USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 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 26 TYR OH : rot 180:sc= 1.08 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -165:sc= 1.22 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.0188 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 4 ASN : amide:sc= -0.957 K(o=-0.96,f=-4.5!) USER MOD Single : A 5 ASN : amide:sc= -0.315 K(o=-0.31,f=-6.4!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.425 USER MOD Single : A 8 SER OG : rot -50:sc= -0.218 USER MOD Single : A 11 TYR OH : rot 50:sc= 0.272 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= 0.614 (180deg=0.136) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0529) USER MOD Single : A 20 GLN :FLIP amide:sc=-0.000436 F(o=-1.1,f=-0.00044) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.727) USER MOD Single : A 33 MET CE :methyl 140:sc= -0.192 (180deg=-0.913) USER MOD Single : A 48 GLN : amide:sc= -0.723 K(o=-0.72,f=-1.2) USER MOD Single : A 53 MET CE :methyl 165:sc= -0.0452 (180deg=-0.328) USER MOD Single : A 54 GLN : amide:sc= -0.879 K(o=-0.88,f=-4.8!) USER MOD Single : A 68 MET CE :methyl 139:sc= -3.68! (180deg=-7.68!) USER MOD Single : A 72 ASN : amide:sc= -0.126 K(o=-0.13,f=-1!) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.918 USER MOD Single : A 84 TYR OH : rot 34:sc= 1.26 USER MOD Single : A 88 THR OG1 : rot -94:sc= 0.868 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc=-0.00204 (180deg=-0.0843) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.8!) USER MOD Single : A 103 MET CE :methyl -138:sc= -0.199 (180deg=-2.73!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 30:sc= 0.0213 USER MOD Single : A 108 LYS NZ :NH3+ -120:sc= 0.63 (180deg=-0.734) USER MOD Single : A 109 LYS NZ :NH3+ 160:sc= -0.166 (180deg=-0.518) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 113 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 114 HIS : no HE2:sc= 0.696 K(o=0.7,f=-4.5!) USER MOD Single : A 115 HIS : no HD1:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.6!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.782 -1.972 23.782 1.00 0.00 N ATOM 2 CA SER A 1 3.652 -1.747 22.861 1.00 0.00 C ATOM 3 C SER A 1 3.091 -3.078 22.380 1.00 0.00 C ATOM 4 O SER A 1 3.842 -3.989 22.020 1.00 0.00 O ATOM 5 CB SER A 1 4.118 -0.915 21.668 1.00 0.00 C ATOM 6 OG SER A 1 4.720 0.296 22.096 1.00 0.00 O ATOM 0 H1 SER A 1 5.522 -1.264 23.602 1.00 0.00 H new ATOM 0 H2 SER A 1 4.452 -1.886 24.764 1.00 0.00 H new ATOM 0 H3 SER A 1 5.170 -2.925 23.630 1.00 0.00 H new ATOM 0 HA SER A 1 2.866 -1.208 23.390 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.830 -1.490 21.076 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.269 -0.694 21.021 1.00 0.00 H new ATOM 0 HG SER A 1 5.012 0.810 21.315 1.00 0.00 H new ATOM 14 N SER A 2 1.773 -3.184 22.367 1.00 0.00 N ATOM 15 CA SER A 2 1.108 -4.427 22.021 1.00 0.00 C ATOM 16 C SER A 2 0.045 -4.180 20.958 1.00 0.00 C ATOM 17 O SER A 2 -0.958 -3.511 21.215 1.00 0.00 O ATOM 18 CB SER A 2 0.490 -5.047 23.275 1.00 0.00 C ATOM 19 OG SER A 2 1.486 -5.290 24.259 1.00 0.00 O ATOM 0 H SER A 2 1.139 -2.418 22.594 1.00 0.00 H new ATOM 0 HA SER A 2 1.839 -5.124 21.611 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.272 -4.380 23.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.009 -5.981 23.017 1.00 0.00 H new ATOM 0 HG SER A 2 1.071 -5.685 25.054 1.00 0.00 H new ATOM 25 N ASN A 3 0.295 -4.714 19.763 1.00 0.00 N ATOM 26 CA ASN A 3 -0.587 -4.531 18.612 1.00 0.00 C ATOM 27 C ASN A 3 -0.697 -3.056 18.250 1.00 0.00 C ATOM 28 O ASN A 3 -1.597 -2.350 18.705 1.00 0.00 O ATOM 29 CB ASN A 3 -1.980 -5.129 18.858 1.00 0.00 C ATOM 30 CG ASN A 3 -1.977 -6.647 18.851 1.00 0.00 C ATOM 31 OD1 ASN A 3 -1.166 -7.279 18.167 1.00 0.00 O ATOM 32 ND2 ASN A 3 -2.889 -7.248 19.600 1.00 0.00 N ATOM 0 H ASN A 3 1.116 -5.286 19.566 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.143 -5.067 17.773 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.358 -4.775 19.817 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.666 -4.768 18.092 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.938 -8.267 19.625 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.542 -6.692 20.152 1.00 0.00 H new ATOM 39 N ASN A 4 0.250 -2.588 17.448 1.00 0.00 N ATOM 40 CA ASN A 4 0.287 -1.185 17.053 1.00 0.00 C ATOM 41 C ASN A 4 -0.558 -0.971 15.808 1.00 0.00 C ATOM 42 O ASN A 4 -0.828 0.164 15.420 1.00 0.00 O ATOM 43 CB ASN A 4 1.726 -0.732 16.779 1.00 0.00 C ATOM 44 CG ASN A 4 2.682 -1.075 17.904 1.00 0.00 C ATOM 45 OD1 ASN A 4 2.842 -0.313 18.852 1.00 0.00 O ATOM 46 ND2 ASN A 4 3.339 -2.222 17.792 1.00 0.00 N ATOM 0 H ASN A 4 1.002 -3.157 17.059 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.116 -0.591 17.873 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.077 -1.196 15.857 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.737 0.346 16.617 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.007 -2.499 18.511 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.176 -2.827 16.987 1.00 0.00 H new ATOM 53 N ASN A 5 -0.957 -2.084 15.188 1.00 0.00 N ATOM 54 CA ASN A 5 -1.772 -2.072 13.971 1.00 0.00 C ATOM 55 C ASN A 5 -1.018 -1.372 12.844 1.00 0.00 C ATOM 56 O ASN A 5 -1.611 -0.734 11.970 1.00 0.00 O ATOM 57 CB ASN A 5 -3.116 -1.384 14.233 1.00 0.00 C ATOM 58 CG ASN A 5 -4.191 -1.803 13.250 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.148 -2.896 12.691 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.181 -0.946 13.060 1.00 0.00 N ATOM 0 H ASN A 5 -0.723 -3.021 15.517 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.970 -3.101 13.670 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.446 -1.615 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.982 -0.304 14.180 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.947 -1.183 12.429 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.178 -0.048 13.544 1.00 0.00 H new ATOM 67 N SER A 6 0.303 -1.509 12.873 1.00 0.00 N ATOM 68 CA SER A 6 1.170 -0.886 11.888 1.00 0.00 C ATOM 69 C SER A 6 0.938 -1.487 10.507 1.00 0.00 C ATOM 70 O SER A 6 0.732 -2.700 10.372 1.00 0.00 O ATOM 71 CB SER A 6 2.632 -1.069 12.297 1.00 0.00 C ATOM 72 OG SER A 6 2.815 -0.765 13.670 1.00 0.00 O ATOM 0 H SER A 6 0.799 -2.054 13.579 1.00 0.00 H new ATOM 0 HA SER A 6 0.936 0.178 11.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.942 -2.096 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.267 -0.424 11.690 1.00 0.00 H new ATOM 0 HG SER A 6 3.757 -0.890 13.910 1.00 0.00 H new ATOM 78 N PHE A 7 0.981 -0.635 9.495 1.00 0.00 N ATOM 79 CA PHE A 7 0.757 -1.054 8.121 1.00 0.00 C ATOM 80 C PHE A 7 1.714 -2.182 7.735 1.00 0.00 C ATOM 81 O PHE A 7 1.288 -3.200 7.199 1.00 0.00 O ATOM 82 CB PHE A 7 0.929 0.137 7.176 1.00 0.00 C ATOM 83 CG PHE A 7 0.311 -0.068 5.821 1.00 0.00 C ATOM 84 CD1 PHE A 7 0.989 -0.748 4.824 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.953 0.427 5.546 1.00 0.00 C ATOM 86 CE1 PHE A 7 0.416 -0.932 3.581 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.530 0.246 4.304 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.844 -0.433 3.320 1.00 0.00 C ATOM 0 H PHE A 7 1.171 0.361 9.602 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.263 -1.430 8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.487 1.021 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.993 0.340 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.977 -1.139 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.495 0.961 6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.954 -1.467 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.517 0.636 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.291 -0.574 2.347 1.00 0.00 H new ATOM 98 N SER A 8 3.000 -2.002 8.034 1.00 0.00 N ATOM 99 CA SER A 8 4.019 -2.995 7.697 1.00 0.00 C ATOM 100 C SER A 8 3.760 -4.343 8.370 1.00 0.00 C ATOM 101 O SER A 8 4.090 -5.390 7.816 1.00 0.00 O ATOM 102 CB SER A 8 5.400 -2.480 8.087 1.00 0.00 C ATOM 103 OG SER A 8 5.687 -1.270 7.418 1.00 0.00 O ATOM 0 H SER A 8 3.361 -1.176 8.510 1.00 0.00 H new ATOM 0 HA SER A 8 3.973 -3.152 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.445 -2.325 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.155 -3.226 7.840 1.00 0.00 H new ATOM 0 HG SER A 8 5.513 -1.377 6.460 1.00 0.00 H new ATOM 109 N ALA A 9 3.162 -4.318 9.556 1.00 0.00 N ATOM 110 CA ALA A 9 2.878 -5.549 10.283 1.00 0.00 C ATOM 111 C ALA A 9 1.857 -6.386 9.525 1.00 0.00 C ATOM 112 O ALA A 9 2.065 -7.579 9.276 1.00 0.00 O ATOM 113 CB ALA A 9 2.381 -5.236 11.689 1.00 0.00 C ATOM 0 H ALA A 9 2.866 -3.465 10.031 1.00 0.00 H new ATOM 0 HA ALA A 9 3.800 -6.124 10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.174 -6.167 12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.144 -4.675 12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.469 -4.642 11.629 1.00 0.00 H new ATOM 119 N ILE A 10 0.764 -5.745 9.134 1.00 0.00 N ATOM 120 CA ILE A 10 -0.268 -6.415 8.361 1.00 0.00 C ATOM 121 C ILE A 10 0.233 -6.692 6.948 1.00 0.00 C ATOM 122 O ILE A 10 -0.094 -7.717 6.358 1.00 0.00 O ATOM 123 CB ILE A 10 -1.566 -5.579 8.311 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.058 -5.308 9.735 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.639 -6.295 7.498 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.322 -4.483 9.795 1.00 0.00 C ATOM 0 H ILE A 10 0.571 -4.765 9.340 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.497 -7.360 8.853 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.355 -4.628 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.232 -6.260 10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.273 -4.794 10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.544 -5.688 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.281 -6.450 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.859 -7.259 7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.609 -4.332 10.836 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.148 -3.516 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.122 -5.004 9.270 1.00 0.00 H new ATOM 138 N TYR A 11 1.048 -5.778 6.429 1.00 0.00 N ATOM 139 CA TYR A 11 1.684 -5.943 5.124 1.00 0.00 C ATOM 140 C TYR A 11 2.461 -7.255 5.051 1.00 0.00 C ATOM 141 O TYR A 11 2.361 -7.982 4.065 1.00 0.00 O ATOM 142 CB TYR A 11 2.605 -4.745 4.839 1.00 0.00 C ATOM 143 CG TYR A 11 3.798 -5.049 3.954 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.660 -5.225 2.580 1.00 0.00 C ATOM 145 CD2 TYR A 11 5.072 -5.156 4.502 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.758 -5.499 1.784 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.170 -5.429 3.713 1.00 0.00 C ATOM 148 CZ TYR A 11 6.009 -5.600 2.357 1.00 0.00 C ATOM 149 OH TYR A 11 7.107 -5.875 1.574 1.00 0.00 O ATOM 0 H TYR A 11 1.286 -4.905 6.899 1.00 0.00 H new ATOM 0 HA TYR A 11 0.906 -5.981 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.016 -3.957 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.967 -4.351 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.682 -5.147 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.204 -5.023 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.636 -5.633 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.151 -5.508 4.157 1.00 0.00 H new ATOM 0 HH TYR A 11 7.121 -5.267 0.805 1.00 0.00 H new ATOM 159 N LYS A 12 3.221 -7.563 6.096 1.00 0.00 N ATOM 160 CA LYS A 12 4.000 -8.794 6.117 1.00 0.00 C ATOM 161 C LYS A 12 3.085 -10.013 6.146 1.00 0.00 C ATOM 162 O LYS A 12 3.299 -10.976 5.408 1.00 0.00 O ATOM 163 CB LYS A 12 4.942 -8.838 7.319 1.00 0.00 C ATOM 164 CG LYS A 12 5.798 -10.092 7.341 1.00 0.00 C ATOM 165 CD LYS A 12 6.508 -10.271 8.668 1.00 0.00 C ATOM 166 CE LYS A 12 7.247 -11.599 8.712 1.00 0.00 C ATOM 167 NZ LYS A 12 7.791 -11.881 10.065 1.00 0.00 N ATOM 0 H LYS A 12 3.314 -6.984 6.931 1.00 0.00 H new ATOM 0 HA LYS A 12 4.597 -8.813 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.589 -7.961 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.357 -8.785 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.172 -10.962 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.535 -10.042 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.212 -9.453 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.784 -10.226 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.571 -12.402 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.062 -11.586 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.288 -12.795 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.455 -11.128 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.011 -11.918 10.752 1.00 0.00 H new ATOM 181 N GLU A 13 2.068 -9.969 7.003 1.00 0.00 N ATOM 182 CA GLU A 13 1.115 -11.069 7.109 1.00 0.00 C ATOM 183 C GLU A 13 0.402 -11.265 5.773 1.00 0.00 C ATOM 184 O GLU A 13 0.254 -12.387 5.288 1.00 0.00 O ATOM 185 CB GLU A 13 0.095 -10.783 8.213 1.00 0.00 C ATOM 186 CG GLU A 13 -0.793 -11.970 8.542 1.00 0.00 C ATOM 187 CD GLU A 13 -1.907 -11.614 9.501 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.627 -11.393 10.697 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.070 -11.546 9.062 1.00 0.00 O ATOM 0 H GLU A 13 1.884 -9.187 7.631 1.00 0.00 H new ATOM 0 HA GLU A 13 1.655 -11.981 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.625 -10.475 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.531 -9.944 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.223 -12.364 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.186 -12.765 8.975 1.00 0.00 H new ATOM 196 N TRP A 14 -0.018 -10.150 5.191 1.00 0.00 N ATOM 197 CA TRP A 14 -0.648 -10.131 3.878 1.00 0.00 C ATOM 198 C TRP A 14 0.274 -10.743 2.826 1.00 0.00 C ATOM 199 O TRP A 14 -0.130 -11.625 2.067 1.00 0.00 O ATOM 200 CB TRP A 14 -0.995 -8.681 3.520 1.00 0.00 C ATOM 201 CG TRP A 14 -1.442 -8.470 2.108 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.646 -8.806 1.569 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.688 -7.848 1.058 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.688 -8.438 0.248 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.499 -7.846 -0.089 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.593 -7.292 0.979 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.072 -7.310 -1.301 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.016 -6.761 -0.224 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.186 -6.775 -1.351 1.00 0.00 C ATOM 0 H TRP A 14 0.069 -9.228 5.619 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.559 -10.729 3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.782 -8.335 4.190 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.121 -8.057 3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.450 -9.291 2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.477 -8.582 -0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.240 -7.278 1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.712 -7.316 -2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.003 -6.328 -0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.546 -6.355 -2.279 1.00 0.00 H new ATOM 220 N TYR A 15 1.513 -10.268 2.805 1.00 0.00 N ATOM 221 CA TYR A 15 2.525 -10.745 1.872 1.00 0.00 C ATOM 222 C TYR A 15 2.749 -12.250 2.008 1.00 0.00 C ATOM 223 O TYR A 15 2.704 -12.977 1.019 1.00 0.00 O ATOM 224 CB TYR A 15 3.836 -9.980 2.103 1.00 0.00 C ATOM 225 CG TYR A 15 5.069 -10.652 1.536 1.00 0.00 C ATOM 226 CD1 TYR A 15 5.268 -10.761 0.166 1.00 0.00 C ATOM 227 CD2 TYR A 15 6.036 -11.179 2.384 1.00 0.00 C ATOM 228 CE1 TYR A 15 6.395 -11.377 -0.343 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.166 -11.794 1.885 1.00 0.00 C ATOM 230 CZ TYR A 15 7.341 -11.891 0.519 1.00 0.00 C ATOM 231 OH TYR A 15 8.466 -12.503 0.012 1.00 0.00 O ATOM 0 H TYR A 15 1.845 -9.539 3.437 1.00 0.00 H new ATOM 0 HA TYR A 15 2.172 -10.561 0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.744 -8.988 1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.975 -9.840 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.530 -10.358 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.900 -11.106 3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.535 -11.456 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.908 -12.197 2.558 1.00 0.00 H new ATOM 0 HH TYR A 15 9.033 -12.809 0.751 1.00 0.00 H new ATOM 241 N GLU A 16 2.979 -12.711 3.231 1.00 0.00 N ATOM 242 CA GLU A 16 3.280 -14.118 3.472 1.00 0.00 C ATOM 243 C GLU A 16 2.078 -15.000 3.135 1.00 0.00 C ATOM 244 O GLU A 16 2.231 -16.139 2.690 1.00 0.00 O ATOM 245 CB GLU A 16 3.708 -14.325 4.927 1.00 0.00 C ATOM 246 CG GLU A 16 4.227 -15.721 5.220 1.00 0.00 C ATOM 247 CD GLU A 16 4.613 -15.902 6.673 1.00 0.00 C ATOM 248 OE1 GLU A 16 3.703 -16.071 7.514 1.00 0.00 O ATOM 249 OE2 GLU A 16 5.825 -15.871 6.985 1.00 0.00 O ATOM 0 H GLU A 16 2.963 -12.133 4.071 1.00 0.00 H new ATOM 0 HA GLU A 16 4.103 -14.409 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.483 -13.600 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.859 -14.119 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.463 -16.452 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.093 -15.923 4.589 1.00 0.00 H new ATOM 256 N HIS A 17 0.883 -14.462 3.331 1.00 0.00 N ATOM 257 CA HIS A 17 -0.344 -15.193 3.038 1.00 0.00 C ATOM 258 C HIS A 17 -0.591 -15.260 1.531 1.00 0.00 C ATOM 259 O HIS A 17 -0.794 -16.338 0.973 1.00 0.00 O ATOM 260 CB HIS A 17 -1.531 -14.537 3.750 1.00 0.00 C ATOM 261 CG HIS A 17 -2.849 -15.206 3.494 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.202 -16.416 4.049 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.904 -14.821 2.742 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.415 -16.746 3.649 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.863 -15.794 2.856 1.00 0.00 N ATOM 0 H HIS A 17 0.736 -13.520 3.693 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.235 -16.213 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.340 -14.535 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.598 -13.495 3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.978 -13.915 2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.949 -17.643 3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.776 -15.783 2.401 1.00 0.00 H new ATOM 274 N LYS A 18 -0.550 -14.107 0.873 1.00 0.00 N ATOM 275 CA LYS A 18 -0.832 -14.033 -0.557 1.00 0.00 C ATOM 276 C LYS A 18 0.346 -14.553 -1.381 1.00 0.00 C ATOM 277 O LYS A 18 0.245 -14.706 -2.598 1.00 0.00 O ATOM 278 CB LYS A 18 -1.187 -12.597 -0.956 1.00 0.00 C ATOM 279 CG LYS A 18 -2.505 -12.114 -0.366 1.00 0.00 C ATOM 280 CD LYS A 18 -3.694 -12.835 -0.986 1.00 0.00 C ATOM 281 CE LYS A 18 -4.187 -12.134 -2.245 1.00 0.00 C ATOM 282 NZ LYS A 18 -5.031 -10.949 -1.923 1.00 0.00 N ATOM 0 H LYS A 18 -0.325 -13.211 1.306 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.689 -14.673 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.387 -11.930 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.238 -12.532 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.503 -12.275 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.605 -11.041 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.412 -13.860 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.505 -12.890 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.333 -11.820 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.761 -12.835 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.919 -10.231 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.029 -11.238 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.735 -10.550 -1.009 1.00 0.00 H new ATOM 296 N LYS A 19 1.456 -14.829 -0.703 1.00 0.00 N ATOM 297 CA LYS A 19 2.623 -15.452 -1.326 1.00 0.00 C ATOM 298 C LYS A 19 2.262 -16.823 -1.896 1.00 0.00 C ATOM 299 O LYS A 19 2.865 -17.284 -2.864 1.00 0.00 O ATOM 300 CB LYS A 19 3.753 -15.584 -0.297 1.00 0.00 C ATOM 301 CG LYS A 19 4.963 -16.365 -0.786 1.00 0.00 C ATOM 302 CD LYS A 19 6.062 -16.395 0.265 1.00 0.00 C ATOM 303 CE LYS A 19 7.226 -17.278 -0.160 1.00 0.00 C ATOM 304 NZ LYS A 19 6.874 -18.724 -0.134 1.00 0.00 N ATOM 0 H LYS A 19 1.573 -14.629 0.290 1.00 0.00 H new ATOM 0 HA LYS A 19 2.961 -14.820 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.076 -14.586 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.359 -16.070 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.665 -17.384 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.345 -15.913 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.421 -15.382 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.654 -16.760 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.542 -17.001 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.075 -17.100 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.729 -19.292 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.470 -18.966 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.177 -18.925 -0.879 1.00 0.00 H new ATOM 318 N GLN A 20 1.264 -17.459 -1.293 1.00 0.00 N ATOM 319 CA GLN A 20 0.807 -18.768 -1.743 1.00 0.00 C ATOM 320 C GLN A 20 -0.001 -18.632 -3.030 1.00 0.00 C ATOM 321 O GLN A 20 -0.171 -19.598 -3.779 1.00 0.00 O ATOM 322 CB GLN A 20 -0.059 -19.425 -0.667 1.00 0.00 C ATOM 323 CG GLN A 20 0.601 -19.501 0.700 1.00 0.00 C ATOM 324 CD GLN A 20 -0.300 -20.124 1.751 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.607 -19.971 1.588 1.00 0.00 O flip ATOM 326 NE2 GLN A 20 0.172 -20.750 2.699 1.00 0.00 N flip ATOM 0 H GLN A 20 0.755 -17.089 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 20 1.681 -19.391 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.992 -18.869 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.318 -20.433 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.520 -20.083 0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.884 -18.498 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.183 -20.848 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.448 -21.171 3.391 1.00 0.00 H new ATOM 335 N VAL A 21 -0.492 -17.428 -3.280 1.00 0.00 N ATOM 336 CA VAL A 21 -1.342 -17.168 -4.432 1.00 0.00 C ATOM 337 C VAL A 21 -0.506 -16.734 -5.630 1.00 0.00 C ATOM 338 O VAL A 21 -0.756 -17.149 -6.762 1.00 0.00 O ATOM 339 CB VAL A 21 -2.392 -16.081 -4.120 1.00 0.00 C ATOM 340 CG1 VAL A 21 -3.356 -15.904 -5.282 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.144 -16.416 -2.842 1.00 0.00 C ATOM 0 H VAL A 21 -0.315 -16.610 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.860 -18.097 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.868 -15.137 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.085 -15.132 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.802 -15.608 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.873 -16.844 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.880 -15.638 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.651 -17.374 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.441 -16.477 -2.011 1.00 0.00 H new ATOM 351 N TRP A 22 0.494 -15.908 -5.374 1.00 0.00 N ATOM 352 CA TRP A 22 1.355 -15.406 -6.435 1.00 0.00 C ATOM 353 C TRP A 22 2.565 -16.310 -6.624 1.00 0.00 C ATOM 354 O TRP A 22 2.716 -17.325 -5.943 1.00 0.00 O ATOM 355 CB TRP A 22 1.840 -13.989 -6.121 1.00 0.00 C ATOM 356 CG TRP A 22 0.740 -12.994 -5.909 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.369 -12.811 -6.686 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.662 -12.025 -4.861 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.136 -11.791 -6.176 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.523 -11.293 -5.056 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.478 -11.711 -3.772 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.908 -10.262 -4.202 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.094 -10.689 -2.926 1.00 0.00 C ATOM 364 CH2 TRP A 22 -0.089 -9.975 -3.146 1.00 0.00 C ATOM 0 H TRP A 22 0.731 -15.570 -4.441 1.00 0.00 H new ATOM 0 HA TRP A 22 0.766 -15.392 -7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.463 -14.020 -5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.473 -13.645 -6.939 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.608 -13.383 -7.570 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.018 -11.459 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.393 -12.257 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.821 -9.709 -4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.717 -10.437 -2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.361 -9.180 -2.467 1.00 0.00 H new ATOM 375 N SER A 23 3.416 -15.940 -7.566 1.00 0.00 N ATOM 376 CA SER A 23 4.685 -16.618 -7.760 1.00 0.00 C ATOM 377 C SER A 23 5.732 -15.980 -6.848 1.00 0.00 C ATOM 378 O SER A 23 5.669 -14.776 -6.586 1.00 0.00 O ATOM 379 CB SER A 23 5.101 -16.516 -9.226 1.00 0.00 C ATOM 380 OG SER A 23 4.024 -16.877 -10.080 1.00 0.00 O ATOM 0 H SER A 23 3.249 -15.169 -8.212 1.00 0.00 H new ATOM 0 HA SER A 23 4.592 -17.674 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.422 -15.498 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.954 -17.168 -9.413 1.00 0.00 H new ATOM 0 HG SER A 23 4.309 -16.804 -11.015 1.00 0.00 H new ATOM 386 N VAL A 24 6.685 -16.772 -6.368 1.00 0.00 N ATOM 387 CA VAL A 24 7.630 -16.300 -5.356 1.00 0.00 C ATOM 388 C VAL A 24 8.457 -15.107 -5.853 1.00 0.00 C ATOM 389 O VAL A 24 8.628 -14.126 -5.128 1.00 0.00 O ATOM 390 CB VAL A 24 8.568 -17.431 -4.862 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.440 -17.963 -5.987 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.424 -16.951 -3.699 1.00 0.00 C ATOM 0 H VAL A 24 6.825 -17.739 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 24 7.027 -15.967 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 24 7.941 -18.252 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.085 -18.754 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.808 -18.362 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.054 -17.155 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.075 -17.760 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.032 -16.105 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.780 -16.644 -2.875 1.00 0.00 H new ATOM 402 N GLY A 25 8.937 -15.176 -7.091 1.00 0.00 N ATOM 403 CA GLY A 25 9.732 -14.092 -7.641 1.00 0.00 C ATOM 404 C GLY A 25 8.916 -12.829 -7.814 1.00 0.00 C ATOM 405 O GLY A 25 9.355 -11.738 -7.444 1.00 0.00 O ATOM 0 H GLY A 25 8.790 -15.963 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.578 -13.891 -6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.142 -14.395 -8.604 1.00 0.00 H new ATOM 409 N TYR A 26 7.718 -12.987 -8.364 1.00 0.00 N ATOM 410 CA TYR A 26 6.793 -11.875 -8.531 1.00 0.00 C ATOM 411 C TYR A 26 6.479 -11.240 -7.181 1.00 0.00 C ATOM 412 O TYR A 26 6.525 -10.018 -7.033 1.00 0.00 O ATOM 413 CB TYR A 26 5.500 -12.357 -9.202 1.00 0.00 C ATOM 414 CG TYR A 26 4.460 -11.272 -9.389 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.517 -10.410 -10.477 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.424 -11.110 -8.477 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.573 -9.416 -10.650 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.476 -10.117 -8.643 1.00 0.00 C ATOM 419 CZ TYR A 26 2.556 -9.274 -9.730 1.00 0.00 C ATOM 420 OH TYR A 26 1.615 -8.283 -9.899 1.00 0.00 O ATOM 0 H TYR A 26 7.364 -13.881 -8.704 1.00 0.00 H new ATOM 0 HA TYR A 26 7.261 -11.126 -9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.745 -12.782 -10.175 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.069 -13.159 -8.603 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.312 -10.519 -11.200 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.358 -11.770 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.631 -8.754 -11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.678 -10.003 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 26 0.967 -8.319 -9.165 1.00 0.00 H new ATOM 430 N ALA A 27 6.178 -12.081 -6.197 1.00 0.00 N ATOM 431 CA ALA A 27 5.853 -11.612 -4.858 1.00 0.00 C ATOM 432 C ALA A 27 7.036 -10.884 -4.232 1.00 0.00 C ATOM 433 O ALA A 27 6.859 -9.893 -3.525 1.00 0.00 O ATOM 434 CB ALA A 27 5.419 -12.777 -3.980 1.00 0.00 C ATOM 0 H ALA A 27 6.153 -13.095 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 27 5.026 -10.906 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.179 -12.411 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.539 -13.251 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.228 -13.505 -3.915 1.00 0.00 H new ATOM 440 N THR A 28 8.241 -11.369 -4.508 1.00 0.00 N ATOM 441 CA THR A 28 9.449 -10.749 -3.986 1.00 0.00 C ATOM 442 C THR A 28 9.624 -9.335 -4.540 1.00 0.00 C ATOM 443 O THR A 28 9.840 -8.389 -3.783 1.00 0.00 O ATOM 444 CB THR A 28 10.700 -11.589 -4.310 1.00 0.00 C ATOM 445 OG1 THR A 28 10.544 -12.915 -3.787 1.00 0.00 O ATOM 446 CG2 THR A 28 11.952 -10.957 -3.717 1.00 0.00 C ATOM 0 H THR A 28 8.406 -12.190 -5.091 1.00 0.00 H new ATOM 0 HA THR A 28 9.338 -10.695 -2.903 1.00 0.00 H new ATOM 0 HB THR A 28 10.810 -11.629 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.743 -13.327 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.820 -11.570 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.086 -9.958 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.848 -10.890 -2.634 1.00 0.00 H new ATOM 454 N GLU A 29 9.508 -9.186 -5.856 1.00 0.00 N ATOM 455 CA GLU A 29 9.667 -7.877 -6.479 1.00 0.00 C ATOM 456 C GLU A 29 8.517 -6.952 -6.102 1.00 0.00 C ATOM 457 O GLU A 29 8.692 -5.735 -6.014 1.00 0.00 O ATOM 458 CB GLU A 29 9.775 -7.997 -7.999 1.00 0.00 C ATOM 459 CG GLU A 29 10.991 -8.780 -8.459 1.00 0.00 C ATOM 460 CD GLU A 29 11.363 -8.476 -9.892 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.672 -8.962 -10.812 1.00 0.00 O ATOM 462 OE2 GLU A 29 12.348 -7.741 -10.108 1.00 0.00 O ATOM 0 H GLU A 29 9.307 -9.946 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 29 10.595 -7.445 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.876 -8.479 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.811 -6.998 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.836 -8.549 