USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 55 TYR OH : rot 62:sc= 0.844 USER MOD Set 1.2: A 69 THR OG1 : rot -88:sc= 0.0227 USER MOD Set 1.3: A 80 TYR OH : rot -44:sc= 0.531 USER MOD Set 2.1: A 28 THR OG1 : rot 119:sc= 0.939 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0.828 USER MOD Set 3.1: A 26 THR OG1 : rot -39:sc= 1.26 USER MOD Set 3.2: A 68 HIS : no HD1:sc= 1.05 K(o=2.3,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.489 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -178:sc= -0.211 (180deg=-0.244) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.448 K(o=-0.45,f=-3!) USER MOD Single : A 17 TYR OH : rot 100:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -127:sc=-0.00261 (180deg=-0.576) USER MOD Single : A 29 CYS SG : rot 18:sc= -0.28 USER MOD Single : A 34 ASN : amide:sc= -0.0362 K(o=-0.036,f=-2!) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.923) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.88 (180deg=1.79) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.488 USER MOD Single : A 54 HIS : no HD1:sc= -0.0757 K(o=-0.076,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.094) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0.539 USER MOD Single : A 65 CYS SG : rot 80:sc= -1.78 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 90:sc= 0 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.861 USER MOD Single : A 79 ASN : amide:sc= -0.0228 K(o=-0.023,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 173:sc= -0.0616 (180deg=-0.167) USER MOD Single : A 86 ASN : amide:sc= -0.693! C(o=-0.69!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= 0.813 K(o=0.81,f=-0.082) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc=0.000964 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -162:sc= -0.0492 (180deg=-0.414) USER MOD Single : A 100 GLN : amide:sc= 0.7 K(o=0.7,f=-0.062) USER MOD Single : A 103 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.3!) USER MOD Single : A 104 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.17) USER MOD Single : A 108 SER OG : rot 80:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.921 9.147 -5.832 1.00 0.00 N ATOM 2 CA GLY A 1 -1.409 7.955 -5.167 1.00 0.00 C ATOM 3 C GLY A 1 0.113 7.908 -5.214 1.00 0.00 C ATOM 4 O GLY A 1 0.788 8.777 -4.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.422 9.741 -5.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.129 9.684 -6.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.577 8.867 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.744 7.942 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.818 7.065 -5.645 1.00 0.00 H new ATOM 10 N GLY A 2 0.648 6.887 -5.875 1.00 0.00 N ATOM 11 CA GLY A 2 2.092 6.711 -5.971 1.00 0.00 C ATOM 12 C GLY A 2 2.669 6.169 -4.669 1.00 0.00 C ATOM 13 O GLY A 2 2.176 5.179 -4.126 1.00 0.00 O ATOM 0 H GLY A 2 0.103 6.169 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.324 6.027 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.562 7.665 -6.211 1.00 0.00 H new ATOM 17 N SER A 3 3.714 6.819 -4.173 1.00 0.00 N ATOM 18 CA SER A 3 4.375 6.388 -2.948 1.00 0.00 C ATOM 19 C SER A 3 5.083 7.552 -2.265 1.00 0.00 C ATOM 20 O SER A 3 5.062 8.681 -2.761 1.00 0.00 O ATOM 21 CB SER A 3 5.360 5.275 -3.250 1.00 0.00 C ATOM 22 OG SER A 3 6.453 5.729 -4.001 1.00 0.00 O ATOM 0 H SER A 3 4.123 7.649 -4.602 1.00 0.00 H new ATOM 0 HA SER A 3 3.613 6.012 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.717 4.844 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.852 4.479 -3.795 1.00 0.00 H new ATOM 0 HG SER A 3 7.064 4.983 -4.173 1.00 0.00 H new ATOM 28 N ASN A 4 5.704 7.275 -1.124 1.00 0.00 N ATOM 29 CA ASN A 4 6.406 8.300 -0.364 1.00 0.00 C ATOM 30 C ASN A 4 5.472 9.445 0.013 1.00 0.00 C ATOM 31 O ASN A 4 5.771 10.611 -0.237 1.00 0.00 O ATOM 32 CB ASN A 4 7.606 8.830 -1.126 1.00 0.00 C ATOM 33 CG ASN A 4 8.584 9.584 -0.267 1.00 0.00 C ATOM 34 OD1 ASN A 4 8.685 9.352 0.943 1.00 0.00 O ATOM 35 ND2 ASN A 4 9.245 10.539 -0.869 1.00 0.00 N ATOM 0 H ASN A 4 5.735 6.346 -0.705 1.00 0.00 H new ATOM 0 HA ASN A 4 6.764 7.832 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.121 7.995 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.258 9.485 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.880 11.134 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.126 10.689 -1.871 1.00 0.00 H new ATOM 42 N ALA A 5 4.338 9.099 0.614 1.00 0.00 N ATOM 43 CA ALA A 5 3.323 10.090 0.958 1.00 0.00 C ATOM 44 C ALA A 5 2.378 9.560 2.031 1.00 0.00 C ATOM 45 O ALA A 5 2.393 8.372 2.351 1.00 0.00 O ATOM 46 CB ALA A 5 2.547 10.506 -0.283 1.00 0.00 C ATOM 0 H ALA A 5 4.099 8.142 0.873 1.00 0.00 H new ATOM 0 HA ALA A 5 3.829 10.967 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.794 11.245 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.232 10.938 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.059 9.633 -0.716 1.00 0.00 H new ATOM 52 N THR A 6 1.556 10.449 2.578 1.00 0.00 N ATOM 53 CA THR A 6 0.664 10.091 3.674 1.00 0.00 C ATOM 54 C THR A 6 -0.757 10.573 3.410 1.00 0.00 C ATOM 55 O THR A 6 -0.977 11.733 3.070 1.00 0.00 O ATOM 56 CB THR A 6 1.152 10.674 5.013 1.00 0.00 C ATOM 57 OG1 THR A 6 2.473 10.192 5.294 1.00 0.00 O ATOM 58 CG2 THR A 6 0.218 10.271 6.143 1.00 0.00 C ATOM 0 H THR A 6 1.489 11.422 2.280 1.00 0.00 H new ATOM 0 HA THR A 6 0.668 9.003 3.738 1.00 0.00 H new ATOM 0 HB THR A 6 1.163 11.761 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.783 10.565 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.579 10.692 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.784 10.647 5.938 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.189 9.184 6.221 1.00 0.00 H new ATOM 66 N ALA A 7 -1.718 9.672 3.565 1.00 0.00 N ATOM 67 CA ALA A 7 -3.121 9.996 3.341 1.00 0.00 C ATOM 68 C ALA A 7 -3.584 11.104 4.279 1.00 0.00 C ATOM 69 O ALA A 7 -3.057 11.259 5.378 1.00 0.00 O ATOM 70 CB ALA A 7 -3.989 8.759 3.508 1.00 0.00 C ATOM 0 H ALA A 7 -1.550 8.706 3.846 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.223 10.356 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.033 9.021 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.683 8.000 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.874 8.368 4.519 1.00 0.00 H new ATOM 76 N PRO A 8 -4.575 11.873 3.835 1.00 0.00 N ATOM 77 CA PRO A 8 -5.098 12.978 4.627 1.00 0.00 C ATOM 78 C PRO A 8 -5.768 12.475 5.901 1.00 0.00 C ATOM 79 O PRO A 8 -6.436 11.440 5.896 1.00 0.00 O ATOM 80 CB PRO A 8 -6.091 13.672 3.689 1.00 0.00 C ATOM 81 CG PRO A 8 -6.459 12.624 2.696 1.00 0.00 C ATOM 82 CD PRO A 8 -5.215 11.797 2.508 1.00 0.00 C ATOM 0 HA PRO A 8 -4.318 13.658 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.966 14.030 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.640 14.538 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.286 12.013 