0.218 -3.732 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.148 -2.774 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.045 -1.162 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.389 -0.464 -7.587 1.00 0.00 H new ATOM 1150 N LYS A 77 1.144 -3.342 -9.294 1.00 0.00 N ATOM 1151 CA LYS A 77 2.479 -3.413 -9.952 1.00 0.00 C ATOM 1152 C LYS A 77 2.870 -2.022 -10.455 1.00 0.00 C ATOM 1153 O LYS A 77 4.016 -1.626 -10.389 1.00 0.00 O ATOM 1154 CB LYS A 77 2.416 -4.383 -11.133 1.00 0.00 C ATOM 1155 CG LYS A 77 2.152 -5.799 -10.615 1.00 0.00 C ATOM 1156 CD LYS A 77 2.231 -6.790 -11.778 1.00 0.00 C ATOM 1157 CE LYS A 77 1.815 -8.180 -11.293 1.00 0.00 C ATOM 1158 NZ LYS A 77 0.986 -8.844 -12.339 1.00 0.00 N ATOM 0 H LYS A 77 0.399 -3.853 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 77 3.221 -3.764 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.627 -4.083 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.353 -4.356 -11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.883 -6.060 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.169 -5.849 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.580 -6.467 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.245 -6.820 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.698 -8.781 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.251 -8.099 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.703 -9.789 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.137 -8.273 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.539 -8.934 -13.215 1.00 0.00 H new ATOM 1172 N VAL A 78 1.924 -1.276 -10.958 1.00 0.00 N ATOM 1173 CA VAL A 78 2.240 0.089 -11.463 1.00 0.00 C ATOM 1174 C VAL A 78 2.591 1.000 -10.286 1.00 0.00 C ATOM 1175 O VAL A 78 3.516 1.784 -10.349 1.00 0.00 O ATOM 1176 CB VAL A 78 1.025 0.654 -12.201 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.270 2.126 -12.536 1.00 0.00 C ATOM 1178 CG2 VAL A 78 0.801 -0.134 -13.494 1.00 0.00 C ATOM 0 H VAL A 78 0.946 -1.554 -11.041 1.00 0.00 H new ATOM 0 HA VAL A 78 3.088 0.036 -12.146 1.00 0.00 H new ATOM 0 HB VAL A 78 0.143 0.569 -11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.404 2.528 -13.062 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.428 2.687 -11.615 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.152 2.213 -13.170 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.065 0.268 -14.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.683 -0.050 -14.129 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.625 -1.183 -13.255 1.00 0.00 H new ATOM 1188 N ASN A 79 1.857 0.901 -9.210 1.00 0.00 N ATOM 1189 CA ASN A 79 2.148 1.762 -8.029 1.00 0.00 C ATOM 1190 C ASN A 79 3.191 1.079 -7.141 1.00 0.00 C ATOM 1191 O ASN A 79 3.517 1.555 -6.072 1.00 0.00 O ATOM 1192 CB ASN A 79 0.862 1.980 -7.229 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.214 2.569 -8.143 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -0.011 3.598 -8.756 1.00 0.00 O ATOM 1195 ND2 ASN A 79 -1.358 1.953 -8.263 1.00 0.00 N ATOM 0 H ASN A 79 1.070 0.262 -9.099 1.00 0.00 H new ATOM 0 HA ASN A 79 2.534 2.723 -8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.519 1.035 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.051 2.652 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.082 2.335 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.528 1.089 -7.748 1.00 0.00 H new ATOM 1202 N HIS A 80 3.717 -0.035 -7.573 1.00 0.00 N ATOM 1203 CA HIS A 80 4.737 -0.746 -6.752 1.00 0.00 C ATOM 1204 C HIS A 80 4.236 -0.870 -5.311 1.00 0.00 C ATOM 1205 O HIS A 80 4.977 -0.685 -4.368 1.00 0.00 O ATOM 1206 CB HIS A 80 6.046 0.045 -6.771 1.00 0.00 C ATOM 1207 CG HIS A 80 6.500 0.228 -8.193 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.178 1.356 -8.933 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.250 -0.566 -9.026 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.729 1.211 -10.152 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.393 0.057 -10.262 1.00 0.00 N ATOM 0 H HIS A 80 3.484 -0.483 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 80 4.907 -1.741 -7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.904 1.015 -6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.810 -0.481 -6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.665 -1.527 -8.762 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.645 1.939 -10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.897 -0.292 -11.077 1.00 0.00 H new ATOM 1219 N THR A 81 2.981 -1.184 -5.137 1.00 0.00 N ATOM 1220 CA THR A 81 2.433 -1.320 -3.758 1.00 0.00 C ATOM 1221 C THR A 81 1.855 -2.726 -3.576 1.00 0.00 C ATOM 1222 O THR A 81 1.176 -3.244 -4.440 1.00 0.00 O ATOM 1223 CB THR A 81 1.329 -0.283 -3.543 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.842 1.015 -3.812 1.00 0.00 O ATOM 1225 CG2 THR A 81 0.836 -0.350 -2.098 1.00 0.00 C ATOM 0 H THR A 81 2.313 -1.352 -5.889 1.00 0.00 H new ATOM 0 HA THR A 81 3.230 -1.157 -3.032 1.00 0.00 H new ATOM 0 HB THR A 81 0.498 -0.492 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.296 1.014 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.050 0.390 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.442 -1.346 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.664 -0.142 -1.421 1.00 0.00 H new ATOM 1233 N TYR A 82 2.118 -3.346 -2.458 1.00 0.00 N ATOM 1234 CA TYR A 82 1.583 -4.715 -2.222 1.00 0.00 C ATOM 1235 C TYR A 82 0.880 -4.758 -0.863 1.00 0.00 C ATOM 1236 O TYR A 82 1.440 -4.385 0.148 1.00 0.00 O ATOM 1237 CB TYR A 82 2.736 -5.721 -2.231 1.00 0.00 C ATOM 1238 CG TYR A 82 2.180 -7.124 -2.171 1.00 0.00 C ATOM 1239 CD1 TYR A 82 1.770 -7.766 -3.347 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.074 -7.784 -0.941 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.256 -9.066 -3.292 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.559 -9.084 -0.886 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.149 -9.725 -2.061 1.00 0.00 C ATOM 1244 OH TYR A 82 0.641 -11.007 -2.007 1.00 0.00 O ATOM 0 H TYR A 82 2.680 -2.963 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 82 0.872 -4.969 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.336 -5.594 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.395 -5.543 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.851 -7.257 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.390 -7.290 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.942 -9.561 -4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.478 -9.593 0.063 1.00 0.00 H new ATOM 0 HH TYR A 82 1.109 -11.572 -2.657 1.00 0.00 H new ATOM 1254 N SER A 83 -0.345 -5.207 -0.831 1.00 0.00 N ATOM 1255 CA SER A 83 -1.080 -5.269 0.463 1.00 0.00 C ATOM 1256 C SER A 83 -1.519 -6.709 0.737 1.00 0.00 C ATOM 1257 O SER A 83 -2.049 -7.382 -0.125 1.00 0.00 O ATOM 1258 CB SER A 83 -2.313 -4.366 0.392 1.00 0.00 C ATOM 1259 OG SER A 83 -2.959 -4.345 1.657 1.00 0.00 O ATOM 0 H SER A 83 -0.868 -5.533 -1.644 1.00 0.00 H new ATOM 0 HA SER A 83 -0.426 -4.931 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.021 -3.356 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.999 -4.729 -0.373 1.00 0.00 H new ATOM 0 HG SER A 83 -3.748 -3.765 1.612 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.304 -7.187 1.932 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.711 -8.582 2.262 1.00 0.00 C ATOM 1267 C TYR A 84 -2.073 -8.667 3.746 1.00 0.00 C ATOM 1268 O TYR A 84 -1.730 -7.803 4.528 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.554 -9.538 1.961 1.00 0.00 C ATOM 1270 CG TYR A 84 0.540 -9.350 2.984 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.527 -8.378 2.783 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.566 -10.147 4.136 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.541 -8.203 3.732 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.581 -9.972 5.084 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.568 -9.000 4.883 1.00 0.00 C ATOM 1276 OH TYR A 84 3.568 -8.829 5.818 1.00 0.00 O ATOM 0 H TYR A 84 -0.864 -6.672 2.694 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.576 -8.861 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.908 -10.569 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.165 -9.350 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.506 -7.763 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.196 -10.896 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.303 -7.453 3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.603 -10.587 5.971 1.00 0.00 H new ATOM 0 HH TYR A 84 3.183 -8.481 6.649 1.00 0.00 H new ATOM 1286 N SER A 85 -2.766 -9.700 4.141 1.00 0.00 N ATOM 1287 CA SER A 85 -3.149 -9.833 5.575 1.00 0.00 C ATOM 1288 C SER A 85 -2.981 -11.289 6.015 1.00 0.00 C ATOM 1289 O SER A 85 -3.136 -12.206 5.235 1.00 0.00 O ATOM 1290 CB SER A 85 -4.609 -9.413 5.753 1.00 0.00 C ATOM 1291 OG SER A 85 -4.765 -8.060 5.351 1.00 0.00 O ATOM 0 H SER A 85 -3.083 -10.456 3.534 1.00 0.00 H new ATOM 0 HA SER A 85 -2.509 -9.193 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.259 -10.057 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.908 -9.531 6.795 1.00 0.00 H new ATOM 0 HG SER A 85 -5.718 -7.857 5.247 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.666 -11.507 7.263 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.489 -12.903 7.754 1.00 0.00 C ATOM 1299 C LEU A 86 -3.838 -13.451 8.225 1.00 0.00 C ATOM 1300 O LEU A 86 -4.571 -12.792 8.936 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.499 -12.913 8.920 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.027 -14.346 9.175 1.00 0.00 C ATOM 1303 CD1 LEU A 86 0.124 -14.332 10.180 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.186 -15.172 9.737 1.00 0.00 C ATOM 0 H LEU A 86 -2.524 -10.779 7.963 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.104 -13.526 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.647 -12.273 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.971 -12.509 9.816 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.686 -14.789 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.461 -15.353 10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.950 -13.744 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.216 -13.890 11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.851 -16.193 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.527 -14.730 10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.007 -15.182 9.020 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.171 -14.651 7.835 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.473 -15.238 8.261 1.00 0.00 C ATOM 1318 C ILE A 87 -5.281 -16.026 9.558 1.00 0.00 C ATOM 1319 O ILE A 87 -5.620 -15.567 10.630 1.00 0.00 O ATOM 1320 CB ILE A 87 -5.991 -16.175 7.169 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.235 -15.379 5.885 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.302 -16.816 7.627 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.722 -16.323 4.784 1.00 0.00 C ATOM 0 H ILE A 87 -3.598 -15.250 7.240 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.194 -14.437 8.427 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.252 -16.953 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.975 -14.599 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.317 -14.882 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.672 -17.484 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.129 -17.384 8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.041 -16.037 7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.896 -15.756 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.967 -17.087 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.651 -16.799 5.098 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.745 -17.212 9.471 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.537 -18.028 10.699 1.00 0.00 C ATOM 1337 C GLU A 88 -3.039 -18.239 10.929 1.00 0.00 C ATOM 1338 O GLU A 88 -2.234 -18.074 10.034 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.222 -19.386 10.533 1.00 0.00 C ATOM 1340 CG GLU A 88 -6.732 -19.178 10.384 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.271 -18.458 11.622 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -6.583 -18.458 12.629 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.362 -17.920 11.541 1.00 0.00 O ATOM 0 H GLU A 88 -4.442 -17.651 8.602 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.965 -17.506 11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.826 -19.901 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.014 -20.019 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.943 -18.593 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.232 -20.139 10.262 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.659 -18.606 12.122 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.215 -18.829 12.412 1.00 0.00 C ATOM 1352 C GLY A 89 -1.026 -19.042 13.916 1.00 0.00 C ATOM 1353 O GLY A 89 -1.866 -18.678 14.714 1.00 0.00 O ATOM 0 H GLY A 89 -3.288 -18.761 12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.852 -19.697 11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.629 -17.973 12.078 1.00 0.00 H new ATOM 1357 N ASP A 90 0.071 -19.629 14.308 1.00 0.00 N ATOM 1358 CA ASP A 90 0.311 -19.865 15.760 1.00 0.00 C ATOM 1359 C ASP A 90 0.346 -18.527 16.500 1.00 0.00 C ATOM 1360 O ASP A 90 -0.068 -18.423 17.637 1.00 0.00 O ATOM 1361 CB ASP A 90 1.650 -20.582 15.947 1.00 0.00 C ATOM 1362 CG ASP A 90 1.607 -21.939 15.243 1.00 0.00 C ATOM 1363 OD1 ASP A 90 0.517 -22.382 14.918 1.00 0.00 O ATOM 1364 OD2 ASP A 90 2.665 -22.513 15.042 1.00 0.00 O ATOM 0 H ASP A 90 0.811 -19.955 13.687 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.493 -20.481 16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.459 -19.975 15.540 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.856 -20.718 17.009 1.00 0.00 H new ATOM 1369 N ALA A 91 0.844 -17.500 15.864 1.00 0.00 N ATOM 1370 CA ALA A 91 0.911 -16.170 16.533 1.00 0.00 C ATOM 1371 C ALA A 91 -0.504 -15.625 16.742 1.00 0.00 C ATOM 1372 O ALA A 91 -0.772 -14.915 17.691 1.00 0.00 O ATOM 1373 CB ALA A 91 1.705 -15.200 15.658 1.00 0.00 C ATOM 0 H ALA A 91 1.207 -17.525 14.911 1.00 0.00 H new ATOM 0 HA ALA A 91 1.403 -16.277 17.500 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.755 -14.227 16.146 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.714 -15.585 15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.213 -15.096 14.691 1.00 0.00 H new ATOM 1379 N LEU A 92 -1.412 -15.949 15.863 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.807 -15.442 16.014 1.00 0.00 C ATOM 1381 C LEU A 92 -3.468 -16.141 17.197 1.00 0.00 C ATOM 1382 O LEU A 92 -4.355 -15.612 17.836 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.602 -15.745 14.742 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.756 -15.415 13.506 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -3.672 -15.275 12.289 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -2.002 -14.103 13.727 1.00 0.00 C ATOM 0 H LEU A 92 -1.250 -16.541 15.048 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.788 -14.365 16.183 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.891 -16.796 14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.522 -15.161 14.730 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.038 -16.217 13.337 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.074 -15.040 11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.206 -16.211 12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.390 -14.474 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.403 -13.875 12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.716 -13.298 13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.349 -14.200 14.594 1.00 0.00 H new ATOM 1398 N SER A 93 -3.037 -17.330 17.486 1.00 0.00 N ATOM 1399 CA SER A 93 -3.631 -18.083 18.626 1.00 0.00 C ATOM 1400 C SER A 93 -5.154 -17.937 18.595 1.00 0.00 C ATOM 1401 O SER A 93 -5.726 -17.507 17.613 1.00 0.00 O ATOM 1402 CB SER A 93 -3.092 -17.524 19.944 1.00 0.00 C ATOM 1403 OG SER A 93 -2.176 -18.449 20.512 1.00 0.00 O ATOM 0 H SER A 93 -2.296 -17.818 16.983 1.00 0.00 H new ATOM 0 HA SER A 93 -3.365 -19.137 18.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.599 -16.567 19.771 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.914 -17.338 20.636 1.00 0.00 H new ATOM 0 HG SER A 93 -1.829 -18.090 21.355 1.00 0.00 H new ATOM 1409 N GLU A 94 -5.815 -18.291 19.663 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.300 -18.170 19.692 1.00 0.00 C ATOM 1411 C GLU A 94 -7.694 -16.853 20.363 1.00 0.00 C ATOM 1412 O GLU A 94 -8.831 -16.654 20.741 1.00 0.00 O ATOM 1413 CB GLU A 94 -7.891 -19.339 20.484 1.00 0.00 C ATOM 1414 CG GLU A 94 -7.563 -20.656 19.774 1.00 0.00 C ATOM 1415 CD GLU A 94 -8.240 -21.813 20.511 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -8.799 -21.571 21.567 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -8.190 -22.922 20.003 1.00 0.00 O ATOM 0 H GLU A 94 -5.392 -18.658 20.515 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.684 -18.187 18.672 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.486 -19.348 21.496 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.971 -19.222 20.574 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.905 -20.619 18.740 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.484 -20.809 19.748 1.00 0.00 H new ATOM 1424 N ASN A 95 -6.761 -15.952 20.518 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.087 -14.651 21.169 1.00 0.00 C ATOM 1426 C ASN A 95 -6.700 -13.495 20.244 1.00 0.00 C ATOM 1427 O ASN A 95 -7.062 -12.359 20.473 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.311 -14.530 22.482 1.00 0.00 C ATOM 1429 CG ASN A 95 -4.809 -14.574 22.193 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -4.379 -15.199 21.244 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -3.987 -13.931 22.976 1.00 0.00 N ATOM 0 H ASN A 95 -5.791 -16.060 20.223 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.158 -14.609 21.369 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.568 -13.597 22.984 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.586 -15.341 23.156 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.984 -13.953 22.791 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.347 -13.406 23.773 1.00 0.00 H new ATOM 1438 N ILE A 96 -5.966 -13.771 19.201 1.00 0.00 N ATOM 1439 CA ILE A 96 -5.561 -12.678 18.272 1.00 0.00 C ATOM 1440 C ILE A 96 -6.260 -12.862 16.923 1.00 0.00 C ATOM 1441 O ILE A 96 -6.185 -13.909 16.309 1.00 0.00 O ATOM 1442 CB ILE A 96 -4.046 -12.711 18.071 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -3.347 -12.661 19.431 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -3.616 -11.506 17.232 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -1.832 -12.716 19.229 1.00 0.00 C ATOM 0 H ILE A 96 -5.630 -14.702 18.953 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.849 -11.718 18.700 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.769 -13.631 17.555 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.621 -11.748 19.959 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.673 -13.497 20.050 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.536 -11.529 17.089 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.112 -11.543 16.262 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.894 -10.586 17.747 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.334 -12.680 20.198 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.566 -13.642 18.718 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.514 -11.865 18.626 1.00 0.00 H new ATOM 1457 N GLU A 97 -6.940 -11.850 16.457 1.00 0.00 N ATOM 1458 CA GLU A 97 -7.645 -11.958 15.148 1.00 0.00 C ATOM 1459 C GLU A 97 -6.630 -11.829 14.011 1.00 0.00 C ATOM 1460 O GLU A 97 -5.446 -11.675 14.237 1.00 0.00 O ATOM 1461 CB GLU A 97 -8.687 -10.844 15.035 1.00 0.00 C ATOM 1462 CG GLU A 97 -9.787 -11.068 16.074 1.00 0.00 C ATOM 1463 CD GLU A 97 -10.880 -10.013 15.893 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -10.673 -9.102 15.109 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -11.905 -10.134 16.544 1.00 0.00 O ATOM 0 H GLU A 97 -7.038 -10.951 16.928 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.143 -12.925 15.081 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.216 -9.874 15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.115 -10.832 14.033 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.209 -12.067 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.371 -11.007 17.079 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.083 -11.893 12.789 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.145 -11.779 11.639 1.00 0.00 C ATOM 1474 C LYS A 98 -5.377 -10.458 11.729 1.00 0.00 C ATOM 1475 O LYS A 98 -5.720 -9.579 12.496 1.00 0.00 O ATOM 1476 CB LYS A 98 -6.938 -11.816 10.330 1.00 0.00 C ATOM 1477 CG LYS A 98 -7.650 -13.164 10.203 1.00 0.00 C ATOM 1478 CD LYS A 98 -8.390 -13.226 8.865 1.00 0.00 C ATOM 1479 CE LYS A 98 -9.248 -14.492 8.815 1.00 0.00 C ATOM 1480 NZ LYS A 98 -10.688 -14.114 8.765 1.00 0.00 N ATOM 0 H LYS A 98 -8.064 -12.019 12.538 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.440 -12.610 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.666 -11.005 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.269 -11.665 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.927 -13.977 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.353 -13.295 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.018 -12.343 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.676 -13.225 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.987 -15.087 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.054 -15.111 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.272 -14.974 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.932 -13.563 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.867 -13.540 7.916 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.337 -10.313 10.953 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.543 -9.053 10.994 1.00 0.00 C ATOM 1496 C ILE A 99 -3.493 -8.438 9.594 1.00 0.00 C ATOM 1497 O ILE A 99 -3.318 -9.126 8.608 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.121 -9.361 11.466 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.167 -9.957 12.874 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.299 -8.071 11.485 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -0.806 -10.567 13.215 1.00 0.00 C ATOM 0 H ILE A 99 -4.003 -11.014 10.292 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.010 -8.351 11.684 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.660 -10.076 10.785 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.423 -9.185 13.599 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.944 -10.719 12.932 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.286 -8.290 11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.264 -7.647 10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.760 -7.356 12.166 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.839 -10.992 14.218 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.569 -11.351 12.496 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.040 -9.793 13.173 1.00 0.00 H new ATOM 1513 N ASP A 100 -3.642 -7.144 9.497 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.601 -6.487 8.161 1.00 0.00 C ATOM 1515 C ASP A 100 -2.169 -6.043 7.856 1.00 0.00 C ATOM 1516 O ASP A 100 -1.569 -5.294 8.601 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.524 -5.267 8.163 1.00 0.00 C ATOM 1518 CG ASP A 100 -4.580 -4.666 6.758 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -4.016 -5.264 5.857 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -5.186 -3.618 6.606 1.00 0.00 O ATOM 0 H ASP A 100 -3.790 -6.515 10.286 1.00 0.00 H new ATOM 0 HA ASP A 100 -3.934 -7.192 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.524 -5.555 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.161 -4.524 8.873 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.614 -6.500 6.766 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.221 -6.104 6.418 1.00 0.00 C ATOM 1527 C TYR A 101 -0.232 -5.271 5.133 1.00 0.00 C ATOM 1528 O TYR A 101 -0.939 -5.573 4.193 1.00 0.00 O ATOM 1529 CB TYR A 101 0.629 -7.358 6.204 1.00 0.00 C ATOM 1530 CG TYR A 101 0.829 -8.062 7.525 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.869 -7.669 8.376 1.00 0.00 C ATOM 1532 CD2 TYR A 101 -0.024 -9.106 7.898 1.00 0.00 C ATOM 1533 CE1 TYR A 101 2.055 -8.321 9.601 1.00 0.00 C ATOM 1534 CE2 TYR A 101 0.162 -9.758 9.123 1.00 0.00 C ATOM 1535 CZ TYR A 101 1.202 -9.366 9.975 1.00 0.00 C ATOM 1536 OH TYR A 101 1.385 -10.009 11.182 1.00 0.00 O ATOM 0 H TYR A 101 -2.065 -7.130 6.103 1.00 0.00 H new ATOM 0 HA TYR A 101 0.201 -5.513 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.140 -8.025 5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.593 -7.088 5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.528 -6.863 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.826 -9.409 7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.857 -8.018 10.258 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.497 -10.564 9.411 1.00 0.00 H new ATOM 0 HH TYR A 101 1.772 -9.384 11.830 1.00 0.00 H new ATOM 1546 N GLU A 102 0.550 -4.227 5.086 1.00 0.00 N ATOM 1547 CA GLU A 102 0.585 -3.377 3.862 1.00 0.00 C ATOM 1548 C GLU A 102 2.040 -3.128 3.458 1.00 0.00 C ATOM 1549 O GLU A 102 2.866 -2.765 4.271 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.101 -2.040 4.149 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.567 -2.286 4.511 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.290 -0.945 4.651 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.621 0.074 4.603 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.500 -0.960 4.803 1.00 0.00 O ATOM 0 H GLU A 102 1.166 -3.926 5.842 1.00 0.00 H new ATOM 0 HA GLU A 102 0.063 -3.885 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.406 -1.527 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.035 -1.390 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.046 -2.891 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.633 -2.846 5.444 1.00 0.00 H new ATOM 1561 N THR A 103 2.360 -3.322 2.209 1.00 0.00 N ATOM 1562 CA THR A 103 3.761 -3.096 1.756 1.00 0.00 C ATOM 1563 C THR A 103 3.769 -2.123 0.576 1.00 0.00 C ATOM 1564 O THR A 103 2.955 -2.214 -0.321 1.00 0.00 O ATOM 1565 CB THR A 103 4.377 -4.429 1.321 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.214 -5.385 2.359 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.867 -4.236 1.031 1.00 0.00 C ATOM 0 H THR A 103 1.712 -3.627 1.483 1.00 0.00 H new ATOM 0 HA THR A 103 4.343 -2.675 2.576 1.00 0.00 H new ATOM 0 HB THR A 103 3.878 -4.783 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.606 -6.239 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.303 -5.186 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.991 -3.503 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.370 -3.882 1.931 1.00 0.00 H new ATOM 1575 N LYS A 104 4.683 -1.192 0.569 1.00 0.00 N ATOM 1576 CA LYS A 104 4.744 -0.214 -0.553 1.00 0.00 C ATOM 1577 C LYS A 104 6.204 0.028 -0.939 1.00 0.00 C ATOM 1578 O LYS A 104 7.034 0.330 -0.105 1.00 0.00 O ATOM 1579 CB LYS A 104 4.107 1.106 -0.116 1.00 0.00 C ATOM 1580 CG LYS A 104 4.060 2.068 -1.305 1.00 0.00 C ATOM 1581 CD LYS A 104 3.481 3.411 -0.854 1.00 0.00 C ATOM 1582 CE LYS A 104 3.329 4.333 -2.065 1.00 0.00 C ATOM 1583 NZ LYS A 104 1.888 4.441 -2.429 1.00 0.00 N ATOM 0 H LYS A 104 5.391 -1.066 1.293 1.00 0.00 H new ATOM 0 HA LYS A 104 4.202 -0.612 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.100 0.929 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.681 1.547 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.062 2.210 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.449 1.646 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.514 3.260 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.135 3.871 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.733 5.320 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.900 3.942 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.784 5.068 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.517 3.498 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.356 4.833 -1.626 1.00 0.00 H new ATOM 1597 N LEU A 105 6.525 -0.103 -2.197 1.00 0.00 N ATOM 1598 CA LEU A 105 7.932 0.118 -2.633 1.00 0.00 C ATOM 1599 C LEU A 105 8.076 1.531 -3.200 1.00 0.00 C ATOM 1600 O LEU A 105 7.460 1.881 -4.188 1.00 0.00 O ATOM 1601 CB LEU A 105 8.297 -0.905 -3.712 1.00 0.00 C ATOM 1602 CG LEU A 105 8.271 -2.311 -3.110 1.00 0.00 C