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.793 -9.847 -8.356 1.00 0.00 H new ATOM 469 N LEU A 30 7.343 -7.534 -5.886 1.00 0.00 N ATOM 470 CA LEU A 30 6.192 -6.786 -5.397 1.00 0.00 C ATOM 471 C LEU A 30 6.479 -6.241 -4.003 1.00 0.00 C ATOM 472 O LEU A 30 6.352 -5.040 -3.751 1.00 0.00 O ATOM 473 CB LEU A 30 4.956 -7.689 -5.344 1.00 0.00 C ATOM 474 CG LEU A 30 3.701 -7.042 -4.754 1.00 0.00 C ATOM 475 CD1 LEU A 30 3.005 -6.164 -5.781 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.752 -8.101 -4.228 1.00 0.00 C ATOM 0 H LEU A 30 7.163 -8.526 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 30 6.002 -5.958 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.730 -8.028 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.198 -8.575 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 30 4.008 -6.409 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.117 -5.717 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.684 -5.376 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.715 -6.769 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.866 -7.621 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.458 -8.763 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.249 -8.681 -3.450 1.00 0.00 H new ATOM 488 N ALA A 31 6.879 -7.139 -3.110 1.00 0.00 N ATOM 489 CA ALA A 31 7.156 -6.789 -1.726 1.00 0.00 C ATOM 490 C ALA A 31 8.307 -5.799 -1.626 1.00 0.00 C ATOM 491 O ALA A 31 8.234 -4.839 -0.862 1.00 0.00 O ATOM 492 CB ALA A 31 7.463 -8.038 -0.917 1.00 0.00 C ATOM 0 H ALA A 31 7.019 -8.126 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 31 6.266 -6.312 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.668 -7.760 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.607 -8.712 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.335 -8.539 -1.338 1.00 0.00 H new ATOM 498 N LYS A 32 9.361 -6.032 -2.403 1.00 0.00 N ATOM 499 CA LYS A 32 10.523 -5.152 -2.399 1.00 0.00 C ATOM 500 C LYS A 32 10.139 -3.738 -2.821 1.00 0.00 C ATOM 501 O LYS A 32 10.569 -2.763 -2.208 1.00 0.00 O ATOM 502 CB LYS A 32 11.623 -5.697 -3.314 1.00 0.00 C ATOM 503 CG LYS A 32 12.831 -4.781 -3.408 1.00 0.00 C ATOM 504 CD LYS A 32 13.975 -5.421 -4.174 1.00 0.00 C ATOM 505 CE LYS A 32 15.150 -4.465 -4.309 1.00 0.00 C ATOM 506 NZ LYS A 32 15.587 -3.929 -2.992 1.00 0.00 N ATOM 0 H LYS A 32 9.433 -6.823 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 32 10.907 -5.114 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.942 -6.672 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.213 -5.851 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.543 -3.851 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.168 -4.522 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.297 -6.327 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.631 -5.720 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.984 -4.981 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.871 -3.638 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.548 -3.540 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.935 -3.178 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.585 -4.694 -2.288 1.00 0.00 H new ATOM 520 N MET A 33 9.320 -3.632 -3.860 1.00 0.00 N ATOM 521 CA MET A 33 8.845 -2.334 -4.326 1.00 0.00 C ATOM 522 C MET A 33 8.011 -1.662 -3.241 1.00 0.00 C ATOM 523 O MET A 33 8.179 -0.482 -2.945 1.00 0.00 O ATOM 524 CB MET A 33 8.008 -2.500 -5.594 1.00 0.00 C ATOM 525 CG MET A 33 7.456 -1.191 -6.131 1.00 0.00 C ATOM 526 SD MET A 33 6.307 -1.429 -7.501 1.00 0.00 S ATOM 527 CE MET A 33 5.005 -2.360 -6.693 1.00 0.00 C ATOM 0 H MET A 33 8.971 -4.427 -4.395 1.00 0.00 H new ATOM 0 HA MET A 33 9.708 -1.708 -4.552 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.619 -2.971 -6.364 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.179 -3.177 -5.387 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.950 -0.658 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.282 -0.561 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.035 -2.012 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.118 -3.419 -6.924 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.070 -2.215 -5.615 1.00 0.00 H new ATOM 537 N PHE A 34 7.120 -2.440 -2.646 1.00 0.00 N ATOM 538 CA PHE A 34 6.262 -1.958 -1.571 1.00 0.00 C ATOM 539 C PHE A 34 7.117 -1.491 -0.387 1.00 0.00 C ATOM 540 O PHE A 34 6.769 -0.550 0.317 1.00 0.00 O ATOM 541 CB PHE A 34 5.327 -3.090 -1.134 1.00 0.00 C ATOM 542 CG PHE A 34 4.043 -2.631 -0.507 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.014 -2.152 0.794 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.858 -2.685 -1.224 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.828 -1.736 1.364 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.670 -2.270 -0.659 1.00 0.00 C ATOM 547 CZ PHE A 34 1.654 -1.796 0.637 1.00 0.00 C ATOM 0 H PHE A 34 6.970 -3.419 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 34 5.670 -1.113 -1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.093 -3.706 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.855 -3.727 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.928 -2.104 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.865 -3.057 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.817 -1.364 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.754 -2.316 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.725 -1.472 1.083 1.00 0.00 H new ATOM 557 N ASP A 35 8.249 -2.152 -0.188 1.00 0.00 N ATOM 558 CA ASP A 35 9.143 -1.834 0.921 1.00 0.00 C ATOM 559 C ASP A 35 10.001 -0.605 0.613 1.00 0.00 C ATOM 560 O ASP A 35 9.921 0.399 1.310 1.00 0.00 O ATOM 561 CB ASP A 35 10.032 -3.042 1.244 1.00 0.00 C ATOM 562 CG ASP A 35 11.056 -2.763 2.330 1.00 0.00 C ATOM 563 OD1 ASP A 35 10.739 -2.960 3.522 1.00 0.00 O ATOM 564 OD2 ASP A 35 12.194 -2.375 1.993 1.00 0.00 O ATOM 0 H ASP A 35 8.573 -2.915 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 35 8.531 -1.600 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.402 -3.875 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.550 -3.355 0.338 1.00 0.00 H new ATOM 569 N ASP A 36 10.789 -0.669 -0.453 1.00 0.00 N ATOM 570 CA ASP A 36 11.758 0.390 -0.750 1.00 0.00 C ATOM 571 C ASP A 36 11.089 1.708 -1.133 1.00 0.00 C ATOM 572 O ASP A 36 11.741 2.755 -1.167 1.00 0.00 O ATOM 573 CB ASP A 36 12.724 -0.040 -1.861 1.00 0.00 C ATOM 574 CG ASP A 36 13.769 -1.031 -1.383 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.580 -0.672 -0.496 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.790 -2.176 -1.886 1.00 0.00 O ATOM 0 H ASP A 36 10.780 -1.436 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 36 12.317 0.556 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.156 -0.485 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.223 0.842 -2.263 1.00 0.00 H new ATOM 581 N ASP A 37 9.800 1.668 -1.429 1.00 0.00 N ATOM 582 CA ASP A 37 9.076 2.877 -1.805 1.00 0.00 C ATOM 583 C ASP A 37 8.080 3.308 -0.731 1.00 0.00 C ATOM 584 O ASP A 37 8.045 4.475 -0.342 1.00 0.00 O ATOM 585 CB ASP A 37 8.348 2.674 -3.137 1.00 0.00 C ATOM 586 CG ASP A 37 9.277 2.763 -4.334 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.090 1.839 -4.538 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.204 3.763 -5.073 1.00 0.00 O ATOM 0 H ASP A 37 9.235 0.819 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 37 9.814 3.672 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.859 1.700 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.563 3.424 -3.235 1.00 0.00 H new ATOM 593 N ILE A 38 7.285 2.367 -0.239 1.00 0.00 N ATOM 594 CA ILE A 38 6.160 2.692 0.635 1.00 0.00 C ATOM 595 C ILE A 38 6.545 2.667 2.120 1.00 0.00 C ATOM 596 O ILE A 38 5.990 3.421 2.925 1.00 0.00 O ATOM 597 CB ILE A 38 4.988 1.717 0.383 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.704 1.629 -1.122 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.745 2.146 1.149 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.487 0.802 -1.479 1.00 0.00 C ATOM 0 H ILE A 38 7.397 1.371 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 38 5.853 3.710 0.393 1.00 0.00 H new ATOM 0 HB ILE A 38 5.269 0.729 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.572 2.637 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.576 1.205 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.936 1.442 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.963 2.161 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.445 3.143 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.359 0.792 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.622 -0.218 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.603 1.236 -1.013 1.00 0.00 H new ATOM 612 N LEU A 39 7.505 1.820 2.476 1.00 0.00 N ATOM 613 CA LEU A 39 7.914 1.660 3.878 1.00 0.00 C ATOM 614 C LEU A 39 8.403 2.973 4.507 1.00 0.00 C ATOM 615 O LEU A 39 7.971 3.317 5.609 1.00 0.00 O ATOM 616 CB LEU A 39 8.992 0.581 4.011 1.00 0.00 C ATOM 617 CG LEU A 39 8.595 -0.642 4.836 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.477 -0.273 6.306 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.287 -1.231 4.323 1.00 0.00 C ATOM 0 H LEU A 39 8.017 1.232 1.819 1.00 0.00 H new ATOM 0 HA LEU A 39 7.024 1.350 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.275 0.248 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.878 1.030 4.460 1.00 0.00 H new ATOM 0 HG LEU A 39 9.373 -1.398 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.194 -1.155 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.436 0.102 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.717 0.499 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.020 -2.101 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.497 -0.483 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.406 -1.531 3.282 1.00 0.00 H new ATOM 631 N PRO A 40 9.304 3.737 3.843 1.00 0.00 N ATOM 632 CA PRO A 40 9.796 5.015 4.382 1.00 0.00 C ATOM 633 C PRO A 40 8.717 6.099 4.416 1.00 0.00 C ATOM 634 O PRO A 40 8.992 7.251 4.755 1.00 0.00 O ATOM 635 CB PRO A 40 10.920 5.420 3.416 1.00 0.00 C ATOM 636 CG PRO A 40 11.231 4.192 2.631 1.00 0.00 C ATOM 637 CD PRO A 40 9.945 3.426 2.553 1.00 0.00 C ATOM 0 HA PRO A 40 10.123 4.905 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.603 6.233 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.797 5.771 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.597 4.445 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.009 3.603 3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.334 3.746 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.117 2.356 2.434 1.00 0.00 H new ATOM 645 N ILE A 41 7.495 5.734 4.054 1.00 0.00 N ATOM 646 CA ILE A 41 6.394 6.679 4.044 1.00 0.00 C ATOM 647 C ILE A 41 5.382 6.362 5.145 1.00 0.00 C ATOM 648 O ILE A 41 5.148 7.178 6.034 1.00 0.00 O ATOM 649 CB ILE A 41 5.670 6.687 2.680 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.673 6.843 1.528 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.641 7.805 2.639 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.459 8.137 1.563 1.00 0.00 C ATOM 0 H ILE A 41 7.244 4.789 3.764 1.00 0.00 H new ATOM 0 HA ILE A 41 6.824 7.664 4.224 1.00 0.00 H new ATOM 0 HB ILE A 41 5.159 5.732 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.371 6.006 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.135 6.783 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.137 7.801 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.908 7.654 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.139 8.764 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.145 8.169 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.772 8.982 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.027 8.193 2.492 1.00 0.00 H new ATOM 664 N ILE A 42 4.789 5.171 5.093 1.00 0.00 N ATOM 665 CA ILE A 42 3.714 4.821 6.021 1.00 0.00 C ATOM 666 C ILE A 42 4.000 3.530 6.783 1.00 0.00 C ATOM 667 O ILE A 42 3.093 2.953 7.381 1.00 0.00 O ATOM 668 CB ILE A 42 2.366 4.640 5.292 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.461 3.500 4.281 1.00 0.00 C ATOM 670 CG2 ILE A 42 1.944 5.930 4.606 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.114 2.989 3.836 1.00 0.00 C ATOM 0 H ILE A 42 5.031 4.438 4.426 1.00 0.00 H new ATOM 0 HA ILE A 42 3.658 5.655 6.721 1.00 0.00 H new ATOM 0 HB ILE A 42 1.606 4.387 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.019 3.841 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.027 2.679 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.991 5.778 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.837 6.720 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.701 6.219 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.251 2.180 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.562 2.618 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.554 3.799 3.368 1.00 0.00 H new ATOM 683 N GLY A 43 5.254 3.094 6.775 1.00 0.00 N ATOM 684 CA GLY A 43 5.608 1.820 7.386 1.00 0.00 C ATOM 685 C GLY A 43 5.119 1.680 8.819 1.00 0.00 C ATOM 686 O GLY A 43 4.423 0.719 9.159 1.00 0.00 O ATOM 0 H GLY A 43 6.035 3.599 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.191 1.010 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.692 1.705 7.367 1.00 0.00 H new ATOM 690 N GLY A 44 5.456 2.653 9.651 1.00 0.00 N ATOM 691 CA GLY A 44 5.112 2.577 11.056 1.00 0.00 C ATOM 692 C GLY A 44 3.810 3.276 11.396 1.00 0.00 C ATOM 693 O GLY A 44 3.561 3.587 12.562 1.00 0.00 O ATOM 0 H GLY A 44 5.962 3.495 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.041 1.529 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.917 3.018 11.644 1.00 0.00 H new ATOM 697 N LEU A 45 2.972 3.524 10.398 1.00 0.00 N ATOM 698 CA LEU A 45 1.693 4.173 10.640 1.00 0.00 C ATOM 699 C LEU A 45 0.608 3.132 10.856 1.00 0.00 C ATOM 700 O LEU A 45 0.702 2.015 10.339 1.00 0.00 O ATOM 701 CB LEU A 45 1.322 5.091 9.469 1.00 0.00 C ATOM 702 CG LEU A 45 2.174 6.355 9.337 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.825 7.105 8.061 1.00 0.00 C ATOM 704 CD2 LEU A 45 1.979 7.257 10.546 1.00 0.00 C ATOM 0 H LEU A 45 3.153 3.288 9.422 1.00 0.00 H new ATOM 0 HA LEU A 45 1.781 4.782 11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.400 4.521 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.278 5.385 9.576 1.00 0.00 H new ATOM 0 HG LEU A 45 3.221 6.057 9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.441 8.001 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.010 6.463 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.773 7.389 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.592 8.151 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.930 7.543 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.275 6.724 11.449 1.00 0.00 H new ATOM 716 N GLU A 46 -0.407 3.483 11.638 1.00 0.00 N ATOM 717 CA GLU A 46 -1.531 2.588 11.860 1.00 0.00 C ATOM 718 C GLU A 46 -2.347 2.461 10.592 1.00 0.00 C ATOM 719 O GLU A 46 -2.702 3.459 9.979 1.00 0.00 O ATOM 720 CB GLU A 46 -2.431 3.088 12.989 1.00 0.00 C ATOM 721 CG GLU A 46 -1.784 3.052 14.358 1.00 0.00 