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.780 13.070 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.449 10.770 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.574 12.201 1.725 1.00 0.00 H new ATOM 90 N PHE A 9 -5.581 13.207 6.994 1.00 0.00 N ATOM 91 CA PHE A 9 -6.150 12.826 8.278 1.00 0.00 C ATOM 92 C PHE A 9 -6.336 14.039 9.179 1.00 0.00 C ATOM 93 O PHE A 9 -5.392 14.784 9.438 1.00 0.00 O ATOM 94 CB PHE A 9 -5.262 11.788 8.968 1.00 0.00 C ATOM 95 CG PHE A 9 -5.730 11.410 10.345 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.807 10.552 10.515 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.096 11.911 11.471 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.238 10.203 11.781 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.524 11.563 12.738 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.597 10.709 12.892 1.00 0.00 C ATOM 0 H PHE A 9 -5.038 14.070 7.014 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.130 12.387 8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.219 10.891 8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.246 12.178 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.314 10.153 9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.257 12.582 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.077 9.534 11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.019 11.959 13.607 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.934 10.437 13.881 1.00 0.00 H new ATOM 110 N PHE A 10 -7.563 14.232 9.656 1.00 0.00 N ATOM 111 CA PHE A 10 -7.862 15.313 10.587 1.00 0.00 C ATOM 112 C PHE A 10 -7.340 14.997 11.985 1.00 0.00 C ATOM 113 O PHE A 10 -8.042 14.399 12.798 1.00 0.00 O ATOM 114 CB PHE A 10 -9.368 15.577 10.632 1.00 0.00 C ATOM 115 CG PHE A 10 -9.933 16.089 9.338 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.753 17.411 8.961 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.646 15.250 8.496 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.273 17.885 7.772 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.167 15.720 7.305 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.980 17.037 6.943 1.00 0.00 C ATOM 0 H PHE A 10 -8.366 13.652 9.412 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.356 16.211 10.232 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.881 14.654 10.902 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.577 16.300 11.420 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.199 18.079 9.605 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.796 14.217 8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.127 18.918 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.721 15.055 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.386 17.405 6.012 1.00 0.00 H new ATOM 130 N GLU A 11 -6.102 15.401 12.251 1.00 0.00 N ATOM 131 CA GLU A 11 -5.513 15.234 13.573 1.00 0.00 C ATOM 132 C GLU A 11 -6.158 16.173 14.587 1.00 0.00 C ATOM 133 O GLU A 11 -5.997 16.007 15.795 1.00 0.00 O ATOM 134 CB GLU A 11 -4.002 15.475 13.520 1.00 0.00 C ATOM 135 CG GLU A 11 -3.605 16.898 13.152 1.00 0.00 C ATOM 136 CD GLU A 11 -2.111 17.066 13.156 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.432 16.162 13.579 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.643 18.049 12.633 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.488 15.846 11.569 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.697 14.209 13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.573 15.231 14.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.562 14.789 12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.998 17.144 12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.054 17.597 13.858 1.00 0.00 H new ATOM 145 N MET A 12 -6.890 17.163 14.086 1.00 0.00 N ATOM 146 CA MET A 12 -7.774 17.964 14.923 1.00 0.00 C ATOM 147 C MET A 12 -9.093 18.252 14.217 1.00 0.00 C ATOM 148 O MET A 12 -9.159 19.101 13.327 1.00 0.00 O ATOM 149 CB MET A 12 -7.088 19.271 15.315 1.00 0.00 C ATOM 150 CG MET A 12 -7.896 20.147 16.262 1.00 0.00 C ATOM 151 SD MET A 12 -7.055 21.689 16.670 1.00 0.00 S ATOM 152 CE MET A 12 -7.342 22.636 15.178 1.00 0.00 C ATOM 0 H MET A 12 -6.888 17.430 13.101 1.00 0.00 H new ATOM 0 HA MET A 12 -7.993 17.392 15.825 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.131 19.039 15.782 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.871 19.839 14.410 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.861 20.373 15.808 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.098 19.594 17.179 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.850 23.605 15.262 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.937 22.097 14.321 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.413 22.783 15.041 1.00 0.00 H new ATOM 162 N LYS A 13 -10.142 17.539 14.619 1.00 0.00 N ATOM 163 CA LYS A 13 -11.422 17.605 13.927 1.00 0.00 C ATOM 164 C LYS A 13 -12.296 18.722 14.488 1.00 0.00 C ATOM 165 O LYS A 13 -12.041 19.232 15.579 1.00 0.00 O ATOM 166 CB LYS A 13 -12.152 16.264 14.026 1.00 0.00 C ATOM 167 CG LYS A 13 -11.490 15.129 13.255 1.00 0.00 C ATOM 168 CD LYS A 13 -12.262 13.828 13.415 1.00 0.00 C ATOM 169 CE LYS A 13 -11.609 12.697 12.634 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.357 11.418 12.778 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.129 16.909 15.421 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.224 17.824 12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.224 15.980 15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.171 16.391 13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.430 15.391 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.468 14.994 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.314 13.561 14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.287 13.966 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.554 12.968 11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.585 12.560 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.880 10.673 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.388 11.145 13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.327 11.541 12.423 1.00 0.00 H new ATOM 184 N LEU A 14 -13.324 19.097 13.734 1.00 0.00 N ATOM 185 CA LEU A 14 -14.316 20.049 14.213 1.00 0.00 C ATOM 186 C LEU A 14 -15.315 19.382 15.148 1.00 0.00 C ATOM 187 O LEU A 14 -15.380 18.157 15.231 1.00 0.00 O ATOM 188 CB LEU A 14 -15.043 20.696 13.027 1.00 0.00 C ATOM 189 CG LEU A 14 -14.156 21.530 12.093 1.00 0.00 C ATOM 190 CD1 LEU A 14 -14.965 22.012 10.897 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.575 22.708 12.861 1.00 0.00 C ATOM 0 H LEU A 14 -13.491 18.755 12.788 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.797 20.824 14.777 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.521 19.910 12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.838 21.334 13.413 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.336 