ATOM 1603 CD1 LEU A 105 9.091 -2.330 -1.818 1.00 0.00 C ATOM 1604 CD2 LEU A 105 6.826 -2.708 -2.803 1.00 0.00 C ATOM 0 H LEU A 105 5.874 -0.353 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 105 8.599 0.001 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.594 -0.840 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.287 -0.688 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 105 8.699 -3.018 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.072 -3.332 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.121 -2.048 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.665 -1.623 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.807 -3.710 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.398 -2.001 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.242 -2.696 -3.723 1.00 0.00 H new ATOM 1616 N VAL A 106 8.887 2.347 -2.584 1.00 0.00 N ATOM 1617 CA VAL A 106 9.073 3.737 -3.087 1.00 0.00 C ATOM 1618 C VAL A 106 10.568 4.048 -3.170 1.00 0.00 C ATOM 1619 O VAL A 106 11.344 3.626 -2.339 1.00 0.00 O ATOM 1620 CB VAL A 106 8.399 4.721 -2.128 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.503 6.139 -2.694 1.00 0.00 C ATOM 1622 CG2 VAL A 106 6.926 4.344 -1.962 1.00 0.00 C ATOM 0 H VAL A 106 9.429 2.111 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 106 8.625 3.831 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 106 8.895 4.680 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.023 6.840 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.553 6.408 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.007 6.181 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.446 5.045 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.429 4.384 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.852 3.335 -1.557 1.00 0.00 H new ATOM 1632 N SER A 107 10.980 4.781 -4.168 1.00 0.00 N ATOM 1633 CA SER A 107 12.427 5.113 -4.299 1.00 0.00 C ATOM 1634 C SER A 107 12.626 6.619 -4.119 1.00 0.00 C ATOM 1635 O SER A 107 11.748 7.409 -4.405 1.00 0.00 O ATOM 1636 CB SER A 107 12.922 4.693 -5.683 1.00 0.00 C ATOM 1637 OG SER A 107 12.980 3.275 -5.757 1.00 0.00 O ATOM 0 H SER A 107 10.378 5.164 -4.897 1.00 0.00 H new ATOM 0 HA SER A 107 12.992 4.581 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.254 5.081 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.908 5.118 -5.873 1.00 0.00 H new ATOM 0 HG SER A 107 13.696 2.946 -5.174 1.00 0.00 H new ATOM 1643 N ALA A 108 13.774 7.024 -3.647 1.00 0.00 N ATOM 1644 CA ALA A 108 14.028 8.479 -3.451 1.00 0.00 C ATOM 1645 C ALA A 108 15.095 8.950 -4.442 1.00 0.00 C ATOM 1646 O ALA A 108 15.758 8.156 -5.079 1.00 0.00 O ATOM 1647 CB ALA A 108 14.517 8.721 -2.021 1.00 0.00 C ATOM 0 H ALA A 108 14.546 6.410 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 108 13.106 9.035 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.703 9.785 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.757 8.386 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.439 8.165 -1.853 1.00 0.00 H new ATOM 1653 N PRO A 109 15.259 10.274 -4.570 1.00 0.00 N ATOM 1654 CA PRO A 109 16.244 10.868 -5.483 1.00 0.00 C ATOM 1655 C PRO A 109 17.678 10.614 -5.014 1.00 0.00 C ATOM 1656 O PRO A 109 18.621 10.743 -5.770 1.00 0.00 O ATOM 1657 CB PRO A 109 15.930 12.363 -5.425 1.00 0.00 C ATOM 1658 CG PRO A 109 15.273 12.556 -4.100 1.00 0.00 C ATOM 1659 CD PRO A 109 14.499 11.298 -3.831 1.00 0.00 C ATOM 0 HA PRO A 109 16.181 10.445 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 109 16.836 12.962 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.273 12.662 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.014 12.732 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.613 13.424 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.451 11.074 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.472 11.373 -4.187 1.00 0.00 H new ATOM 1667 N HIS A 110 17.852 10.250 -3.773 1.00 0.00 N ATOM 1668 CA HIS A 110 19.225 9.985 -3.260 1.00 0.00 C ATOM 1669 C HIS A 110 19.816 8.781 -3.995 1.00 0.00 C ATOM 1670 O HIS A 110 21.004 8.532 -3.944 1.00 0.00 O ATOM 1671 CB HIS A 110 19.162 9.683 -1.762 1.00 0.00 C ATOM 1672 CG HIS A 110 18.620 10.880 -1.029 1.00 0.00 C ATOM 1673 ND1 HIS A 110 17.266 11.050 -0.789 1.00 0.00 N ATOM 1674 CD2 HIS A 110 19.239 11.972 -0.473 1.00 0.00 C ATOM 1675 CE1 HIS A 110 17.115 12.206 -0.117 1.00 0.00 C ATOM 1676 NE2 HIS A 110 18.286 12.809 0.101 1.00 0.00 N ATOM 0 H HIS A 110 17.103 10.125 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 110 19.851 10.861 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.527 8.815 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.155 9.434 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.304 12.154 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.162 12.598 0.207 1.00 0.00 H new ATOM 0 HE2 HIS A 110 18.448 13.693 0.584 1.00 0.00 H new ATOM 1684 N GLY A 111 18.995 8.030 -4.677 1.00 0.00 N ATOM 1685 CA GLY A 111 19.510 6.841 -5.411 1.00 0.00 C ATOM 1686 C GLY A 111 19.137 5.570 -4.644 1.00 0.00 C ATOM 1687 O GLY A 111 19.208 4.476 -5.165 1.00 0.00 O ATOM 0 H GLY A 111 17.991 8.189 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 111 19.089 6.810 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.592 6.908 -5.521 1.00 0.00 H new ATOM 1691 N GLY A 112 18.738 5.711 -3.409 1.00 0.00 N ATOM 1692 CA GLY A 112 18.361 4.512 -2.608 1.00 0.00 C ATOM 1693 C GLY A 112 16.860 4.256 -2.753 1.00 0.00 C ATOM 1694 O GLY A 112 16.156 4.992 -3.417 1.00 0.00 O ATOM 0 H GLY A 112 18.657 6.603 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.924 3.642 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.615 4.667 -1.559 1.00 0.00 H new ATOM 1698 N THR A 113 16.363 3.218 -2.139 1.00 0.00 N ATOM 1699 CA THR A 113 14.909 2.917 -2.248 1.00 0.00 C ATOM 1700 C THR A 113 14.262 2.986 -0.863 1.00 0.00 C ATOM 1701 O THR A 113 14.748 2.410 0.091 1.00 0.00 O ATOM 1702 CB THR A 113 14.720 1.515 -2.830 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.289 1.464 -4.130 1.00 0.00 O ATOM 1704 CG2 THR A 113 13.227 1.190 -2.910 1.00 0.00 C ATOM 0 H THR A 113 16.900 2.566 -1.567 1.00 0.00 H new ATOM 0 HA THR A 113 14.438 3.650 -2.903 1.00 0.00 H new ATOM 0 HB THR A 113 15.213 0.785 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.962 0.752 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.094 0.191 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.792 1.229 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.730 1.918 -3.551 1.00 0.00 H new ATOM 1712 N ILE A 114 13.165 3.681 -0.748 1.00 0.00 N ATOM 1713 CA ILE A 114 12.479 3.785 0.571 1.00 0.00 C ATOM 1714 C ILE A 114 11.278 2.837 0.588 1.00 0.00 C ATOM 1715 O ILE A 114 10.479 2.819 -0.327 1.00 0.00 O ATOM 1716 CB ILE A 114 11.999 5.222 0.787 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.184 6.182 0.657 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.389 5.352 2.183 1.00 0.00 C ATOM 1719 CD1 ILE A 114 12.684 7.624 0.753 1.00 0.00 C ATOM 0 H ILE A 114 12.713 4.183 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 114 13.172 3.514 1.367 1.00 0.00 H new ATOM 0 HB ILE A 114 11.247 5.469 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.913 