C ATOM 722 CD GLU A 46 -2.752 3.431 15.456 1.00 0.00 C ATOM 723 OE1 GLU A 46 -3.485 2.543 15.938 1.00 0.00 O ATOM 724 OE2 GLU A 46 -2.779 4.614 15.850 1.00 0.00 O ATOM 0 H GLU A 46 -0.473 4.377 12.125 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.129 1.616 12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.736 4.111 12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.338 2.483 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.395 2.052 14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.933 3.733 14.374 1.00 0.00 H new ATOM 731 N ILE A 47 -2.663 1.236 10.221 1.00 0.00 N ATOM 732 CA ILE A 47 -3.390 0.972 8.988 1.00 0.00 C ATOM 733 C ILE A 47 -4.801 1.571 9.037 1.00 0.00 C ATOM 734 O ILE A 47 -5.458 1.739 8.011 1.00 0.00 O ATOM 735 CB ILE A 47 -3.463 -0.545 8.721 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.801 -0.814 7.256 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.485 -1.204 9.638 1.00 0.00 C ATOM 738 CD1 ILE A 47 -3.615 -2.255 6.848 1.00 0.00 C ATOM 0 H ILE A 47 -2.427 0.401 10.757 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.848 1.449 8.171 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.486 -0.979 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.835 -0.523 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.175 -0.183 6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.521 -2.274 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.199 -1.043 10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.468 -0.768 9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.874 -2.371 5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.575 -2.545 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.261 -2.891 7.453 1.00 0.00 H new ATOM 750 N GLN A 48 -5.248 1.905 10.238 1.00 0.00 N ATOM 751 CA GLN A 48 -6.573 2.473 10.438 1.00 0.00 C ATOM 752 C GLN A 48 -6.491 3.996 10.572 1.00 0.00 C ATOM 753 O GLN A 48 -7.506 4.693 10.524 1.00 0.00 O ATOM 754 CB GLN A 48 -7.205 1.844 11.684 1.00 0.00 C ATOM 755 CG GLN A 48 -8.620 2.310 11.986 1.00 0.00 C ATOM 756 CD GLN A 48 -9.223 1.574 13.165 1.00 0.00 C ATOM 757 OE1 GLN A 48 -8.923 0.405 13.396 1.00 0.00 O ATOM 758 NE2 GLN A 48 -10.072 2.250 13.916 1.00 0.00 N ATOM 0 H GLN A 48 -4.708 1.791 11.096 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.198 2.253 9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.212 0.761 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.574 2.064 12.545 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.612 3.380 12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.246 2.160 11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.294 3.219 13.689 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.506 1.803 14.723 1.00 0.00 H new ATOM 767 N ASP A 49 -5.275 4.510 10.711 1.00 0.00 N ATOM 768 CA ASP A 49 -5.066 5.942 10.887 1.00 0.00 C ATOM 769 C ASP A 49 -3.851 6.405 10.096 1.00 0.00 C ATOM 770 O ASP A 49 -2.734 6.453 10.612 1.00 0.00 O ATOM 771 CB ASP A 49 -4.893 6.291 12.370 1.00 0.00 C ATOM 772 CG ASP A 49 -4.732 7.782 12.609 1.00 0.00 C ATOM 773 OD1 ASP A 49 -5.714 8.533 12.423 1.00 0.00 O ATOM 774 OD2 ASP A 49 -3.630 8.207 13.012 1.00 0.00 O ATOM 0 H ASP A 49 -4.418 3.956 10.705 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.949 6.460 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.758 5.930 12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.020 5.769 12.762 1.00 0.00 H new ATOM 779 N ILE A 50 -4.067 6.700 8.827 1.00 0.00 N ATOM 780 CA ILE A 50 -3.002 7.193 7.969 1.00 0.00 C ATOM 781 C ILE A 50 -3.404 8.524 7.356 1.00 0.00 C ATOM 782 O ILE A 50 -4.493 8.658 6.800 1.00 0.00 O ATOM 783 CB ILE A 50 -2.652 6.186 6.846 1.00 0.00 C ATOM 784 CG1 ILE A 50 -2.086 4.901 7.450 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.655 6.795 5.865 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.749 3.835 6.432 1.00 0.00 C ATOM 0 H ILE A 50 -4.972 6.607 8.366 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.115 7.324 8.589 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.565 5.947 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.187 5.144 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.809 4.496 8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.423 6.070 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.088 7.688 5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.741 7.063 6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.354 2.957 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.649 3.560 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.001 4.218 5.738 1.00 0.00 H new ATOM 798 N GLU A 51 -2.522 9.505 7.480 1.00 0.00 N ATOM 799 CA GLU A 51 -2.767 10.817 6.911 1.00 0.00 C ATOM 800 C GLU A 51 -2.781 10.738 5.389 1.00 0.00 C ATOM 801 O GLU A 51 -1.934 10.074 4.786 1.00 0.00 O ATOM 802 CB GLU A 51 -1.691 11.806 7.370 1.00 0.00 C ATOM 803 CG GLU A 51 -1.611 11.970 8.877 1.00 0.00 C ATOM 804 CD GLU A 51 -2.934 12.392 9.484 1.00 0.00 C ATOM 805 OE1 GLU A 51 -3.366 13.536 9.239 1.00 0.00 O ATOM 806 OE2 GLU A 51 -3.549 11.581 10.198 1.00 0.00 O ATOM 0 H GLU A 51 -1.632 9.415 7.970 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.739 11.167 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.722 11.472 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.888 12.778 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.292 11.029 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.850 12.712 9.119 1.00 0.00 H new ATOM 813 N PRO A 52 -3.760 11.404 4.754 1.00 0.00 N ATOM 814 CA PRO A 52 -3.875 11.445 3.291 1.00 0.00 C ATOM 815 C PRO A 52 -2.588 11.923 2.636 1.00 0.00 C ATOM 816 O PRO A 52 -2.234 11.484 1.543 1.00 0.00 O ATOM 817 CB PRO A 52 -5.001 12.453 3.046 1.00 0.00 C ATOM 818 CG PRO A 52 -5.804 12.449 4.299 1.00 0.00 C ATOM 819 CD PRO A 52 -4.840 12.157 5.415 1.00 0.00 C ATOM 0 HA PRO A 52 -4.072 10.460 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.603 13.446 2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.608 12.165 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.294 13.411 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.589 11.694 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.467 13.073 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.309 11.573 6.207 1.00 0.00 H new ATOM 827 N MET A 53 -1.885 12.813 3.327 1.00 0.00 N ATOM 828 CA MET A 53 -0.611 13.341 2.853 1.00 0.00 C ATOM 829 C MET A 53 0.392 12.210 2.660 1.00 0.00 C ATOM 830 O MET A 53 1.102 12.162 1.660 1.00 0.00 O ATOM 831 CB MET A 53 -0.047 14.352 3.855 1.00 0.00 C ATOM 832 CG MET A 53 -0.986 15.507 4.158 1.00 0.00 C ATOM 833 SD MET A 53 -0.355 16.590 5.455 1.00 0.00 S ATOM 834 CE MET A 53 1.104 17.263 4.662 1.00 0.00 C ATOM 0 H MET A 53 -2.181 13.188 4.228 1.00 0.00 H new ATOM 0 HA MET A 53 -0.782 13.838 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.189 13.834 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.890 14.751 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.146 16.088 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.956 15.112 4.459 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.451 18.135 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.890 16.508 4.645 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.860 17.557 3.641 1.00 0.00 H new ATOM 844 N GLN A 54 0.424 11.296 3.620 1.00 0.00 N ATOM 845 CA GLN A 54 1.367 10.187 3.601 1.00 0.00 C ATOM 846 C GLN A 54 0.982 9.142 2.561 1.00 0.00 C ATOM 847 O GLN A 54 1.833 8.642 1.835 1.00 0.00 O ATOM 848 CB GLN A 54 1.462 9.539 4.983 1.00 0.00 C ATOM 849 CG GLN A 54 2.577 10.100 5.857 1.00 0.00 C ATOM 850 CD GLN A 54 2.428 11.577 6.157 1.00 0.00 C ATOM 851 OE1 GLN A 54 1.319 12.110 6.232 1.00 0.00 O ATOM 852 NE2 GLN A 54 3.550 12.255 6.331 1.00 0.00 N ATOM 0 H GLN A 54 -0.198 11.302 4.428 1.00 0.00 H new ATOM 0 HA GLN A 54 2.342 10.591 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.511 9.668 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.616 8.467 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.603 9.548 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.534 9.933 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.449 11.779 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.516 13.254 6.535 1.00 0.00 H new ATOM 861 N LEU A 55 -0.298 8.815 2.481 1.00 0.00 N ATOM 862 CA LEU A 55 -0.753 7.823 1.513 1.00 0.00 C ATOM 863 C LEU A 55 -0.535 8.348 0.093 1.00 0.00 C ATOM 864 O LEU A 55 -0.137 7.606 -0.816 1.00 0.00 O ATOM 865 CB LEU A 55 -2.225 7.472 1.749 1.00 0.00 C ATOM 866 CG LEU A 55 -2.736 6.256 0.970 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.880 5.033 1.266 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.192 5.979 1.316 1.00 0.00 C ATOM 0 H LEU A 55 -1.033 9.214 3.065 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.171 6.910 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.373 7.290 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.835 8.336 1.485 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.667 6.476 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.258 4.179 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.849 5.231 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.919 4.811 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.541 5.112 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.281 5.779 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.799 6.847 1.058 1.00 0.00 H new ATOM 880 N LEU A 56 -0.763 9.643 -0.087 1.00 0.00 N ATOM 881 CA LEU A 56 -0.511 10.280 -1.368 1.00 0.00 C ATOM 882 C LEU A 56 0.986 10.332 -1.624 1.00 0.00 C ATOM 883 O LEU A 56 1.429 10.226 -2.761 1.00 0.00 O ATOM 884 CB LEU A 56 -1.085 11.694 -1.400 1.00 0.00 C ATOM 885 CG LEU A 56 -1.276 12.273 -2.800 1.00 0.00 C ATOM 886 CD1 LEU A 56 -2.671 11.986 -3.307 1.00 0.00 C ATOM 887 CD2 LEU A 56 -0.983 13.761 -2.809 1.00 0.00 C ATOM 0 H LEU A 56 -1.120 10.268 0.636 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.000 9.694 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.047 11.693 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.424 12.353 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.568 11.790 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.789 12.406 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.830 10.908 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.402 12.436 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.125 14.154 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.660 14.269 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.047 13.931 -2.495 1.00 0.00 H new ATOM 899 N GLU A 57 1.759 10.488 -0.553 1.00 0.00 N ATOM 900 CA GLU A 57 3.215 10.507 -0.635 1.00 0.00 C ATOM 901 C GLU A 57 3.728 9.167 -1.159 1.00 0.00 C ATOM 902 O GLU A 57 4.771 9.101 -1.809 1.00 0.00 O ATOM 903 CB GLU A 57 3.813 10.802 0.744 1.00 0.00 C ATOM 904 CG GLU A 57 5.298 11.132 0.733 1.00 0.00 C ATOM 905 CD GLU A 57 5.595 12.474 0.100 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.148 13.505 0.642 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.298 12.510 -0.934 1.00 0.00 O ATOM 0 H GLU A 57 1.395 10.604 0.393 1.00 0.00 H new ATOM 0 HA GLU A 57 3.521 11.293 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.272 11.637 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.651 9.938 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.674 11.126 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.835 10.353 0.192 1.00 0.00 H new ATOM 914 N VAL A 58 2.984 8.101 -0.869 1.00 0.00 N ATOM 915 CA VAL A 58 3.278 6.782 -1.414 1.00 0.00 C ATOM 916 C VAL A 58 3.109 6.783 -2.930 1.00 0.00 C ATOM 917 O VAL A 58 4.036 6.450 -3.670 1.00 0.00 O ATOM 918 CB VAL A 58 2.370 5.698 -0.796 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.491 4.385 -1.556 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.713 5.490 0.667 1.00 0.00 C ATOM 0 H VAL A 58 2.169 8.128 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 58 4.312 6.548 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 58 1.338 6.041 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.841 3.639 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.196 4.537 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.523 4.037 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.063 4.722 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.752 5.174 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.570 6.424 1.211 1.00 0.00 H new ATOM 930 N ILE A 59 1.928 7.176 -3.392 1.00 0.00 N ATOM 931 CA ILE A 59 1.687 7.271 -4.830 1.00 0.00 C ATOM 932 C ILE A 59 2.671 8.260 -5.459 1.00 0.00 C ATOM 933 O ILE A 59 3.213 8.019 -6.539 1.00 0.00 O ATOM 934 CB ILE A 59 0.223 7.684 -5.148 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.724 6.479 -5.069 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.116 8.335 -6.522 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.894 5.907 -3.678 1.00 0.00 C ATOM 0 H ILE A 59 1.133 7.431 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 59 1.844 6.282 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.075 8.413 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.702 6.775 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.350 5.695 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.921 8.612 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.741 9.227 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.451 7.632 -7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.579 5.060 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.073 5.576 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.299 6.673 -3.017 1.00 0.00 H new ATOM 949 N ARG A 60 2.930 9.346 -4.742 1.00 0.00 N ATOM 950 CA ARG A 60 3.860 10.376 -5.189 1.00 0.00 C ATOM 951 C ARG A 60 5.285 9.828 -5.248 1.00 0.00 C ATOM 952 O ARG A 60 6.113 10.309 -6.020 1.00 0.00 O ATOM 953 CB ARG A 60 3.800 11.572 -4.237 1.00 0.00 C ATOM 954 CG ARG A 60 4.314 12.861 -4.845 1.00 0.00 C ATOM 955 CD ARG A 60 3.391 13.358 -5.941 1.00 0.00 C ATOM 956 NE ARG A 60 3.894 14.576 -6.559 1.00 0.00 N ATOM 957 CZ ARG A 60 3.821 14.829 -7.863 1.00 0.00 C ATOM 958 NH1 ARG A 60 3.155 14.006 -8.664 1.00 0.00 N ATOM 959 NH2 ARG A 60 4.386 15.922 -8.362 1.00 0.00 N ATOM 0 H ARG A 60 2.502 9.538 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 60 3.572 10.695 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.769 11.718 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.383 11.344 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.404 13.621 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.313 12.701 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.279 12.584 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.400 13.543 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 60 4.328 15.276 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.699 13.179 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.100 14.201 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.877 16.569 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.329 16.114 -9.362 1.00 0.00 H new ATOM 973 N ARG A 61 5.562 8.826 -4.423 1.00 