20.913 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.327 22.603 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.352 21.153 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.796 22.626 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.945 23.300 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.386 23.329 13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.978 22.340 13.695 1.00 0.00 H new ATOM 203 N LYS A 15 -16.093 20.198 15.852 1.00 0.00 N ATOM 204 CA LYS A 15 -17.103 19.688 16.771 1.00 0.00 C ATOM 205 C LYS A 15 -18.432 20.406 16.587 1.00 0.00 C ATOM 206 O LYS A 15 -18.554 21.298 15.745 1.00 0.00 O ATOM 207 CB LYS A 15 -16.627 19.827 18.218 1.00 0.00 C ATOM 208 CG LYS A 15 -16.396 21.263 18.670 1.00 0.00 C ATOM 209 CD LYS A 15 -15.874 21.317 20.097 1.00 0.00 C ATOM 210 CE LYS A 15 -15.702 22.753 20.571 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.206 22.822 21.972 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.043 21.216 15.803 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.254 18.632 16.546 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.364 19.366 18.876 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.699 19.268 18.338 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.684 21.747 18.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.329 21.823 18.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.564 20.794 20.759 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.919 20.796 20.157 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.004 23.271 19.913 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.656 23.276 20.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.103 23.817 22.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.884 22.351 22.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.284 22.346 22.038 1.00 0.00 H new ATOM 225 N HIS A 16 -19.427 20.014 17.376 1.00 0.00 N ATOM 226 CA HIS A 16 -20.736 20.656 17.333 1.00 0.00 C ATOM 227 C HIS A 16 -20.685 22.043 17.959 1.00 0.00 C ATOM 228 O HIS A 16 -20.568 22.182 19.178 1.00 0.00 O ATOM 229 CB HIS A 16 -21.785 19.797 18.046 1.00 0.00 C ATOM 230 CG HIS A 16 -23.178 20.335 17.936 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.256 19.740 18.558 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.669 21.410 17.277 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.351 20.429 18.286 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.022 21.446 17.511 1.00 0.00 N ATOM 0 H HIS A 16 -19.352 19.255 18.053 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.020 20.760 16.286 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.760 18.789 17.631 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.519 19.714 19.100 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.215 18.901 19.136 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.103 22.109 16.679 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.346 20.199 18.638 1.00 0.00 H new ATOM 242 N TYR A 17 -20.779 23.070 17.123 1.00 0.00 N ATOM 243 CA TYR A 17 -20.710 24.449 17.587 1.00 0.00 C ATOM 244 C TYR A 17 -22.101 25.047 17.752 1.00 0.00 C ATOM 245 O TYR A 17 -23.026 24.705 17.015 1.00 0.00 O ATOM 246 CB TYR A 17 -19.885 25.298 16.618 1.00 0.00 C ATOM 247 CG TYR A 17 -18.463 24.815 16.437 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.526 24.968 17.448 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.062 24.209 15.255 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.226 24.528 17.288 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.764 23.765 15.085 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.849 23.927 16.105 1.00 0.00 C ATOM 253 OH TYR A 17 -14.555 23.489 15.940 1.00 0.00 O ATOM 0 H TYR A 17 -20.904 22.972 16.115 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.223 24.448 18.562 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.381 25.309 15.647 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.866 26.327 16.978 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.817 25.439 18.375 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.776 24.082 14.455 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.509 24.654 18.085 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.468 23.294 14.159 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.515 22.522 16.093 1.00 0.00 H new ATOM 263 N LYS A 18 -22.243 25.942 18.723 1.00 0.00 N ATOM 264 CA LYS A 18 -23.504 26.639 18.944 1.00 0.00 C ATOM 265 C LYS A 18 -23.282 28.133 19.144 1.00 0.00 C ATOM 266 O LYS A 18 -22.335 28.546 19.807 1.00 0.00 O ATOM 267 CB LYS A 18 -24.237 26.051 20.150 1.00 0.00 C ATOM 268 CG LYS A 18 -24.722 24.621 19.955 1.00 0.00 C ATOM 269 CD LYS A 18 -25.515 24.136 21.160 1.00 0.00 C ATOM 270 CE LYS A 18 -25.963 22.693 20.985 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.737 22.204 22.157 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.499 26.202 19.371 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.119 26.503 18.054 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.573 26.082 21.014 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.093 26.684 20.383 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.344 24.564 19.061 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.868 23.964 19.791 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.904 24.222 22.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.387 24.774 21.305 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.574 22.610 20.086 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.090 22.058 20.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.023 21.217 21.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.146 22.259 23.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.584 22.794 22.284 1.00 0.00 H new ATOM 285 N ILE A 19 -24.166 28.940 18.561 1.00 0.00 N ATOM 286 CA ILE A 19 -24.037 30.392 18.632 1.00 0.00 C ATOM 287 C ILE A 19 -25.402 31.064 18.614 1.00 0.00 C ATOM 288 O ILE A 19 -26.362 30.533 18.055 1.00 0.00 O ATOM 289 CB ILE A 19 -23.190 30.943 17.470 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.750 32.379 17.765 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.969 30.878 16.166 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.737 32.491 18.881 1.00 0.00 C ATOM 0 H ILE A 19 -24.977 28.613 18.036 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.534 30.618 19.573 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.298 30.324 17.367 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.327 32.813 16.859 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.627 32.972 18.023 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.355 31.271 15.356 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.233 29.843 15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.878 31.473 16.255 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.475 