5.985 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.691 6.024 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.047 6.376 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.544 4.669 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.140 5.104 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.527 8.308 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.971 7.816 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.197 7.777 1.716 1.00 0.00 H new ATOM 1731 N ILE A 115 11.145 2.045 1.617 1.00 0.00 N ATOM 1732 CA ILE A 115 9.995 1.098 1.678 1.00 0.00 C ATOM 1733 C ILE A 115 9.078 1.470 2.846 1.00 0.00 C ATOM 1734 O ILE A 115 9.514 1.616 3.970 1.00 0.00 O ATOM 1735 CB ILE A 115 10.518 -0.326 1.877 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.501 -0.671 0.756 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.347 -1.308 1.849 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.218 -1.980 1.093 1.00 0.00 C ATOM 0 H ILE A 115 11.780 2.012 2.415 1.00 0.00 H new ATOM 0 HA ILE A 115 9.433 1.155 0.746 1.00 0.00 H new ATOM 0 HB ILE A 115 11.026 -0.395 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 115 10.970 -0.768 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.227 0.133 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.719 -2.323 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.648 -1.063 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.838 -1.240 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 115 12.919 -2.227 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 115 12.762 -1.866 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.485 -2.781 1.193 1.00 0.00 H new ATOM 1750 N LYS A 116 7.806 1.614 2.586 1.00 0.00 N ATOM 1751 CA LYS A 116 6.855 1.964 3.678 1.00 0.00 C ATOM 1752 C LYS A 116 5.911 0.785 3.913 1.00 0.00 C ATOM 1753 O LYS A 116 5.261 0.309 3.004 1.00 0.00 O ATOM 1754 CB LYS A 116 6.042 3.196 3.272 1.00 0.00 C ATOM 1755 CG LYS A 116 6.958 4.421 3.222 1.00 0.00 C ATOM 1756 CD LYS A 116 6.118 5.676 2.979 1.00 0.00 C ATOM 1757 CE LYS A 116 7.034 6.900 2.920 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.835 6.860 1.664 1.00 0.00 N ATOM 0 H LYS A 116 7.385 1.504 1.663 1.00 0.00 H new ATOM 0 HA LYS A 116 7.407 2.182 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.580 3.035 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.234 3.362 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.509 4.515 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.696 4.305 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.562 5.579 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.385 5.796 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.441 7.814 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.696 6.914 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.248 7.798 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.597 6.159 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.220 6.595 0.868 1.00 0.00 H new ATOM 1772 N THR A 117 5.832 0.302 5.123 1.00 0.00 N ATOM 1773 CA THR A 117 4.932 -0.852 5.401 1.00 0.00 C ATOM 1774 C THR A 117 4.045 -0.544 6.608 1.00 0.00 C ATOM 1775 O THR A 117 4.509 -0.091 7.635 1.00 0.00 O ATOM 1776 CB THR A 117 5.777 -2.094 5.695 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.655 -2.337 4.605 1.00 0.00 O ATOM 1778 CG2 THR A 117 4.859 -3.301 5.893 1.00 0.00 C ATOM 0 H THR A 117 6.350 0.655 5.928 1.00 0.00 H new ATOM 0 HA THR A 117 4.301 -1.032 4.531 1.00 0.00 H new ATOM 0 HB THR A 117 6.360 -1.931 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.198 -3.131 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.461 -4.185 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.187 -3.113 6.730 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.274 -3.466 4.988 1.00 0.00 H new ATOM 1786 N THR A 118 2.768 -0.796 6.492 1.00 0.00 N ATOM 1787 CA THR A 118 1.846 -0.530 7.630 1.00 0.00 C ATOM 1788 C THR A 118 1.314 -1.862 8.164 1.00 0.00 C ATOM 1789 O THR A 118 0.934 -2.733 7.408 1.00 0.00 O ATOM 1790 CB THR A 118 0.677 0.334 7.150 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.183 1.510 6.534 1.00 0.00 O ATOM 1792 CG2 THR A 118 -0.203 0.715 8.340 1.00 0.00 C ATOM 0 H THR A 118 2.325 -1.175 5.655 1.00 0.00 H new ATOM 0 HA THR A 118 2.380 -0.004 8.421 1.00 0.00 H new ATOM 0 HB THR A 118 0.082 -0.227 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.436 2.064 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.034 1.330 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.591 -0.189 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.388 1.276 9.064 1.00 0.00 H new ATOM 1800 N SER A 119 1.291 -2.033 9.457 1.00 0.00 N ATOM 1801 CA SER A 119 0.790 -3.318 10.023 1.00 0.00 C ATOM 1802 C SER A 119 -0.319 -3.043 11.041 1.00 0.00 C ATOM 1803 O SER A 119 -0.273 -2.085 11.786 1.00 0.00 O ATOM 1804 CB SER A 119 1.943 -4.051 10.713 1.00 0.00 C ATOM 1805 OG SER A 119 2.964 -4.325 9.766 1.00 0.00 O ATOM 0 H SER A 119 1.596 -1.343 10.143 1.00 0.00 H new ATOM 0 HA SER A 119 0.391 -3.934 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.340 -3.443 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.584 -4.980 11.156 1.00 0.00 H new ATOM 0 HG SER A 119 3.703 -4.793 10.208 1.00 0.00 H new ATOM 1811 N LYS A 120 -1.314 -3.888 11.079 1.00 0.00 N ATOM 1812 CA LYS A 120 -2.429 -3.695 12.047 1.00 0.00 C ATOM 1813 C LYS A 120 -2.824 -5.054 12.628 1.00 0.00 C ATOM 1814 O LYS A 120 -2.974 -6.023 11.911 1.00 0.00 O ATOM 1815 CB LYS A 120 -3.631 -3.076 11.331 1.00 0.00 C ATOM 1816 CG LYS A 120 -4.560 -2.429 12.359 1.00 0.00 C ATOM 1817 CD LYS A 120 -5.815 -1.906 11.656 1.00 0.00 C ATOM 1818 CE LYS A 120 -6.749 -1.269 12.686 1.00 0.00 C ATOM 1819 NZ LYS A 120 -7.943 -2.139 12.879 1.00 0.00 N ATOM 0 H LYS A 120 -1.402 -4.707 10.478 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.109 -3.029 12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -3.294 -2.331 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.168 -3.842 10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -4.835 -3.155 13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -4.047 -1.612 12.865 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -5.541 -1.174 10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -6.324 -2.722 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -6.226 -1.135 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -7.058 -0.279 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -8.767 -1.706 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -7.762 -3.074 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -8.135 -2.245 13.896 1.00 0.00 H new ATOM 1833 N TYR A 121 -2.987 -5.139 13.920 1.00 0.00 N ATOM 1834 CA TYR A 121 -3.364 -6.443 14.535 1.00 0.00 C ATOM 1835 C TYR A 121 -4.792 -6.366 15.080 1.00 0.00 C ATOM 1836 O TYR A 121 -5.153 -5.436 15.774 1.00 0.00 O ATOM 1837 CB TYR A 121 -2.401 -6.763 15.680 1.00 0.00 C ATOM 1838 CG TYR A 121 -0.982 -6.738 15.165 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -0.283 -5.527 15.093 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.364 -7.928 14.760 1.00 0.00 C ATOM 1841 CE1 TYR A 121 1.033 -5.505 14.615 