0.00 N ATOM 974 CA ARG A 61 6.849 8.138 -4.428 1.00 0.00 C ATOM 975 C ARG A 61 7.050 7.440 -5.765 1.00 0.00 C ATOM 976 O ARG A 61 8.137 7.472 -6.344 1.00 0.00 O ATOM 977 CB ARG A 61 6.894 7.122 -3.280 1.00 0.00 C ATOM 978 CG ARG A 61 8.129 6.234 -3.245 1.00 0.00 C ATOM 979 CD ARG A 61 9.373 6.992 -2.819 1.00 0.00 C ATOM 980 NE ARG A 61 10.192 7.403 -3.957 1.00 0.00 N ATOM 981 CZ ARG A 61 11.512 7.235 -4.009 1.00 0.00 C ATOM 982 NH1 ARG A 61 12.140 6.634 -3.005 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.201 7.663 -5.059 1.00 0.00 N ATOM 0 H ARG A 61 4.903 8.467 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 61 7.652 8.862 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.829 7.663 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.011 6.486 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.958 5.405 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.290 5.801 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.080 7.873 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.968 6.365 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 61 9.729 7.841 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.611 6.303 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.151 6.503 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.720 8.123 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.212 7.532 -5.094 1.00 0.00 H new ATOM 997 N PHE A 62 5.983 6.829 -6.260 1.00 0.00 N ATOM 998 CA PHE A 62 6.017 6.173 -7.558 1.00 0.00 C ATOM 999 C PHE A 62 5.972 7.194 -8.693 1.00 0.00 C ATOM 1000 O PHE A 62 6.553 6.971 -9.756 1.00 0.00 O ATOM 1001 CB PHE A 62 4.871 5.173 -7.683 1.00 0.00 C ATOM 1002 CG PHE A 62 5.010 4.008 -6.748 1.00 0.00 C ATOM 1003 CD1 PHE A 62 5.701 2.874 -7.136 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.463 4.051 -5.477 1.00 0.00 C ATOM 1005 CE1 PHE A 62 5.841 1.804 -6.277 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.602 2.984 -4.611 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.292 1.858 -5.011 1.00 0.00 C ATOM 0 H PHE A 62 5.084 6.774 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 62 6.958 5.629 -7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.928 5.682 -7.484 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.825 4.806 -8.708 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.136 2.826 -8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.921 4.929 -5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.380 0.924 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.171 3.031 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.402 1.022 -4.336 1.00 0.00 H new ATOM 1017 N GLU A 63 5.291 8.317 -8.467 1.00 0.00 N ATOM 1018 CA GLU A 63 5.282 9.409 -9.440 1.00 0.00 C ATOM 1019 C GLU A 63 6.664 10.045 -9.525 1.00 0.00 C ATOM 1020 O GLU A 63 7.056 10.572 -10.565 1.00 0.00 O ATOM 1021 CB GLU A 63 4.246 10.473 -9.076 1.00 0.00 C ATOM 1022 CG GLU A 63 2.811 9.973 -9.095 1.00 0.00 C ATOM 1023 CD GLU A 63 1.812 11.110 -9.066 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.711 11.790 -8.027 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.147 11.346 -10.097 1.00 0.00 O ATOM 0 H GLU A 63 4.742 8.494 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 63 5.013 8.990 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.472 10.860 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.338 11.307 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.649 9.371 -9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.643 9.321 -8.238 1.00 0.00 H new ATOM 1032 N ASP A 64 7.385 9.995 -8.413 1.00 0.00 N ATOM 1033 CA ASP A 64 8.781 10.416 -8.363 1.00 0.00 C ATOM 1034 C ASP A 64 9.604 9.587 -9.337 1.00 0.00 C ATOM 1035 O ASP A 64 10.414 10.115 -10.098 1.00 0.00 O ATOM 1036 CB ASP A 64 9.321 10.247 -6.939 1.00 0.00 C ATOM 1037 CG ASP A 64 10.817 10.455 -6.836 1.00 0.00 C ATOM 1038 OD1 ASP A 64 11.248 11.609 -6.638 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.569 9.459 -6.931 1.00 0.00 O ATOM 0 H ASP A 64 7.020 9.662 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 64 8.851 11.466 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.817 10.954 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.075 9.247 -6.581 1.00 0.00 H new ATOM 1044 N ARG A 65 9.363 8.283 -9.315 1.00 0.00 N ATOM 1045 CA ARG A 65 10.020 7.357 -10.225 1.00 0.00 C ATOM 1046 C ARG A 65 9.518 7.563 -11.651 1.00 0.00 C ATOM 1047 O ARG A 65 10.247 7.345 -12.619 1.00 0.00 O ATOM 1048 CB ARG A 65 9.764 5.917 -9.778 1.00 0.00 C ATOM 1049 CG ARG A 65 10.298 5.615 -8.386 1.00 0.00 C ATOM 1050 CD ARG A 65 9.932 4.210 -7.935 1.00 0.00 C ATOM 1051 NE ARG A 65 10.484 3.179 -8.813 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.641 1.904 -8.456 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.342 1.512 -7.222 1.00 0.00 N ATOM 1054 NH2 ARG A 65 11.123 1.028 -9.333 1.00 0.00 N ATOM 0 H ARG A 65 8.710 7.840 -8.669 1.00 0.00 H new ATOM 0 HA ARG A 65 11.093 7.550 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.692 5.723 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.225 5.235 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.382 5.728 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.898 6.340 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.296 4.051 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.847 4.113 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 65 10.766 3.452 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.991 2.188 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.464 0.536 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.371 1.333 -10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.245 0.052 -9.064 1.00 0.00 H new ATOM 1068 N GLY A 66 8.269 7.993 -11.767 1.00 0.00 N ATOM 1069 CA GLY A 66 7.681 8.244 -13.067 1.00 0.00 C ATOM 1070 C GLY A 66 6.789 7.110 -13.511 1.00 0.00 C ATOM 1071 O GLY A 66 6.187 7.163 -14.582 1.00 0.00 O ATOM 0 H GLY A 66 7.649 8.173 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.103 9.168 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.473 8.391 -13.801 1.00 0.00 H new ATOM 1075 N ALA A 67 6.692 6.089 -12.672 1.00 0.00 N ATOM 1076 CA ALA A 67 5.907 4.909 -12.990 1.00 0.00 C ATOM 1077 C ALA A 67 4.434 5.136 -12.675 1.00 0.00 C ATOM 1078 O ALA A 67 3.995 4.945 -11.540 1.00 0.00 O ATOM 1079 CB ALA A 67 6.435 3.701 -12.232 1.00 0.00 C ATOM 0 H ALA A 67 7.151 6.056 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 67 5.999 4.716 -14.059 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.836 2.825 -12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.473 3.522 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.374 3.889 -11.160 1.00 0.00 H new ATOM 1085 N MET A 68 3.682 5.552 -13.682 1.00 0.00 N ATOM 1086 CA MET A 68 2.256 5.816 -13.524 1.00 0.00 C ATOM 1087 C MET A 68 1.514 4.524 -13.219 1.00 0.00 C ATOM 1088 O MET A 68 0.588 4.501 -12.408 1.00 0.00 O ATOM 1089 CB MET A 68 1.686 6.458 -14.791 1.00 0.00 C ATOM 1090 CG MET A 68 2.268 7.828 -15.126 1.00 0.00 C ATOM 1091 SD MET A 68 1.644 9.163 -14.073 1.00 0.00 S ATOM 1092 CE MET A 68 2.453 8.812 -12.513 1.00 0.00 C ATOM 0 H MET A 68 4.036 5.716 -14.624 1.00 0.00 H new ATOM 0 HA MET A 68 2.123 6.507 -12.692 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.861 5.788 -15.633 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.606 6.554 -14.680 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.353 7.784 -15.036 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.044 8.063 -16.166 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.791 9.744 -12.061 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.751 8.317 -11.842 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.310 8.161 -12.686 1.00 0.00 H new ATOM 1102 N GLU A 69 1.951 3.449 -13.864 1.00 0.00 N ATOM 1103 CA GLU A 69 1.351 2.138 -13.669 1.00 0.00 C ATOM 1104 C GLU A 69 1.501 1.691 -12.222 1.00 0.00 C ATOM 1105 O GLU A 69 0.543 1.242 -11.595 1.00 0.00 O ATOM 1106 CB GLU A 69 2.017 1.110 -14.583 1.00 0.00 C ATOM 1107 CG GLU A 69 1.961 1.469 -16.057 1.00 0.00 C ATOM 1108 CD GLU A 69 2.716 0.473 -16.909 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.937 0.644 -17.089 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.095 -0.497 -17.386 1.00 0.00 O ATOM 0 H GLU A 69 2.723 3.462 -14.530 1.00 0.00 H new ATOM 0 HA GLU A 69 0.291 2.211 -13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.060 0.996 -14.286 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.536 0.143 -14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.921 1.510 -16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.380 2.464 -16.204 1.00 0.00 H new ATOM 1117 N ARG A 70 2.708 1.840 -11.694 1.00 0.00 N ATOM 1118 CA ARG A 70 3.011 1.386 -10.347 1.00 0.00 C ATOM 1119 C ARG A 70 2.403 2.311 -9.302 1.00 0.00 C ATOM 1120 O ARG A 70 2.106 1.880 -8.195 1.00 0.00 O ATOM 1121 CB ARG A 70 4.523 1.269 -10.141 1.00 0.00 C ATOM 1122 CG ARG A 70 5.178 0.243 -11.051 1.00 0.00 C ATOM 1123 CD ARG A 70 6.645 0.044 -10.708 1.00 0.00 C ATOM 1124 NE ARG A 70 7.280 -0.942 -11.583 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.902 -2.037 -11.147 1.00 0.00 C ATOM 1126 NH1 ARG A 70 7.960 -2.295 -9.847 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.448 -2.882 -12.010 1.00 0.00 N ATOM 0 H ARG A 70 3.493 2.273 -12.180 1.00 0.00 H new ATOM 0 HA ARG A 70 2.566 0.399 -10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.982 2.242 -10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.721 1.002 -9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.652 -0.708 -10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.087 0.566 -12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.170 0.996 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.735 -0.279 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 70 7.244 -0.781 -12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.528 -1.655 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.436 -3.133 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.393 -2.695 -13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.923 -3.719 -11.673 1.00 0.00 H new ATOM 1141 N ALA A 71 2.212 3.575 -9.658 1.00 0.00 N ATOM 1142 CA ALA A 71 1.566 4.526 -8.762 1.00 0.00 C ATOM 1143 C ALA A 71 0.109 4.136 -8.542 1.00 0.00 C ATOM 1144 O ALA A 71 -0.362 4.024 -7.407 1.00 0.00 O ATOM 1145 CB ALA A 71 1.661 5.939 -9.323 1.00 0.00 C ATOM 0 H ALA A 71 2.494 3.965 -10.558 1.00 0.00 H new ATOM 0 HA ALA A 71 2.082 4.504 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.173 6.635 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.709 6.216 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.169 5.979 -10.295 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.589 3.905 -9.646 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.986 3.488 -9.613 1.00 0.00 C ATOM 1153 C ASN A 72 -2.103 2.127 -8.928 1.00 0.00 C ATOM 1154 O ASN A 72 -3.001 1.892 -8.113 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.531 3.415 -11.049 1.00 0.00 C ATOM 1156 CG ASN A 72 -4.046 3.300 -11.130 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.699 2.756 -10.242 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -4.612 3.810 -12.214 1.00 0.00 N ATOM 0 H ASN A 72 -0.205 4.001 -10.586 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.572 4.213 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.215 4.305 -11.593 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.084 2.558 -11.553 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.624 3.759 -12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.036 4.254 -12.929 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.167 1.242 -9.245 1.00 0.00 N ATOM 1166 CA LYS A 73 -1.150 -0.099 -8.680 1.00 0.00 C ATOM 1167 C LYS A 73 -0.852 -0.060 -7.181 1.00 0.00 C ATOM 1168 O LYS A 73 -1.403 -0.855 -6.418 1.00 0.00 O ATOM 1169 CB LYS A 73 -0.122 -0.962 -9.412 1.00 0.00 C ATOM 1170 CG LYS A 73 -0.063 -2.399 -8.925 1.00 0.00 C ATOM 1171 CD LYS A 73 0.740 -3.265 -9.877 1.00 0.00 C ATOM 1172 CE LYS A 73 0.833 -4.698 -9.386 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.350 -5.607 -10.438 1.00 0.00 N ATOM 0 H LYS A 73 -0.405 1.432 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.138 -0.541 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.353 -0.959 -10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.863 -0.510 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.386 -2.432 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.074 -2.796 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.277 -3.247 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.743 -2.852 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.486 -4.742 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.152 -5.037 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.165 -6.594 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.874 -5.401 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.374 -5.465 -10.547 1.00 0.00 H new ATOM 1187 N ALA A 74 0.007 0.869 -6.764 1.00 0.00 N ATOM 1188 CA ALA A 74 0.326 1.031 -5.350 1.00 0.00 C ATOM 1189 C ALA A 74 -0.936 1.310 -4.554 1.00 0.00 C ATOM 1190 O ALA A 74 -1.161 0.704 -3.508 1.00 0.00 O ATOM 1191 CB ALA A 74 1.339 2.150 -5.138 1.00 0.00 C ATOM 0 H ALA A 74 0.492 1.518 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 74 0.771 0.100 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.557 2.247 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.257 1.916 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.928 3.088 -5.511 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.768 2.208 -5.072 1.00 0.00 N ATOM 1198 CA ARG A 75 -3.037 2.531 -4.431 1.00 0.00 C ATOM 1199 C ARG A 75 -3.902 1.281 -4.286 1.00 0.00 C ATOM 1200 O ARG A 75 -4.439 1.006 -3.214 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.796 3.587 -5.234 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.115 3.984 -4.592 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.976 4.809 -5.530 1.00 0.00 C ATOM 1204 NE ARG A 75 -7.258 5.152 -4.919 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.427 4.633 -5.296 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -8.479 3.754 -6.294 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.543 4.992 -4.670 1.00 0.00 N ATOM 0 H ARG A 75 -1.586 2.724 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.818 2.929 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.170 4.473 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.986 3.206 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.659 3.087 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.919 4.554 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.446 5.722 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.148 4.252 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.259 5.830 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.623 3.475 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.375 3.359 -6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.504 5.663 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.438 