33.538 19.031 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.162 32.089 19.800 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.842 31.927 18.618 1.00 0.00 H new ATOM 304 N PHE A 20 -25.484 32.242 19.230 1.00 0.00 N ATOM 305 CA PHE A 20 -26.688 33.060 19.158 1.00 0.00 C ATOM 306 C PHE A 20 -26.766 33.812 17.836 1.00 0.00 C ATOM 307 O PHE A 20 -25.745 34.215 17.280 1.00 0.00 O ATOM 308 CB PHE A 20 -26.733 34.046 20.327 1.00 0.00 C ATOM 309 CG PHE A 20 -27.079 33.410 21.643 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.398 33.135 21.972 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.086 33.084 22.554 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.718 32.551 23.182 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.403 32.499 23.765 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.718 32.232 24.080 1.00 0.00 C ATOM 0 H PHE A 20 -24.730 32.649 19.784 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.549 32.394 19.221 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.763 34.536 20.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.464 34.824 20.106 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.184 33.380 21.274 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.053 33.290 22.314 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.749 32.344 23.426 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.619 32.251 24.466 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.966 31.775 25.026 1.00 0.00 H new ATOM 324 N GLU A 21 -27.984 33.995 17.338 1.00 0.00 N ATOM 325 CA GLU A 21 -28.196 34.666 16.060 1.00 0.00 C ATOM 326 C GLU A 21 -27.521 36.031 16.036 1.00 0.00 C ATOM 327 O GLU A 21 -27.765 36.871 16.901 1.00 0.00 O ATOM 328 CB GLU A 21 -29.692 34.814 15.774 1.00 0.00 C ATOM 329 CG GLU A 21 -30.016 35.411 14.412 1.00 0.00 C ATOM 330 CD GLU A 21 -31.500 35.533 14.208 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.235 35.147 15.085 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.899 36.114 13.226 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.840 33.688 17.800 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.746 34.050 15.282 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.162 33.834 15.849 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.137 35.441 16.547 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.553 36.394 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.589 34.786 13.628 1.00 0.00 H new ATOM 339 N GLY A 22 -26.670 36.246 15.038 1.00 0.00 N ATOM 340 CA GLY A 22 -26.084 37.560 14.801 1.00 0.00 C ATOM 341 C GLY A 22 -24.647 37.622 15.305 1.00 0.00 C ATOM 342 O GLY A 22 -23.889 38.520 14.940 1.00 0.00 O ATOM 0 H GLY A 22 -26.371 35.526 14.380 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.108 37.785 13.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.681 38.323 15.301 1.00 0.00 H new ATOM 346 N MET A 23 -24.279 36.662 16.149 1.00 0.00 N ATOM 347 CA MET A 23 -22.964 36.658 16.777 1.00 0.00 C ATOM 348 C MET A 23 -21.923 36.011 15.875 1.00 0.00 C ATOM 349 O MET A 23 -22.248 35.169 15.037 1.00 0.00 O ATOM 350 CB MET A 23 -23.024 35.932 18.120 1.00 0.00 C ATOM 351 CG MET A 23 -23.943 36.580 19.146 1.00 0.00 C ATOM 352 SD MET A 23 -23.398 38.233 19.622 1.00 0.00 S ATOM 353 CE MET A 23 -21.952 37.843 20.603 1.00 0.00 C ATOM 0 H MET A 23 -24.874 35.877 16.413 1.00 0.00 H new ATOM 0 HA MET A 23 -22.667 37.693 16.944 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.354 34.907 17.951 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.018 35.878 18.535 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.952 36.638 18.739 1.00 0.00 H new ATOM 0 HG3 MET A 23 -23.993 35.949 20.033 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.032 38.327 21.577 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.885 36.764 20.739 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.058 38.201 20.092 1.00 0.00 H new ATOM 363 N PRO A 24 -20.669 36.410 16.052 1.00 0.00 N ATOM 364 CA PRO A 24 -19.572 35.855 15.266 1.00 0.00 C ATOM 365 C PRO A 24 -19.206 34.454 15.745 1.00 0.00 C ATOM 366 O PRO A 24 -19.417 34.110 16.905 1.00 0.00 O ATOM 367 CB PRO A 24 -18.426 36.852 15.468 1.00 0.00 C ATOM 368 CG PRO A 24 -18.666 37.423 16.824 1.00 0.00 C ATOM 369 CD PRO A 24 -20.162 37.494 16.968 1.00 0.00 C ATOM 0 HA PRO A 24 -19.825 35.735 14.213 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.456 36.359 15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.435 37.628 14.703 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.226 36.795 17.598 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.215 38.410 16.920 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.472 37.323 17.999 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.545 38.473 16.678 1.00 0.00 H new ATOM 377 N VAL A 25 -18.652 33.652 14.838 1.00 0.00 N ATOM 378 CA VAL A 25 -18.225 32.299 15.174 1.00 0.00 C ATOM 379 C VAL A 25 -16.845 32.002 14.601 1.00 0.00 C ATOM 380 O VAL A 25 -16.606 32.189 13.408 1.00 0.00 O ATOM 381 CB VAL A 25 -19.224 31.247 14.657 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.796 29.851 15.087 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.627 31.551 15.160 1.00 0.00 C ATOM 0 H VAL A 25 -18.489 33.917 13.867 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.184 32.241 16.262 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.233 31.286 13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.513 29.120 14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.809 29.632 14.681 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.760 29.801 16.175 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.319 30.797 14.785 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.633 31.539 16.250 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.935 32.535 14.806 1.00 0.00 H new ATOM 393 N THR A 26 -15.943 31.534 15.457 1.00 0.00 N ATOM 394 CA THR A 26 -14.591 31.186 15.029 1.00 0.00 C ATOM 395 C THR A 26 -14.287 29.717 15.314 1.00 0.00 C ATOM 396 O THR A 26 -14.411 29.259 16.449 1.00 0.00 O ATOM 397 CB THR A 26 -13.534 32.064 15.722 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.789 33.444 15.430 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.138 31.698 15.243 1.00 0.00 C ATOM 0 H THR A 26 -16.122 31.387 16.450 1.00 0.00 H new ATOM 0 HA THR A 26 -14.545 31.363 13.954 1.00 0.00 H new ATOM 0 HB THR A 26 -13.593 31.896 16.797 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.076 33.533 14.497 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.404 32.329 15.