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.952 -7.906 14.283 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.650 -6.694 14.210 1.00 0.00 C ATOM 1844 OH TYR A 121 2.947 -6.672 13.739 1.00 0.00 O ATOM 0 H TYR A 121 -2.876 -4.365 14.574 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.309 -7.226 13.779 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.520 -6.037 16.484 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -2.630 -7.743 16.099 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.759 -4.610 15.406 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -0.903 -8.862 14.816 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.572 -4.571 14.559 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.429 -8.824 13.971 1.00 0.00 H new ATOM 0 HH TYR A 121 3.224 -7.581 13.502 1.00 0.00 H new ATOM 1854 N HIS A 122 -5.606 -7.339 14.773 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.008 -7.324 15.278 1.00 0.00 C ATOM 1856 C HIS A 122 -7.121 -8.261 16.483 1.00 0.00 C ATOM 1857 O HIS A 122 -6.563 -9.340 16.496 1.00 0.00 O ATOM 1858 CB HIS A 122 -7.953 -7.799 14.172 1.00 0.00 C ATOM 1859 CG HIS A 122 -7.924 -6.819 13.031 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -7.016 -6.925 11.989 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -8.684 -5.709 12.755 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -7.251 -5.907 11.142 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -8.258 -5.135 11.560 1.00 0.00 N ATOM 0 H HIS A 122 -5.361 -8.143 14.195 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.279 -6.311 15.576 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -7.654 -8.788 13.824 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.967 -7.891 14.560 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -6.300 -7.644 11.884 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.490 -5.338 13.371 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.693 -5.734 10.234 1.00 0.00 H new ATOM 1871 N THR A 123 -7.837 -7.857 17.495 1.00 0.00 N ATOM 1872 CA THR A 123 -7.982 -8.727 18.698 1.00 0.00 C ATOM 1873 C THR A 123 -9.400 -9.301 18.745 1.00 0.00 C ATOM 1874 O THR A 123 -10.322 -8.749 18.178 1.00 0.00 O ATOM 1875 CB THR A 123 -7.726 -7.900 19.960 1.00 0.00 C ATOM 1876 OG1 THR A 123 -8.861 -7.092 20.234 1.00 0.00 O ATOM 1877 CG2 THR A 123 -6.501 -7.008 19.748 1.00 0.00 C ATOM 0 H THR A 123 -8.328 -6.964 17.542 1.00 0.00 H new ATOM 0 HA THR A 123 -7.261 -9.543 18.645 1.00 0.00 H new ATOM 0 HB THR A 123 -7.545 -8.568 20.802 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.699 -6.563 21.043 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.319 -6.419 20.647 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.630 -7.629 19.539 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.679 -6.339 18.906 1.00 0.00 H new ATOM 2169 N ALA A 142 11.207 -6.436 10.018 1.00 0.00 N ATOM 2170 CA ALA A 142 12.358 -5.621 9.541 1.00 0.00 C ATOM 2171 C ALA A 142 13.564 -6.534 9.308 1.00 0.00 C ATOM 2172 O ALA A 142 14.299 -6.377 8.354 1.00 0.00 O ATOM 2173 CB ALA A 142 12.712 -4.568 10.593 1.00 0.00 C ATOM 0 HA ALA A 142 12.090 -5.124 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 142 13.555 -3.972 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.853 -3.918 10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.981 -5.062 11.527 1.00 0.00 H new ATOM 2179 N HIS A 143 13.771 -7.489 10.174 1.00 0.00 N ATOM 2180 CA HIS A 143 14.927 -8.412 10.001 1.00 0.00 C ATOM 2181 C HIS A 143 14.818 -9.114 8.647 1.00 0.00 C ATOM 2182 O HIS A 143 15.784 -9.233 7.920 1.00 0.00 O ATOM 2183 CB HIS A 143 14.917 -9.455 11.120 1.00 0.00 C ATOM 2184 CG HIS A 143 16.129 -10.337 10.994 1.00 0.00 C ATOM 2185 ND1 HIS A 143 17.414 -9.858 11.192 1.00 0.00 N ATOM 2186 CD2 HIS A 143 16.267 -11.669 10.692 1.00 0.00 C ATOM 2187 CE1 HIS A 143 18.263 -10.887 11.008 1.00 0.00 C ATOM 2188 NE2 HIS A 143 17.615 -12.014 10.702 1.00 0.00 N ATOM 0 H HIS A 143 13.190 -7.669 10.993 1.00 0.00 H new ATOM 0 HA HIS A 143 15.857 -7.845 10.042 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.913 -8.961 12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 143 14.009 -10.056 11.064 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.453 -12.346 10.479 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.337 -10.810 11.097 1.00 0.00 H new ATOM 0 HE2 HIS A 143 18.021 -12.931 10.516 1.00 0.00 H new ATOM 2196 N LEU A 144 13.649 -9.580 8.302 1.00 0.00 N ATOM 2197 CA LEU A 144 13.479 -10.273 6.994 1.00 0.00 C ATOM 2198 C LEU A 144 13.919 -9.340 5.864 1.00 0.00 C ATOM 2199 O LEU A 144 14.662 -9.723 4.983 1.00 0.00 O ATOM 2200 CB LEU A 144 12.009 -10.648 6.803 1.00 0.00 C ATOM 2201 CG LEU A 144 11.559 -11.552 7.952 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.136 -12.047 7.686 1.00 0.00 C ATOM 2203 CD2 LEU A 144 12.505 -12.750 8.057 1.00 0.00 C ATOM 0 H LEU A 144 12.804 -9.511 8.870 1.00 0.00 H new ATOM 0 HA LEU A 144 14.089 -11.177 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.394 -9.748 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.874 -11.159 5.850 1.00 0.00 H new ATOM 0 HG LEU A 144 11.578 -10.990 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.816 -12.691 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.462 -11.194 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.115 -12.609 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 144 12.186 -13.395 8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 144 12.486 -13.312 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 144 13.519 -12.398 8.247 1.00 0.00 H new ATOM 2215 N PHE A 145 13.468 -8.115 5.884 1.00 0.00 N ATOM 2216 CA PHE A 145 13.862 -7.160 4.812 1.00 0.00 C ATOM 2217 C PHE A 145 15.388 -7.109 4.716 1.00 0.00 C ATOM 2218 O PHE A 145 15.950 -7.020 3.643 1.00 0.00 O ATOM 2219 CB PHE A 145 13.326 -5.767 5.148 1.00 0.00 C ATOM 2220 CG PHE A 145 11.829 -5.741 4.947 1.00 0.00 C ATOM 2221 CD1 PHE A 145 11.298 -5.660 3.655 1.00 0.00 C ATOM 2222 CD2 PHE A 145 10.974 -5.798 6.053 1.00 0.00 C ATOM 2223 CE1 PHE A 145 9.911 -5.637 3.468 1.00 0.00 C ATOM 2224 CE2 PHE A 145 9.586 -5.774 5.867 1.00 0.00 C ATOM 2225 CZ PHE A 145 9.054 -5.693 4.575 1.00 0.00 C ATOM 0 H PHE A 145 12.844 -7.736 6.596 1.00 0.00 H new ATOM 0 HA PHE A 145 13.446 -7.488 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 145 13.570 -5.511 6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.802 -5.020 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.959 -5.615 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.384 -5.861 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 145 9.501 -5.576 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 145 8.926 -5.818 6.721 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.984 -5.674 4.431 1.00 0.00 H new ATOM 2235 N LYS A 146 16.064 -7.169 5.832 1.00 0.00 N ATOM 2236 CA LYS A 146 17.552 -7.128 5.803 1.00 0.00 C ATOM 2237 C LYS A 146 18.076 -8.285 4.951 1.00 0.00 C ATOM 2238 O LYS A 146 18.979 -8.123 4.155 1.00 0.00 O ATOM 2239 CB LYS A 146 18.094 -7.258 7.229 1.00 0.00 C ATOM 2240 CG LYS A 146 17.680 -6.034 8.047 1.00 0.00 C ATOM 2241 CD LYS A 146 18.342 -6.093 9.425 1.00 0.00 C ATOM 2242 CE