4.596 -4.957 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.021 0.524 -5.371 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.847 -0.679 -5.382 1.00 0.00 C ATOM 1223 C ARG A 76 -4.298 -1.750 -4.444 1.00 0.00 C ATOM 1224 O ARG A 76 -5.062 -2.493 -3.832 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.964 -1.240 -6.799 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.951 -0.483 -7.671 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.025 -1.074 -9.068 1.00 0.00 C ATOM 1228 NE ARG A 76 -7.161 -0.545 -9.821 1.00 0.00 N ATOM 1229 CZ ARG A 76 -7.073 -0.003 -11.032 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.893 0.107 -11.633 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -8.167 0.430 -11.645 1.00 0.00 N ATOM 0 H ARG A 76 -3.555 0.722 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.837 -0.394 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.982 -1.218 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.268 -2.285 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.939 -0.509 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.655 0.564 -7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.101 -0.857 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.107 -2.159 -9.000 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.083 -0.595 -9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.050 -0.225 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.831 0.523 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.075 0.347 -11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.100 0.846 -12.574 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.982 -1.834 -4.328 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.373 -2.842 -3.473 1.00 0.00 C ATOM 1247 C ARG A 77 -2.395 -2.411 -2.015 1.00 0.00 C ATOM 1248 O ARG A 77 -2.504 -3.248 -1.125 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.958 -3.182 -3.943 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.956 -3.862 -5.303 1.00 0.00 C ATOM 1251 CD ARG A 77 -1.913 -5.047 -5.317 1.00 0.00 C ATOM 1252 NE ARG A 77 -2.464 -5.299 -6.647 1.00 0.00 N ATOM 1253 CZ ARG A 77 -3.760 -5.186 -6.951 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -4.643 -4.853 -6.013 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -4.176 -5.405 -8.191 1.00 0.00 N ATOM 0 H ARG A 77 -2.321 -1.224 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.968 -3.752 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.364 -2.269 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.480 -3.834 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.245 -3.146 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.052 -4.200 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.390 -5.938 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.728 -4.861 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.820 -5.578 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.331 -4.683 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.631 -4.768 -6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.506 -5.661 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.166 -5.318 -8.420 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.315 -1.109 -1.768 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.531 -0.593 -0.424 1.00 0.00 C ATOM 1271 C CYS A 78 -3.979 -0.838 -0.024 1.00 0.00 C ATOM 1272 O CYS A 78 -4.266 -1.237 1.102 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.201 0.900 -0.344 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.474 1.294 -0.713 1.00 0.00 S ATOM 0 H CYS A 78 -2.105 -0.400 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.866 -1.114 0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.843 1.441 -1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.439 1.261 0.656 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.261 1.159 -1.988 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.886 -0.615 -0.975 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.288 -0.915 -0.765 1.00 0.00 C ATOM 1282 C GLY A 79 -6.514 -2.383 -0.470 1.00 0.00 C ATOM 1283 O GLY A 79 -7.359 -2.730 0.348 1.00 0.00 O ATOM 0 H GLY A 79 -4.668 -0.228 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.667 -0.316 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.857 -0.631 -1.651 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.753 -3.241 -1.142 1.00 0.00 N ATOM 1288 CA GLU A 80 -5.782 -4.679 -0.894 1.00 0.00 C ATOM 1289 C GLU A 80 -5.352 -4.982 0.546 1.00 0.00 C ATOM 1290 O GLU A 80 -5.920 -5.855 1.205 1.00 0.00 O ATOM 1291 CB GLU A 80 -4.866 -5.387 -1.902 1.00 0.00 C ATOM 1292 CG GLU A 80 -4.618 -6.860 -1.612 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.808 -7.757 -1.894 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.782 -7.729 -1.115 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.742 -8.541 -2.862 1.00 0.00 O ATOM 0 H GLU A 80 -5.099 -2.960 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.799 -5.049 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.303 -5.295 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.907 -4.869 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.772 -7.199 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.334 -6.970 -0.565 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.355 -4.247 1.035 1.00 0.00 N ATOM 1303 CA VAL A 81 -3.903 -4.403 2.413 1.00 0.00 C ATOM 1304 C VAL A 81 -4.978 -3.912 3.383 1.00 0.00 C ATOM 1305 O VAL A 81 -5.280 -4.582 4.373 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.578 -3.651 2.678 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.094 -3.899 4.099 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.511 -4.068 1.679 1.00 0.00 C ATOM 0 H VAL A 81 -3.848 -3.542 0.500 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.722 -5.466 2.574 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.767 -2.584 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.161 -3.361 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.846 -3.548 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.929 -4.966 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.588 -3.526 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.330 -5.139 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.849 -3.838 0.669 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.558 -2.748 3.091 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.675 -2.227 3.882 1.00 0.00 C ATOM 1320 C PHE A 82 -7.828 -3.228 3.878 1.00 0.00 C ATOM 1321 O PHE A 82 -8.418 -3.519 4.914 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.171 -0.880 3.334 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.197 0.258 3.480 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.657 0.575 4.713 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.841 1.024 2.381 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.773 1.628 4.848 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.956 2.077 2.509 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.423 2.380 3.744 1.00 0.00 C ATOM 0 H PHE A 82 -5.275 -2.149 2.315 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.318 -2.075 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.412 -1.000 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.097 -0.615 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.930 -0.008 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.261 0.795 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.356 1.863 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.682 2.662 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.733 3.204 3.848 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.127 -3.745 2.692 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.154 -4.762 2.499 1.00 0.00 C ATOM 1340 C ARG A 83 -8.897 -5.964 3.404 1.00 0.00 C ATOM 1341 O ARG A 83 -9.780 -6.404 4.140 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.151 -5.185 1.028 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.101 -6.315 0.680 1.00 0.00 C ATOM 1344 CD ARG A 83 -9.917 -6.731 -0.770 1.00 0.00 C ATOM 1345 NE ARG A 83 -10.741 -7.882 -1.130 1.00 0.00 N ATOM 1346 CZ ARG A 83 -10.245 -9.067 -1.479 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -8.931 -9.260 -1.517 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -11.061 -10.057 -1.806 1.00 0.00 N ATOM 0 H ARG A 83 -7.659 -3.467 1.829 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.130 -4.353 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.403 -4.318 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.139 -5.485 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.920 -7.167 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.131 -5.998 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.166 -5.892 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.868 -6.970 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.755 -7.771 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.296 -8.498 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.557 -10.170 -1.785 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.071 -9.912 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.680 -10.965 -2.073 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.672 -6.473 3.348 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.253 -7.595 4.181 1.00 0.00 C ATOM 1364 C TYR A 84 -7.410 -7.253 5.660 1.00 0.00 C ATOM 1365 O TYR A 84 -7.892 -8.065 6.450 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.792 -7.942 3.866 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.242 -9.137 4.616 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -4.625 -8.987 5.853 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.313 -10.413 4.071 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.097 -10.070 6.521 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.792 -11.505 4.739 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.182 -11.326 5.964 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.655 -12.405 6.634 1.00 0.00 O ATOM 0 H TYR A 84 -6.943 -6.122 2.727 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.884 -8.457 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.702 -8.130 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.172 -7.074 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.559 -8.005 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.783 -10.554 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.618 -9.934 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.862 -12.492 4.305 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.760 -12.274 7.599 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.012 -6.042 6.023 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.084 -5.587 7.404 1.00 0.00 C ATOM 1385 C ALA A 85 -8.527 -5.483 7.885 1.00 0.00 C ATOM 1386 O ALA A 85 -8.828 -5.838 9.021 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.375 -4.255 7.557 1.00 0.00 C ATOM 0 H ALA A 85 -6.633 -5.352 5.374 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.582 -6.328 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.437 -3.927 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.328 -4.365 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.849 -3.514 6.913 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.416 -4.997 7.028 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.831 -4.910 7.375 1.00 0.00 C ATOM 1395 C ILE A 86 -11.399 -6.302 7.635 1.00 0.00 C ATOM 1396 O ILE A 86 -12.061 -6.533 8.646 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.658 -4.213 6.268 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.177 -2.773 6.076 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.142 -4.235 6.613 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.923 -2.013 5.000 1.00 0.00 C ATOM 0 H ILE A 86 -9.186 -4.659 6.094 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.904 -4.307 8.280 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.515 -4.758 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.278 -2.238 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.116 -2.785 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.707 -3.740 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.478 -5.268 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.304 -3.713 7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.523 -1.002 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.802 -2.523 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.982 -1.967 5.255 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.104 -7.228 6.731 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.571 -8.607 6.855 1.00 0.00 C ATOM 1414 C VAL A 87 -11.007 -9.265 8.115 1.00 0.00 C ATOM 1415 O VAL A 87 -11.665 -10.092 8.747 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.176 -9.438 5.613 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.636 -10.880 5.746 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.754 -8.815 4.356 1.00 0.00 C ATOM 0 H VAL A 87 -10.541 -7.050 5.899 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.658 -8.579 6.929 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.088 -9.437 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.343 -11.439 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.175 -11.329 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.721 -10.908 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.467 -9.411 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.841 -8.784 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.369 -7.801 4.242 1.00 0.00 H new ATOM 1428 N THR A 88 -9.796 -8.876 8.488 1.00 0.00 N ATOM 1429 CA THR A 88 -9.139 -9.438 9.659 1.00 0.00 C ATOM 1430 C THR A 88 -9.434 -8.609 10.914 1.00 0.00 C ATOM 1431 O THR A 88 -8.831 -8.821 11.968 1.00 0.00 O ATOM 1432 CB THR A 88 -7.615 -9.563 9.435 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.066 -8.320 8.980 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.311 -10.650 8.417 1.00 0.00 C ATOM 0 H THR A 88 -9.247 -8.171 7.995 1.00 0.00 H new ATOM 0 HA THR A 88 -9.544 -10.438 9.813 1.00 0.00 H new ATOM 0 HB THR A 88 -7.159 -9.827 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.035 -8.315 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.233 -10.723 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.694 -11.604 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.788 -10.404 7.468 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.367 -7.664 10.786 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.833 -6.896 11.932 1.00 0.00 C ATOM 1444 C GLY A 89 -9.789 -5.954 12.506 1.00 0.00 C ATOM 1445 O GLY A 89 -9.821 -5.639 13.697 1.00 0.00 O ATOM 0 H GLY A 89 -10.811 -7.416 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.708 -6.317 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.155 -7.585 12.713 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.868 -5.502 11.671 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.821 -4.587 12.114 1.00 0.00 C ATOM 1451 C ARG A 90 -7.997 -3.200 11.505 1.00 0.00 C ATOM 1452 O ARG A 90 -7.364 -2.240 11.938 