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.936 30.652 15.475 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.072 31.850 14.166 1.00 0.00 H new ATOM 407 N PHE A 27 -13.886 28.993 14.278 1.00 0.00 N ATOM 408 CA PHE A 27 -13.482 27.598 14.432 1.00 0.00 C ATOM 409 C PHE A 27 -12.430 27.213 13.397 1.00 0.00 C ATOM 410 O PHE A 27 -12.302 27.865 12.360 1.00 0.00 O ATOM 411 CB PHE A 27 -14.696 26.674 14.318 1.00 0.00 C ATOM 412 CG PHE A 27 -15.473 26.848 13.044 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.431 27.844 12.930 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.246 26.017 11.957 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.147 28.005 11.760 1.00 0.00 C ATOM 416 CE2 PHE A 27 -15.960 26.177 10.784 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.911 27.170 10.686 1.00 0.00 C ATOM 0 H PHE A 27 -13.831 29.346 13.323 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.043 27.484 15.423 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.361 25.639 14.390 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.359 26.854 15.164 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.619 28.501 13.766 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.503 25.236 12.028 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.891 28.784 11.685 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.773 25.524 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.471 27.295 9.771 1.00 0.00 H new ATOM 427 N THR A 28 -11.680 26.158 13.687 1.00 0.00 N ATOM 428 CA THR A 28 -10.533 25.785 12.868 1.00 0.00 C ATOM 429 C THR A 28 -10.271 24.286 12.939 1.00 0.00 C ATOM 430 O THR A 28 -10.676 23.619 13.892 1.00 0.00 O ATOM 431 CB THR A 28 -9.262 26.540 13.299 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.191 26.229 12.399 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.861 26.146 14.713 1.00 0.00 C ATOM 0 H THR A 28 -11.845 25.544 14.485 1.00 0.00 H new ATOM 0 HA THR A 28 -10.776 26.060 11.842 1.00 0.00 H new ATOM 0 HB THR A 28 -9.467 27.610 13.275 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.890 27.048 11.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.961 26.689 15.001 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.669 26.392 15.402 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.665 25.074 14.750 1.00 0.00 H new ATOM 441 N CYS A 29 -9.585 23.759 11.929 1.00 0.00 N ATOM 442 CA CYS A 29 -9.333 22.327 11.839 1.00 0.00 C ATOM 443 C CYS A 29 -7.942 22.048 11.286 1.00 0.00 C ATOM 444 O CYS A 29 -7.466 22.748 10.390 1.00 0.00 O ATOM 445 CB CYS A 29 -10.407 21.857 10.857 1.00 0.00 C ATOM 446 SG CYS A 29 -10.580 20.060 10.740 1.00 0.00 S ATOM 0 H CYS A 29 -9.194 24.304 11.161 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.372 21.823 12.805 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.365 22.283 11.154 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.175 22.252 9.868 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.021 19.502 11.773 1.00 0.00 H new ATOM 452 N ARG A 30 -7.289 21.023 11.823 1.00 0.00 N ATOM 453 CA ARG A 30 -5.902 20.734 11.487 1.00 0.00 C ATOM 454 C ARG A 30 -5.754 19.327 10.919 1.00 0.00 C ATOM 455 O ARG A 30 -6.337 18.373 11.436 1.00 0.00 O ATOM 456 CB ARG A 30 -4.968 20.961 12.666 1.00 0.00 C ATOM 457 CG ARG A 30 -3.492 20.759 12.360 1.00 0.00 C ATOM 458 CD ARG A 30 -2.592 20.967 13.523 1.00 0.00 C ATOM 459 NE ARG A 30 -1.206 20.597 13.287 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.264 21.428 12.799 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.561 22.663 12.460 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.963 20.962 12.647 1.00 0.00 N ATOM 0 H ARG A 30 -7.701 20.377 12.496 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.606 21.439 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.112 21.976 13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.253 20.285 13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.347 19.748 11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.201 21.444 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.630 22.017 13.812 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.970 20.390 14.367 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.927 19.641 13.506 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.516 23.005 12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.164 23.279 12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.176 19.996 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.697 21.568 12.280 1.00 0.00 H new ATOM 476 N VAL A 31 -4.971 19.204 9.852 1.00 0.00 N ATOM 477 CA VAL A 31 -4.736 17.914 9.220 1.00 0.00 C ATOM 478 C VAL A 31 -3.258 17.542 9.254 1.00 0.00 C ATOM 479 O VAL A 31 -2.398 18.406 9.422 1.00 0.00 O ATOM 480 CB VAL A 31 -5.226 17.905 7.759 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.732 18.111 7.701 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.511 18.978 6.951 1.00 0.00 C ATOM 0 H VAL A 31 -4.488 19.985 9.407 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.303 17.177 9.789 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.994 16.933 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.061 18.102 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.230 17.309 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.986 19.070 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.869 18.958 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.713 19.957 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.438 18.790 6.965 1.00 0.00 H new ATOM 492 N ALA A 32 -2.972 16.255 9.095 1.00 0.00 N ATOM 493 CA ALA A 32 -1.596 15.777 9.050 1.00 0.00 C ATOM 494 C ALA A 32 -1.294 15.086 7.727 1.00 0.00 C ATOM 495 O ALA A 32 -0.506 14.140 7.676 1.00 0.00 O ATOM 496 CB ALA A 32 -1.322 14.839 10.218 1.00 0.00 C ATOM 0 H ALA A 32 -3.676 15.523 8.995 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.937 16.641 9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.290 14.490 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.483 15.370 11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.996 13.984 10.164 1.00 0.00 H new ATOM 502 N GLY A 33 -1.926 15.559 6.661 1.00 0.00 N ATOM 503 CA GLY A 33 -1.785 14.939 5.347 1.00 0.00 C ATOM 504 C GLY A 33 -0.451 15.301 4.711 1.00 0.00 C ATOM 505 O GLY A 33 0.196 16.272 5.106 1.00 0.00 O ATOM 0 H GLY A 33 -2.543 16.371 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.864 13.856 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.600 15.263 4.699 1.00 0.00 H new ATOM 509 N ASN A 34 -0.037 14.512 3.717 1.00 0.00 N ATOM 510 CA ASN A 34 1.219 14.755 3.014 1.00 0.00 C ATOM 511 C ASN A 34 1.151 14.249 1.593 1.00 0.00 C ATOM 512 O ASN A 34 1.147 13.042 1.346 1.00 0.00 O ATOM 513 CB ASN A 34 2.386 14.073 3.786 1.00 0.00 C ATOM 514 CG ASN A 34 3.810 14.417 3.337 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.057 14.825 2.212 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.795 14.247 4.178 1.00 0.00 N ATOM 0 H ASN A 34 -0.555 13.700 3.383 1.00 0.00 H new ATOM 0 HA ASN A 34 1.397 15.830 2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.291 14.331 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.258 12.993 3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.752 