LYS A 146 17.851 -4.922 10.278 1.00 0.00 C ATOM 2243 NZ LYS A 146 16.477 -5.214 10.778 1.00 0.00 N ATOM 0 H LYS A 146 15.649 -7.245 6.761 1.00 0.00 H new ATOM 0 HA LYS A 146 17.882 -6.182 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.710 -8.166 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 146 19.180 -7.345 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 146 17.974 -5.121 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 146 16.596 -6.005 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 146 18.104 -7.038 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.426 -6.052 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 146 18.528 -4.760 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 146 17.848 -4.005 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 16.202 -4.495 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 15.807 -5.197 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 16.462 -6.154 11.223 1.00 0.00 H new ATOM 2257 N LEU A 147 17.516 -9.453 5.111 1.00 0.00 N ATOM 2258 CA LEU A 147 17.981 -10.619 4.309 1.00 0.00 C ATOM 2259 C LEU A 147 17.726 -10.349 2.825 1.00 0.00 C ATOM 2260 O LEU A 147 18.509 -10.717 1.973 1.00 0.00 O ATOM 2261 CB LEU A 147 17.217 -11.873 4.739 1.00 0.00 C ATOM 2262 CG LEU A 147 17.754 -12.360 6.088 1.00 0.00 C ATOM 2263 CD1 LEU A 147 19.272 -12.522 6.004 1.00 0.00 C ATOM 2264 CD2 LEU A 147 17.410 -11.337 7.172 1.00 0.00 C ATOM 0 H LEU A 147 16.756 -9.650 5.763 1.00 0.00 H new ATOM 0 HA LEU A 147 19.048 -10.771 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.152 -11.654 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.328 -12.655 3.988 1.00 0.00 H new ATOM 0 HG LEU A 147 17.299 -13.319 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 147 19.655 -12.869 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 147 19.518 -13.250 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 147 19.727 -11.563 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.792 -11.683 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.865 -10.378 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 147 16.328 -11.221 7.232 1.00 0.00 H new ATOM 2276 N ILE A 148 16.634 -9.706 2.509 1.00 0.00 N ATOM 2277 CA ILE A 148 16.331 -9.411 1.080 1.00 0.00 C ATOM 2278 C ILE A 148 17.501 -8.644 0.464 1.00 0.00 C ATOM 2279 O ILE A 148 17.936 -8.932 -0.634 1.00 0.00 O ATOM 2280 CB ILE A 148 15.062 -8.561 0.993 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.918 -9.273 1.720 1.00 0.00 C ATOM 2282 CG2 ILE A 148 14.683 -8.360 -0.476 1.00 0.00 C ATOM 2283 CD1 ILE A 148 13.827 -10.720 1.230 1.00 0.00 C ATOM 0 H ILE A 148 15.940 -9.373 3.178 1.00 0.00 H new ATOM 0 HA ILE A 148 16.180 -10.344 0.538 1.00 0.00 H new ATOM 0 HB ILE A 148 15.242 -7.592 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 148 14.088 -9.252 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 148 12.977 -8.755 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.779 -7.754 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 148 15.496 -7.853 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 148 14.504 -9.329 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 148 13.013 -11.229 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 148 13.638 -10.729 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 148 14.766 -11.234 1.437 1.00 0.00 H new ATOM 2295 N GLU A 149 18.017 -7.669 1.162 1.00 0.00 N ATOM 2296 CA GLU A 149 19.159 -6.883 0.616 1.00 0.00 C ATOM 2297 C GLU A 149 20.393 -7.781 0.517 1.00 0.00 C ATOM 2298 O GLU A 149 21.180 -7.673 -0.403 1.00 0.00 O ATOM 2299 CB GLU A 149 19.459 -5.707 1.548 1.00 0.00 C ATOM 2300 CG GLU A 149 18.223 -4.813 1.658 1.00 0.00 C ATOM 2301 CD GLU A 149 18.496 -3.687 2.659 1.00 0.00 C ATOM 2302 OE1 GLU A 149 19.588 -3.657 3.201 1.00 0.00 O ATOM 2303 OE2 GLU A 149 17.609 -2.876 2.865 1.00 0.00 O ATOM 0 H GLU A 149 17.697 -7.383 2.087 1.00 0.00 H new ATOM 0 HA GLU A 149 18.902 -6.507 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 149 19.744 -6.074 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 149 20.303 -5.133 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.975 -4.395 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.363 -5.401 1.981 1.00 0.00 H new ATOM 2310 N GLY A 150 20.572 -8.667 1.459 1.00 0.00 N ATOM 2311 CA GLY A 150 21.756 -9.570 1.419 1.00 0.00 C ATOM 2312 C GLY A 150 21.677 -10.467 0.181 1.00 0.00 C ATOM 2313 O GLY A 150 22.649 -10.656 -0.524 1.00 0.00 O ATOM 0 H GLY A 150 19.949 -8.804 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 150 22.674 -8.982 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.791 -10.181 2.321 1.00 0.00 H new ATOM 2317 N TYR A 151 20.527 -11.023 -0.088 1.00 0.00 N ATOM 2318 CA TYR A 151 20.389 -11.909 -1.279 1.00 0.00 C ATOM 2319 C TYR A 151 20.575 -11.085 -2.555 1.00 0.00 C ATOM 2320 O TYR A 151 21.265 -11.486 -3.471 1.00 0.00 O ATOM 2321 CB TYR A 151 18.999 -12.546 -1.280 1.00 0.00 C ATOM 2322 CG TYR A 151 18.929 -13.601 -0.201 1.00 0.00 C ATOM 2323 CD1 TYR A 151 19.611 -14.814 -0.364 1.00 0.00 C ATOM 2324 CD2 TYR A 151 18.185 -13.366 0.961 1.00 0.00 C ATOM 2325 CE1 TYR A 151 19.546 -15.791 0.637 1.00 0.00 C ATOM 2326 CE2 TYR A 151 18.121 -14.344 1.961 1.00 0.00 C ATOM 2327 CZ TYR A 151 18.802 -15.555 1.799 1.00 0.00 C ATOM 2328 OH TYR A 151 18.739 -16.519 2.785 1.00 0.00 O ATOM 0 H TYR A 151 19.678 -10.902 0.465 1.00 0.00 H new ATOM 0 HA TYR A 151 21.148 -12.691 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.238 -11.785 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 151 18.792 -12.991 -2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 151 20.186 -14.995 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.660 -12.430 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 151 20.070 -16.727 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 151 17.546 -14.163 2.857 1.00 0.00 H new ATOM 0 HH TYR A 151 18.183 -16.195 3.524 1.00 0.00 H new ATOM 2338 N LEU A 152 19.963 -9.933 -2.623 1.00 0.00 N ATOM 2339 CA LEU A 152 20.104 -9.086 -3.840 1.00 0.00 C ATOM 2340 C LEU A 152 21.576 -8.713 -4.037 1.00 0.00 C ATOM 2341 O LEU A 152 22.083 -8.712 -5.141 1.00 0.00 O ATOM 2342 CB LEU A 152 19.274 -7.812 -3.673 1.00 0.00 C ATOM 2343 CG LEU A 152 17.788 -8.177 -3.628 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.947 -6.899 -3.662 1.00 0.00 C ATOM 2345 CD2 LEU A 152 17.442 -9.049 -4.836 1.00 0.00 C ATOM 0 H LEU A 152 19.372 -9.543 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 152 19.751 -9.640 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 152 19.561 -7.295 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 152 19.467 -7.128 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 152 17.575 -8.726 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.889 -7.159 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 152 17.194 -6.278 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 152 17.158 -6.349 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 152 16.384 -9.310 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 152 17.654 -8.500 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 152 18.041 -9.959 -4.811 1.00 0.00 H new