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.443 -5.147 11.770 1.00 0.00 C ATOM 1454 CG ARG A 90 -5.944 -6.181 12.764 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.665 -6.848 12.285 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.904 -7.696 11.119 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.083 -8.664 10.719 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -2.900 -8.834 11.298 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -4.437 -9.434 9.707 1.00 0.00 N ATOM 0 H ARG A 90 -8.821 -5.752 10.683 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.902 -4.489 13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.480 -5.597 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.728 -4.326 11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.767 -5.704 13.728 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.713 -6.938 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.928 -6.085 12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.243 -7.448 13.091 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.754 -7.536 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.611 -8.219 12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.280 -9.580 10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.332 -9.284 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.816 -10.179 9.392 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.852 -3.094 10.501 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.125 -1.806 9.882 1.00 0.00 C ATOM 1475 C ALA A 91 -10.607 -1.478 9.955 1.00 0.00 C ATOM 1476 O ALA A 91 -11.432 -2.135 9.322 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.645 -1.784 8.440 1.00 0.00 C ATOM 0 H ALA A 91 -9.366 -3.878 10.099 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.576 -1.044 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.861 -0.811 8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.571 -1.965 8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.159 -2.560 7.874 1.00 0.00 H new ATOM 1483 N LYS A 92 -10.937 -0.477 10.754 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.314 -0.023 10.894 1.00 0.00 C ATOM 1485 C LYS A 92 -12.612 1.075 9.871 1.00 0.00 C ATOM 1486 O LYS A 92 -13.761 1.302 9.496 1.00 0.00 O ATOM 1487 CB LYS A 92 -12.535 0.483 12.324 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.962 0.906 12.638 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.117 1.225 14.116 1.00 0.00 C ATOM 1490 CE LYS A 92 -15.521 1.696 14.456 1.00 0.00 C ATOM 1491 NZ LYS A 92 -15.831 3.015 13.844 1.00 0.00 N ATOM 0 H LYS A 92 -10.265 0.041 11.320 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.997 -0.852 10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.242 -0.302 13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.873 1.330 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.226 1.780 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.652 0.110 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.880 0.338 14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.399 1.995 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.244 0.957 14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.628 1.765 15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.733 3.369 14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.072 3.689 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.905 2.910 12.812 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.558 1.742 9.418 1.00 0.00 N ATOM 1506 CA TYR A 93 -11.673 2.801 8.426 1.00 0.00 C ATOM 1507 C TYR A 93 -10.433 2.816 7.542 1.00 0.00 C ATOM 1508 O TYR A 93 -9.334 2.517 8.012 1.00 0.00 O ATOM 1509 CB TYR A 93 -11.856 4.160 9.117 1.00 0.00 C ATOM 1510 CG TYR A 93 -11.848 5.345 8.173 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -12.900 5.567 7.290 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -10.787 6.245 8.168 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -12.891 6.650 6.430 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -10.774 7.329 7.310 1.00 0.00 C ATOM 1515 CZ TYR A 93 -11.826 7.525 6.443 1.00 0.00 C ATOM 1516 OH TYR A 93 -11.815 8.606 5.590 1.00 0.00 O ATOM 0 H TYR A 93 -10.602 1.564 9.727 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.548 2.612 7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.799 4.152 9.664 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.062 4.291 9.852 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.736 4.883 7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.960 6.094 8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.715 6.810 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.943 8.019 7.320 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.994 9.123 5.727 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.604 3.142 6.265 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.475 3.261 5.359 1.00 0.00 C ATOM 1528 C ASN A 94 -9.548 4.575 4.585 1.00 0.00 C ATOM 1529 O ASN A 94 -10.632 5.080 4.295 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.390 2.054 4.402 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.625 1.843 3.531 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.307 2.781 3.134 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.909 0.589 3.218 1.00 0.00 N ATOM 0 H ASN A 94 -11.512 3.327 5.838 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.563 3.265 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.523 2.182 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.219 1.153 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.716 0.380 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.321 -0.169 3.565 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.390 5.170 4.271 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.308 6.402 3.497 1.00 0.00 C ATOM 1542 C PRO A 95 -8.308 6.133 1.991 1.00 0.00 C ATOM 1543 O PRO A 95 -7.818 6.943 1.208 1.00 0.00 O ATOM 1544 CB PRO A 95 -6.962 7.011 3.933 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.313 6.008 4.841 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.059 4.714 4.670 1.00 0.00 C ATOM 0 HA PRO A 95 -9.162 7.056 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.331 7.216 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.114 7.959 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.260 5.883 4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.354 6.343 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.602 4.079 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.087 4.136 5.594 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.883 5.003 1.595 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.867 4.568 0.200 1.00 0.00 C ATOM 1556 C ALA A 96 -9.574 5.563 -0.738 1.00 0.00 C ATOM 1557 O ALA A 96 -8.980 6.005 -1.725 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.468 3.173 0.076 1.00 0.00 C ATOM 0 H ALA A 96 -9.370 4.366 2.225 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.825 4.533 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.450 2.861 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.886 2.472 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.498 3.187 0.433 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.847 5.937 -0.469 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.557 6.907 -1.311 1.00 0.00 C ATOM 1566 C PRO A 97 -11.022 8.324 -1.124 1.00 0.00 C ATOM 1567 O PRO A 97 -11.045 9.142 -2.045 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.007 6.810 -0.829 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.910 6.336 0.581 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.697 5.448 0.642 1.00 0.00 C ATOM 0 HA PRO A 97 -11.439 6.692 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.509 7.776 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.581 6.115 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.812 7.176 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.808 5.790 0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.188 5.531 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.962 4.399 0.512 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.511 8.594 0.068 1.00 0.00 N ATOM 1579 CA ASP A 98 -10.009 9.918 0.412 1.00 0.00 C ATOM 1580 C ASP A 98 -8.687 10.189 -0.302 1.00 0.00 C ATOM 1581 O ASP A 98 -8.383 11.326 -0.661 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.839 10.030 1.927 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.476 11.429 2.381 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.123 12.398 1.928 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -8.559 11.562 3.212 1.00 0.00 O ATOM 0 H ASP A 98 -10.432 7.909 0.819 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.730 10.667 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.765 9.725 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.064 9.336 2.252 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.915 9.129 -0.518 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.673 9.218 -1.282 1.00 0.00 C ATOM 1592 C LEU A 99 -6.974 9.676 -2.706 1.00 0.00 C ATOM 1593 O LEU A 99 -6.244 10.487 -3.280 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.964 7.850 -1.284 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.560 7.799 -1.909 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.623 7.694 -3.425 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.753 9.018 -1.500 1.00 0.00 C ATOM 0 H LEU A 99 -8.128 8.193 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.011 9.949 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.890 7.504 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.598 7.139 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.066 6.903 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.611 7.660 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.156 6.785 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.147 8.561 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.762 8.966 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.260 9.921 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.657 9.043 -0.415 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.063 9.155 -3.259 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.481 9.507 -4.607 1.00 0.00 C ATOM 1611 C ALA A 100 -8.847 10.984 -4.686 1.00 0.00 C ATOM 1612 O ALA A 100 -8.515 11.671 -5.652 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.658 8.644 -5.028 1.00 0.00 C ATOM 0 H ALA A 100 -8.673 8.485 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.651 9.325 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.964 8.914 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.366 7.594 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.490 8.803 -4.342 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.517 11.463 -3.647 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.920 12.861 -3.568 1.00 0.00 C ATOM 1621 C ASP A 101 -8.696 13.758 -3.422 1.00 0.00 C ATOM 1622 O ASP A 101 -8.641 14.854 -3.984 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.871 13.068 -2.388 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.506 14.443 -2.382 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.552 14.616 -3.043 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.983 15.345 -1.695 1.00 0.00 O ATOM 0 H ASP A 101 -9.794 10.901 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.438 13.128 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.654 12.311 -2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.325 12.921 -1.456 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.711 13.277 -2.674 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.462 14.002 -2.485 1.00 0.00 C ATOM 1633 C ALA A 102 -5.719 14.154 -3.809 1.00 0.00 C ATOM 1634 O ALA A 102 -5.390 15.267 -4.212 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.590 13.295 -1.457 1.00 0.00 C ATOM 0 H ALA A 102 -7.754 12.382 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.696 14.999 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.660 13.848 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.119 13.244 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.366 12.286 -1.802 1.00 0.00 H new ATOM 1641 N MET A 103 -5.454 13.028 -4.475 1.00 0.00 N ATOM 1642 CA MET A 103 -4.834 13.029 -5.802 1.00 0.00 C ATOM 1643 C MET A 103 -5.559 13.979 -6.756 1.00 0.00 C ATOM 1644 O MET A 103 -4.927 14.727 -7.504 1.00 0.00 O ATOM 1645 CB MET A 103 -4.841 11.612 -6.386 1.00 0.00 C ATOM 1646 CG MET A 103 -4.061 11.482 -7.686 1.00 0.00 C ATOM 1647 SD MET A 103 -4.269 9.869 -8.471 1.00 0.00 S ATOM 1648 CE MET A 103 -3.692 8.779 -7.173 1.00 0.00 C ATOM 0 H MET A 103 -5.661 12.097 -4.114 1.00 0.00 H new ATOM 0 HA MET A 103 -3.807 13.375 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.423 10.924 -5.651 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.872 11.305 -6.559 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.383 12.261 -8.377 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.003 11.650 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.073 7.993 -7.606 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.104 9.349 -6.454 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.547 8.330 -6.668 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.885 13.946 -6.710 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.723 14.796 -7.554 1.00 0.00 C ATOM 1660 C LYS A 104 -7.402 16.276 -7.350 1.00 0.00 C ATOM 1661 O LYS A 104 -7.206 17.025 -8.310 1.00 0.00 O ATOM 1662 CB LYS A 104 -9.200 14.542 -7.242 1.00 0.00 C ATOM 1663 CG LYS A 104 -10.155 15.477 -7.967 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.569 15.341 -7.429 1.00 0.00 C ATOM 1665 CE LYS A 104 -12.512 16.355 -8.060 1.00 0.00 C ATOM 1666 NZ LYS A 104 -13.851 16.336 -7.415 1.00 0.00 N ATOM 0 H LYS A 104 -7.411 13.331 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.517 14.544 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.445 13.513 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.356 14.641 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.817 16.507 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.146 15.255 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.936 14.333 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.561 15.475 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.082 17.353 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.617 16.141 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.466 17.040 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.272 15.390 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.753 16.565 -6.405 1.00 0.00 H new ATOM 1680 N GLY A 105 -7.339 16.687 -6.096 1.00 0.00 N ATOM 1681 CA GLY A 105 -7.127 18.086 -5.779 1.00 0.00 C ATOM 1682 C GLY A 105 -5.661 18.448 -5.655 1.00 0.00 C ATOM 1683 O GLY A 105 -5.325 19.578 -5.309 1.00 0.00 O ATOM 0 H GLY A 105 -7.431 16.075 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.584 18.702 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.635 18.322 -4.844 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.784 17.496 -5.948 1.00 0.00 N