14.454 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.607 13.907 5.121 1.00 0.00 H new ATOM 523 N PRO A 35 1.126 15.179 0.644 1.00 0.00 N ATOM 524 CA PRO A 35 1.367 16.584 0.942 1.00 0.00 C ATOM 525 C PRO A 35 0.162 17.215 1.629 1.00 0.00 C ATOM 526 O PRO A 35 -0.933 16.654 1.624 1.00 0.00 O ATOM 527 CB PRO A 35 1.646 17.216 -0.424 1.00 0.00 C ATOM 528 CG PRO A 35 1.965 16.058 -1.311 1.00 0.00 C ATOM 529 CD PRO A 35 1.135 14.916 -0.787 1.00 0.00 C ATOM 0 HA PRO A 35 2.196 16.732 1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.781 17.770 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.477 17.919 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.719 16.279 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.028 15.819 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.130 14.916 -1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.579 13.948 -1.021 1.00 0.00 H new ATOM 537 N LYS A 36 0.376 18.387 2.224 1.00 0.00 N ATOM 538 CA LYS A 36 -0.698 19.100 2.908 1.00 0.00 C ATOM 539 C LYS A 36 -1.907 19.277 1.997 1.00 0.00 C ATOM 540 O LYS A 36 -1.816 19.911 0.946 1.00 0.00 O ATOM 541 CB LYS A 36 -0.208 20.462 3.402 1.00 0.00 C ATOM 542 CG LYS A 36 0.973 20.396 4.361 1.00 0.00 C ATOM 543 CD LYS A 36 0.546 19.888 5.730 1.00 0.00 C ATOM 544 CE LYS A 36 1.751 19.565 6.602 1.00 0.00 C ATOM 545 NZ LYS A 36 1.374 19.397 8.032 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.279 18.860 2.246 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.002 18.502 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.073 21.068 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.034 20.974 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.741 19.740 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.419 21.386 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.071 20.640 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.070 18.997 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.225 18.652 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.488 20.363 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.132 18.891 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.235 20.332 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.491 18.851 8.096 1.00 0.00 H new ATOM 559 N PRO A 37 -3.038 18.715 2.408 1.00 0.00 N ATOM 560 CA PRO A 37 -4.257 18.775 1.610 1.00 0.00 C ATOM 561 C PRO A 37 -4.651 20.216 1.316 1.00 0.00 C ATOM 562 O PRO A 37 -4.407 21.115 2.118 1.00 0.00 O ATOM 563 CB PRO A 37 -5.301 18.055 2.468 1.00 0.00 C ATOM 564 CG PRO A 37 -4.505 17.135 3.329 1.00 0.00 C ATOM 565 CD PRO A 37 -3.223 17.870 3.619 1.00 0.00 C ATOM 0 HA PRO A 37 -4.145 18.309 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.877 18.760 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.012 17.506 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.039 16.898 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.310 16.191 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.300 18.473 4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.388 17.184 3.763 1.00 0.00 H new ATOM 573 N LYS A 38 -5.265 20.432 0.154 1.00 0.00 N ATOM 574 CA LYS A 38 -5.778 21.747 -0.206 1.00 0.00 C ATOM 575 C LYS A 38 -7.120 22.022 0.461 1.00 0.00 C ATOM 576 O LYS A 38 -8.155 22.062 -0.200 1.00 0.00 O ATOM 577 CB LYS A 38 -5.912 21.869 -1.725 1.00 0.00 C ATOM 578 CG LYS A 38 -4.589 21.824 -2.479 1.00 0.00 C ATOM 579 CD LYS A 38 -4.796 22.032 -3.972 1.00 0.00 C ATOM 580 CE LYS A 38 -3.475 21.986 -4.726 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.665 22.160 -6.192 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.418 19.712 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.065 22.490 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.550 21.063 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.418 22.806 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.921 22.593 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.103 20.864 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.465 21.263 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.282 22.993 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.815 22.768 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.981 21.033 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.741 22.122 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.274 21.399 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.113 23.080 -6.377 1.00 0.00 H new ATOM 595 N ILE A 39 -7.091 22.206 1.778 1.00 0.00 N ATOM 596 CA ILE A 39 -8.314 22.272 2.569 1.00 0.00 C ATOM 597 C ILE A 39 -9.377 23.109 1.868 1.00 0.00 C ATOM 598 O ILE A 39 -9.162 24.283 1.570 1.00 0.00 O ATOM 599 CB ILE A 39 -8.050 22.859 3.968 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.115 21.945 4.763 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.360 23.065 4.714 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.638 20.537 4.935 1.00 0.00 C ATOM 0 H ILE A 39 -6.233 22.312 2.319 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.675 21.249 2.678 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.565 23.828 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.148 21.905 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.945 22.382 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.155 23.480 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.993 23.754 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.872 22.109 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.921 19.950 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.590 20.565 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.781 20.080 3.956 1.00 0.00 H new ATOM 614 N TYR A 40 -10.528 22.496 1.607 1.00 0.00 N ATOM 615 CA TYR A 40 -11.667 23.210 1.046 1.00 0.00 C ATOM 616 C TYR A 40 -12.783 23.362 2.073 1.00 0.00 C ATOM 617 O TYR A 40 -13.044 22.451 2.857 1.00 0.00 O ATOM 618 CB TYR A 40 -12.192 22.486 -0.197 1.00 0.00 C ATOM 619 CG TYR A 40 -11.214 22.460 -1.350 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.948 23.608 -2.082 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.561 21.289 -1.705 1.00 0.00 C ATOM 622 CE1 TYR A 40 -10.056 23.591 -3.137 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.667 21.260 -2.757 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.417 22.414 -3.472 1.00 0.00 C ATOM 625 OH TYR A 40 -8.528 22.391 -4.522 1.00 0.00 O ATOM 0 H TYR A 40 -10.695 21.504 1.776 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.329 24.206 0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.448 21.461 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.112 22.969 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.446 24.530 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.755 20.384 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.860 24.494 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.166 20.340 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.166 