ATOM 1688 CA TYR A 106 -3.351 17.712 -5.805 1.00 0.00 C ATOM 1689 C TYR A 106 -2.844 18.736 -6.812 1.00 0.00 C ATOM 1690 O TYR A 106 -2.030 19.596 -6.475 1.00 0.00 O ATOM 1691 CB TYR A 106 -2.586 16.398 -5.974 1.00 0.00 C ATOM 1692 CG TYR A 106 -1.099 16.536 -5.732 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.592 16.540 -4.442 1.00 0.00 C ATOM 1694 CD2 TYR A 106 -0.207 16.664 -6.789 1.00 0.00 C ATOM 1695 CE1 TYR A 106 0.761 16.669 -4.207 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.150 16.793 -6.563 1.00 0.00 C ATOM 1697 CZ TYR A 106 1.629 16.794 -5.268 1.00 0.00 C ATOM 1698 OH TYR A 106 2.978 16.931 -5.034 1.00 0.00 O ATOM 0 H TYR A 106 -5.040 16.568 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.177 18.099 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.992 15.658 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.749 16.018 -6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.268 16.440 -3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.580 16.663 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.138 16.672 -3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.832 16.892 -7.394 1.00 0.00 H new ATOM 0 HH TYR A 106 3.215 16.467 -4.204 1.00 0.00 H new ATOM 1708 N ARG A 107 -3.337 18.645 -8.042 1.00 0.00 N ATOM 1709 CA ARG A 107 -2.872 19.513 -9.119 1.00 0.00 C ATOM 1710 C ARG A 107 -3.209 20.975 -8.841 1.00 0.00 C ATOM 1711 O ARG A 107 -2.435 21.866 -9.188 1.00 0.00 O ATOM 1712 CB ARG A 107 -3.461 19.061 -10.457 1.00 0.00 C ATOM 1713 CG ARG A 107 -2.885 17.740 -10.943 1.00 0.00 C ATOM 1714 CD ARG A 107 -3.574 17.247 -12.205 1.00 0.00 C ATOM 1715 NE ARG A 107 -4.979 16.923 -11.968 1.00 0.00 N ATOM 1716 CZ ARG A 107 -5.483 15.691 -12.034 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -4.687 14.653 -12.265 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -6.782 15.499 -11.844 1.00 0.00 N ATOM 0 H ARG A 107 -4.058 17.979 -8.319 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.786 19.433 -9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.542 18.965 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.276 19.830 -11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.819 17.859 -11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.986 16.990 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.503 18.011 -12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.056 16.364 -12.580 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.614 17.688 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.685 14.797 -12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.077 13.712 -12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.392 16.293 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.171 14.557 -11.894 1.00 0.00 H new ATOM 1732 N LYS A 108 -4.360 21.208 -8.210 1.00 0.00 N ATOM 1733 CA LYS A 108 -4.758 22.551 -7.782 1.00 0.00 C ATOM 1734 C LYS A 108 -4.826 23.508 -8.964 1.00 0.00 C ATOM 1735 O LYS A 108 -4.294 24.620 -8.911 1.00 0.00 O ATOM 1736 CB LYS A 108 -3.788 23.085 -6.722 1.00 0.00 C ATOM 1737 CG LYS A 108 -3.727 22.216 -5.481 1.00 0.00 C ATOM 1738 CD LYS A 108 -2.677 22.695 -4.497 1.00 0.00 C ATOM 1739 CE LYS A 108 -2.575 21.744 -3.317 1.00 0.00 C ATOM 1740 NZ LYS A 108 -2.141 20.387 -3.741 1.00 0.00 N ATOM 0 H LYS A 108 -5.037 20.480 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.754 22.481 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.791 23.160 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.089 24.093 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.703 22.211 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.509 21.188 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.711 22.769 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.931 23.695 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.868 22.142 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.542 21.678 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.872 19.693 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.996 20.375 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.250 20.142 -3.264 1.00 0.00 H new ATOM 1754 N LYS A 109 -5.478 23.068 -10.032 1.00 0.00 N ATOM 1755 CA LYS A 109 -5.665 23.907 -11.202 1.00 0.00 C ATOM 1756 C LYS A 109 -6.725 24.962 -10.902 1.00 0.00 C ATOM 1757 O LYS A 109 -7.919 24.743 -11.107 1.00 0.00 O ATOM 1758 CB LYS A 109 -6.065 23.052 -12.408 1.00 0.00 C ATOM 1759 CG LYS A 109 -5.992 23.789 -13.736 1.00 0.00 C ATOM 1760 CD LYS A 109 -6.234 22.846 -14.903 1.00 0.00 C ATOM 1761 CE LYS A 109 -5.993 23.531 -16.238 1.00 0.00 C ATOM 1762 NZ LYS A 109 -4.615 24.081 -16.341 1.00 0.00 N ATOM 0 H LYS A 109 -5.885 22.136 -10.110 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.729 24.410 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.416 22.178 -12.453 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.082 22.687 -12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.732 24.589 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.014 24.258 -13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.577 21.981 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.258 22.474 -14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.161 22.819 -17.046 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.716 24.337 -16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.374 24.229 -17.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.564 24.988 -15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.941 23.411 -15.919 1.00 0.00 H new ATOM 1776 N ASN A 110 -6.271 26.092 -10.382 1.00 0.00 N ATOM 1777 CA ASN A 110 -7.167 27.129 -9.890 1.00 0.00 C ATOM 1778 C ASN A 110 -7.654 28.032 -11.012 1.00 0.00 C ATOM 1779 O ASN A 110 -6.875 28.477 -11.859 1.00 0.00 O ATOM 1780 CB ASN A 110 -6.468 27.976 -8.819 1.00 0.00 C ATOM 1781 CG ASN A 110 -6.135 27.190 -7.564 1.00 0.00 C ATOM 1782 OD1 ASN A 110 -6.842 26.254 -7.192 1.00 0.00 O ATOM 1783 ND2 ASN A 110 -5.056 27.572 -6.896 1.00 0.00 N ATOM 0 H ASN A 110 -5.280 26.316 -10.289 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.032 26.629 -9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.550 28.392 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.108 28.818 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.786 27.085 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.495 28.353 -7.237 1.00 0.00 H new ATOM 1790 N LEU A 111 -8.951 28.289 -11.011 1.00 0.00 N ATOM 1791 CA LEU A 111 -9.546 29.254 -11.921 1.00 0.00 C ATOM 1792 C LEU A 111 -9.532 30.627 -11.261 1.00 0.00 C ATOM 1793 O LEU A 111 -8.763 30.861 -10.328 1.00 0.00 O ATOM 1794 CB LEU A 111 -10.982 28.842 -12.264 1.00 0.00 C ATOM 1795 CG LEU A 111 -11.134 27.453 -12.891 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -12.600 27.145 -13.151 1.00 0.00 C ATOM 1797 CD2 LEU A 111 -10.331 27.355 -14.181 1.00 0.00 C ATOM 0 H LEU A 111 -9.618 27.838 -10.384 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.972 29.289 -12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.580 28.879 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.400 29.579 -12.949 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.745 26.715 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.690 26.154 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.150 27.171 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.013 27.889 -13.833 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.452 26.361 -14.611 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.688 28.102 -14.890 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.277 27.532 -13.968 1.00 0.00 H new ATOM 1809 N GLU A 112 -10.362 31.537 -11.739 1.00 0.00 N ATOM 1810 CA GLU A 112 -10.480 32.841 -11.108 1.00 0.00 C ATOM 1811 C GLU A 112 -11.488 32.780 -9.968 1.00 0.00 C ATOM 1812 O GLU A 112 -12.317 31.869 -9.910 1.00 0.00 O ATOM 1813 CB GLU A 112 -10.912 33.912 -12.111 1.00 0.00 C ATOM 1814 CG GLU A 112 -9.982 34.064 -13.302 1.00 0.00 C ATOM 1815 CD GLU A 112 -10.124 35.413 -13.975 1.00 0.00 C ATOM 1816 OE1 GLU A 112 -11.267 35.868 -14.193 1.00 0.00 O ATOM 1817 OE2 GLU A 112 -9.089 36.048 -14.260 1.00 0.00 O ATOM 0 H GLU A 112 -10.959 31.400 -12.554 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.498 33.111 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.911 33.672 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.982 34.870 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.951 33.931 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.191 33.276 -14.026 1.00 0.00 H new ATOM 1824 N HIS A 113 -11.415 33.748 -9.066 1.00 0.00 N ATOM 1825 CA HIS A 113 -12.411 33.879 -8.013 1.00 0.00 C ATOM 1826 C HIS A 113 -13.526 34.795 -8.507 1.00 0.00 C ATOM 1827 O HIS A 113 -14.400 35.220 -7.752 1.00 0.00 O ATOM 1828 CB HIS A 113 -11.775 34.420 -6.726 1.00 0.00 C ATOM 1829 CG HIS A 113 -12.666 34.317 -5.521 1.00 0.00 C ATOM 1830 ND1 HIS A 113 -12.913 33.130 -4.865 1.00 0.00 N ATOM 1831 CD2 HIS A 113 -13.376 35.261 -4.860 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -13.735 33.351 -3.856 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -14.030 34.634 -3.832 1.00 0.00 N ATOM 0 H HIS A 113 -10.678 34.453 -9.042 1.00 0.00 H new ATOM 0 HA HIS A 113 -12.828 32.900 -7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -10.851 33.875 -6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -11.503 35.465 -6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.419 36.313 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -14.103 32.606 -3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -14.646 35.088 -3.157 1.00 0.00 H new ATOM 1842 N HIS A 114 -13.472 35.097 -9.794 1.00 0.00 N ATOM 1843 CA HIS A 114 -14.523 35.847 -10.460 1.00 0.00 C ATOM 1844 C HIS A 114 -15.584 34.874 -10.948 1.00 0.00 C ATOM 1845 O HIS A 114 -15.411 33.659 -10.834 1.00 0.00 O ATOM 1846 CB HIS A 114 -13.966 36.623 -11.661 1.00 0.00 C ATOM 1847 CG HIS A 114 -12.831 37.547 -11.341 1.00 0.00 C ATOM 1848 ND1 HIS A 114 -11.672 37.594 -12.088 1.00 0.00 N ATOM 1849 CD2 HIS A 114 -12.684 38.472 -10.366 1.00 0.00 C ATOM 1850 CE1 HIS A 114 -10.863 38.505 -11.582 1.00 0.00 C ATOM 1851 NE2 HIS A 114 -11.454 39.058 -10.538 1.00 0.00 N ATOM 0 H HIS A 114 -12.700 34.830 -10.405 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.948 36.560 -9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.633 35.909 -12.414 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -14.774 37.203 -12.107 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -11.472 37.015 -12.904 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.402 38.707 -9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.882 38.756 -11.958 1.00 0.00 H new ATOM 1860 N HIS A 115 -16.675 35.389 -11.488 1.00 0.00 N ATOM 1861 CA HIS A 115 -17.665 34.524 -12.107 1.00 0.00 C ATOM 1862 C HIS A 115 -18.320 35.203 -13.302 1.00 0.00 C ATOM 1863 O HIS A 115 -19.262 34.670 -13.890 1.00 0.00 O ATOM 1864 CB HIS A 115 -18.722 34.073 -11.099 1.00 0.00 C ATOM 1865 CG HIS A 115 -19.049 32.616 -11.237 1.00 0.00 C ATOM 1866 ND1 HIS A 115 -19.106 31.751 -10.167 1.00 0.00 N ATOM 1867 CD2 HIS A 115 -19.306 31.866 -12.335 1.00 0.00 C ATOM 1868 CE1 HIS A 115 -19.379 30.536 -10.601 1.00 0.00 C ATOM 1869 NE2 HIS A 115 -19.505 30.575 -11.914 1.00 0.00 N ATOM 0 H HIS A 115 -16.896 36.384 -11.511 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.142 33.637 -12.464 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -18.365 34.270 -10.088 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.629 34.662 -11.237 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.347 32.219 -13.355 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -19.482 29.655 -9.984 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -19.715 29.779 -12.516 1.00 0.00 H new ATOM 1878 N HIS A 116 -17.829 36.383 -13.657 1.00 0.00 N ATOM 1879 CA HIS A 116 -18.230 37.015 -14.904 1.00 0.00 C ATOM 1880 C HIS A 116 -17.502 36.323 -16.052 1.00 0.00 C ATOM 1881 O HIS A 116 -18.012 36.218 -17.168 1.00 0.00 O ATOM 1882 CB HIS A 116 -17.923 38.518 -14.882 1.00 0.00 C ATOM 1883 CG HIS A 116 -18.421 39.253 -16.087 1.00 0.00 C ATOM 1884 ND1 HIS A 116 -19.658 39.853 -16.144 1.00 0.00 N ATOM 1885 CD2 HIS A 116 -17.843 39.477 -17.288 1.00 0.00 C ATOM 1886 CE1 HIS A 116 -19.820 40.409 -17.327 1.00 0.00 C ATOM 1887 NE2 HIS A 116 -18.733 40.196 -18.045 1.00 0.00 N ATOM 0 H HIS A 116 -17.159 36.917 -13.104 1.00 0.00 H new ATOM 0 HA HIS A 116 -19.307 36.912 -15.039 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -18.369 38.958 -13.990 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.845 38.658 -14.802 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -16.861 39.150 -17.595 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -20.696 40.949 -17.655 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -18.580 40.513 -19.002 1.00 0.00 H new ATOM 1896 N HIS A 117 -16.297 35.854 -15.758 1.00 0.00 N ATOM 1897 CA HIS A 117 -15.556 35.005 -16.676 1.00 0.00 C ATOM 1898 C HIS A 117 -15.936 33.551 -16.448 1.00 0.00 C ATOM 1899 O HIS A 117 -16.409 33.196 -15.367 1.00 0.00 O ATOM 1900 CB HIS A 117 -14.043 35.154 -16.480 1.00 0.00 C ATOM 1901 CG HIS A 117 -13.475 36.460 -16.936 1.00 0.00 C ATOM 1902 ND1 HIS A 117 -12.335 37.004 -16.393 1.00 0.00 N ATOM 1903 CD2 HIS A 117 -13.869 37.311 -17.912 1.00 0.00 C ATOM 1904 CE1 HIS A 117 -12.049 38.133 -17.014 1.00 0.00 C ATOM 1905 NE2 HIS A 117 -12.965 38.343 -17.940 1.00 0.00 N ATOM 0 H HIS A 117 -15.810 36.050 -14.883 1.00 0.00 H new ATOM 0 HA HIS A 117 -15.809 35.312 -17.691 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -13.814 35.024 -15.422 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -13.541 34.349 -17.016 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -11.794 36.598 -15.629 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -14.733 37.199 -18.550 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.208 38.776 -16.800 1.00 0.00 H new ATOM 1914 N HIS A 118 -15.731 32.732 -17.472 1.00 0.00 N ATOM 1915 CA HIS A 118 -15.937 31.288 -17.381 1.00 0.00 C ATOM 1916 C HIS A 118 -17.402 30.971 -17.089 1.00 0.00 C ATOM 1917 O HIS A 118 -18.244 31.226 -17.977 1.00 0.00 O ATOM 1918 CB HIS A 118 -15.024 30.692 -16.301 1.00 0.00 C ATOM 1919 CG HIS A 118 -14.776 29.226 -16.456 1.00 0.00 C ATOM 1920 ND1 HIS A 118 -13.755 28.724 -17.229 1.00 0.00 N ATOM 1921 CD2 HIS A 118 -15.403 28.153 -15.922 1.00 0.00 C ATOM 1922 CE1 HIS A 118 -13.763 27.409 -17.168 1.00 0.00 C ATOM 1923 NE2 HIS A 118 -14.752 27.034 -16.380 1.00 0.00 N ATOM 1924 OXT HIS A 118 -17.708 30.467 -15.986 1.00 0.00 O ATOM 0 H HIS A 118 -15.417 33.048 -18.390 1.00 0.00 H new ATOM 0 HA HIS A 118 -15.680 30.837 -18.339 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -14.068 31.216 -16.318 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -15.469 30.873 -15.323 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.256 28.173 -15.260 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -13.076 26.749 -17.677 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -14.994 26.070 -16.149 1.00 0.00 H new TER 1933 HIS A 118