21.486 -4.624 1.00 0.00 H new ATOM 635 N TRP A 41 -13.437 24.517 2.061 1.00 0.00 N ATOM 636 CA TRP A 41 -14.593 24.753 2.922 1.00 0.00 C ATOM 637 C TRP A 41 -15.866 24.901 2.102 1.00 0.00 C ATOM 638 O TRP A 41 -15.877 25.553 1.058 1.00 0.00 O ATOM 639 CB TRP A 41 -14.375 26.000 3.781 1.00 0.00 C ATOM 640 CG TRP A 41 -13.233 25.872 4.743 1.00 0.00 C ATOM 641 CD1 TRP A 41 -11.932 26.205 4.513 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.290 25.376 6.086 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.173 25.948 5.627 1.00 0.00 N ATOM 644 CE2 TRP A 41 -11.986 25.439 6.609 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.320 24.885 6.898 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -11.682 25.031 7.898 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.015 24.477 8.191 1.00 0.00 C ATOM 648 CH2 TRP A 41 -12.734 24.549 8.677 1.00 0.00 C ATOM 0 H TRP A 41 -13.188 25.306 1.465 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.705 23.888 3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.196 26.854 3.128 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.287 26.211 4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.553 26.612 3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.169 26.109 5.712 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.332 24.825 6.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -10.674 25.084 8.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -14.802 24.096 8.825 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.535 24.224 9.688 1.00 0.00 H new ATOM 659 N PHE A 42 -16.945 24.291 2.583 1.00 0.00 N ATOM 660 CA PHE A 42 -18.265 24.488 1.995 1.00 0.00 C ATOM 661 C PHE A 42 -19.367 24.251 3.017 1.00 0.00 C ATOM 662 O PHE A 42 -19.235 23.406 3.903 1.00 0.00 O ATOM 663 CB PHE A 42 -18.458 23.564 0.791 1.00 0.00 C ATOM 664 CG PHE A 42 -18.219 22.113 1.098 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.937 21.585 1.071 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.277 21.273 1.413 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.716 20.250 1.351 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.058 19.937 1.695 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.779 19.426 1.664 1.00 0.00 C ATOM 0 H PHE A 42 -16.931 23.655 3.380 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.328 25.524 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.473 23.683 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.781 23.874 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.101 22.225 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.282 21.667 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.713 19.851 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.890 19.294 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.608 18.383 1.884 1.00 0.00 H new ATOM 679 N LYS A 43 -20.454 25.004 2.893 1.00 0.00 N ATOM 680 CA LYS A 43 -21.537 24.955 3.872 1.00 0.00 C ATOM 681 C LYS A 43 -22.783 24.308 3.283 1.00 0.00 C ATOM 682 O LYS A 43 -23.443 24.883 2.419 1.00 0.00 O ATOM 683 CB LYS A 43 -21.861 26.363 4.378 1.00 0.00 C ATOM 684 CG LYS A 43 -22.806 26.396 5.570 1.00 0.00 C ATOM 685 CD LYS A 43 -24.255 26.538 5.125 1.00 0.00 C ATOM 686 CE LYS A 43 -25.168 26.862 6.297 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.600 26.604 5.978 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.610 25.656 2.125 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.204 24.345 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.931 26.861 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.302 26.937 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.691 25.482 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.541 27.227 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.331 27.325 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.584 25.613 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.876 26.264 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.042 27.908 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.170 26.690 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.930 27.297 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.702 25.644 5.591 1.00 0.00 H new ATOM 701 N ASP A 44 -23.099 23.107 3.757 1.00 0.00 N ATOM 702 CA ASP A 44 -24.221 22.345 3.220 1.00 0.00 C ATOM 703 C ASP A 44 -24.096 22.167 1.712 1.00 0.00 C ATOM 704 O ASP A 44 -25.098 22.128 0.997 1.00 0.00 O ATOM 705 CB ASP A 44 -25.548 23.028 3.561 1.00 0.00 C ATOM 706 CG ASP A 44 -25.933 22.957 5.032 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.311 22.214 5.755 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.736 23.752 5.456 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.595 22.641 4.511 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.203 21.358 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.491 24.075 3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.340 22.571 2.968 1.00 0.00 H new ATOM 713 N GLY A 45 -22.862 22.063 1.235 1.00 0.00 N ATOM 714 CA GLY A 45 -22.606 21.822 -0.181 1.00 0.00 C ATOM 715 C GLY A 45 -22.355 23.130 -0.924 1.00 0.00 C ATOM 716 O GLY A 45 -22.132 23.132 -2.133 1.00 0.00 O ATOM 0 H GLY A 45 -22.022 22.142 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.742 21.166 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.457 21.306 -0.625 1.00 0.00 H new ATOM 720 N LYS A 46 -22.392 24.237 -0.189 1.00 0.00 N ATOM 721 CA LYS A 46 -22.186 25.553 -0.781 1.00 0.00 C ATOM 722 C LYS A 46 -20.733 25.992 -0.656 1.00 0.00 C ATOM 723 O LYS A 46 -20.302 26.451 0.404 1.00 0.00 O ATOM 724 CB LYS A 46 -23.105 26.585 -0.126 1.00 0.00 C ATOM 725 CG LYS A 46 -24.592 26.304 -0.302 1.00 0.00 C ATOM 726 CD LYS A 46 -25.439 27.325 0.443 1.00 0.00 C ATOM 727 CE LYS A 46 -26.925 27.074 0.228 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.763 28.138 0.845 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.563 24.248 0.817 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.431 25.483 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.880 26.630 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.882 27.568 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.845 26.323 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.821 25.303 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.211 27.282 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.185 28.329 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.133 27.022 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.195 26.107 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.768 27.930 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.584 28.171 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.524 29.057 0.422 1.00 0.00 H new ATOM 742 N GLN A 47 -19.979 25.848 -1.740 1.00 0.00 N ATOM 743 CA GLN A 47 -18.562 26.189 -1.741 1.00 0.00 C ATOM 744 C GLN A 47 -18.333 27.589 -1.190 1.00 0.00 C ATOM 745 O GLN A 47 -18.970 28.551 -1.624 1.00 0.00 O ATOM 746 CB GLN A 47 -17.988 26.092 -3.158 1.00 0.00 C ATOM 747 CG GLN A 47 -16.489 26.325 -3.239 1.00 0.00 C ATOM 748 CD GLN A 47 -15.959 26.195 -4.654 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.726 26.019 -5.605 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.642 26.276 -4.802 1.00 0.00 N ATOM 0 H GLN A 47 -20.327 25.496 -2.632 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.049 25.475 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.214 25.105 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.493 26.820 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.258 27.319 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.978 25.609 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.045 26.422 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.227 26.192 -5.730 1.00 0.00 H new ATOM 759 N ILE A 48 -17.422 27.700 -0.228 1.00 0.00 N ATOM 760 CA ILE A 48 -17.131 28.979 0.410 1.00 0.00 C ATOM 761 C ILE A 48 -15.875 29.612 -0.174 1.00 0.00 C ATOM 762 O ILE A 48 -14.809 28.997 -0.187 1.00 0.00 O ATOM 763 CB ILE A 48 -16.956 28.825 1.932 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.252 28.319 2.570 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.533 30.147 2.555 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.099 27.904 4.015 1.00 0.00 C ATOM 0 H ILE A 48 -16.872 26.918 0.127 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.985 29.628 0.216 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.172 28.091 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.008 29.102 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.622 27.470 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.414 30.020 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.586 30.468 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.295 30.901 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.059 27.557 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.368 27.099 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.760 28.756 4.604 1.00 0.00 H new ATOM 778 N SER A 49 -16.003 30.844 -0.646 1.00 0.00 N ATOM 779 CA SER A 49 -14.856 31.609 -1.120 1.00 0.00 C ATOM 780 C SER A 49 -14.182 32.359 0.023 1.00 0.00 C ATOM 781 O SER A 49 -14.849 33.002 0.833 1.00 0.00 O ATOM 782 CB SER A 49 -15.286 32.577 -2.205 1.00 0.00 C ATOM 783 OG SER A 49 -14.238 33.414 -2.609 1.00 0.00 O ATOM 0 H SER A 49 -16.893 31.338 -0.711 1.00 0.00 H new ATOM 0 HA SER A 49 -14.131 30.909 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.654 32.017 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.115 33.184 -1.841 1.00 0.00 H new ATOM 0 HG SER A 49 -14.556 34.021 -3.310 1.00 0.00 H new ATOM 789 N PRO A 50 -12.858 32.268 0.084 1.00 0.00 N ATOM 790 CA PRO A 50 -12.090 32.958 1.112 1.00 0.00 C ATOM 791 C PRO A 50 -12.396 34.452 1.121 1.00 0.00 C ATOM 792 O PRO A 50 -12.495 35.081 0.067 1.00 0.00 O ATOM 793 CB PRO A 50 -10.631 32.670 0.745 1.00 0.00 C ATOM 794 CG PRO A 50 -10.686 31.390 -0.017 1.00 0.00 C ATOM 795 CD PRO A 50 -11.972 31.445 -0.797 1.00 0.00 C ATOM 0 HA PRO A 50 -12.331 32.617 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.207 33.473 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.008 32.576 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.827 31.291 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.670 30.532 0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.833 31.906 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.384 30.451 -0.969 1.00 0.00 H new ATOM 803 N LYS A 51 -12.546 35.014 2.316 1.00 0.00 N ATOM 804 CA LYS A 51 -12.800 36.441 2.463 1.00 0.00 C ATOM 805 C LYS A 51 -14.069 36.854 1.729 1.00 0.00 C ATOM 806 O LYS A 51 -14.041 37.731 0.865 1.00 0.00 O ATOM 807 CB LYS A 51 -11.608 37.252 1.950 1.00 0.00 C ATOM 808 CG LYS A 51 -10.308 37.004 2.703 1.00 0.00 C ATOM 809 CD LYS A 51 -9.175 37.852 2.145 1.00 0.00 C ATOM 810 CE LYS A 51 -7.879 37.615 2.905 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.742 38.377 2.319 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.496 34.502 3.197 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.939 36.647 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.453 37.021 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.852 38.313 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.448 37.231 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.042 35.949 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.028 37.618 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.445 38.906 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.011 37.906 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.644 36.551 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.878 38.187 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.598 38.082 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.954 39.395 2.349 1.00 0.00 H new ATOM 825 N SER A 52 -15.182 36.217 2.081 1.00 0.00 N ATOM 826 CA SER A 52 -16.469 36.535 1.474 1.00 0.00 C ATOM 827 C SER A 52 -17.245 37.536 2.321 1.00 0.00 C ATOM 828 O SER A 52 -16.671 38.227 3.163 1.00 0.00 O ATOM 829 CB SER A 52 -17.280 35.269 1.276 1.00 0.00 C ATOM 830 OG SER A 52 -18.422 35.492 0.495 1.00 0.00 O ATOM 0 H SER A 52 -15.218 35.478 2.783 1.00 0.00 H new ATOM 0 HA SER A 52 -16.283 36.992 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.658 34.511 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.577 34.873 2.247 1.00 0.00 H new ATOM 0 HG SER A 52 -18.916 34.652 0.390 1.00 0.00 H new ATOM 836 N ASP A 53 -18.551 37.613 2.086 1.00 0.00 N ATOM 837 CA ASP A 53 -19.401 38.563 2.793 1.00 0.00 C ATOM 838 C ASP A 53 -19.271 38.401 4.303 1.00 0.00 C ATOM 839 O ASP A 53 -19.149 39.379 5.034 1.00 0.00 O ATOM 840 CB ASP A 53 -20.862 38.393 2.370 1.00 0.00 C ATOM 841 CG ASP A 53 -21.173 38.896 0.967 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.347 39.574 0.403 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.158 38.472 0.410 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.044 37.028 1.411 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.070 39.567 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.125 37.337 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.497 38.921 3.081 1.00 0.00 H new ATOM 848 N HIS A 54 -19.305 37.154 4.763 1.00 0.00 N ATOM 849 CA HIS A 54 -19.192 36.858 6.185 1.00 0.00 C ATOM 850 C HIS A 54 -18.267 35.676 6.433 1.00 0.00 C ATOM 851 O HIS A 54 -17.973 35.335 7.580 1.00 0.00 O ATOM 852 CB HIS A 54 -20.571 36.577 6.790 1.00 0.00 C ATOM 853 CG HIS A 54 -21.507 37.745 6.723 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.389 38.841 7.552 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.575 37.987 5.928 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.345 39.708 7.267 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.078 39.213 6.286 1.00 0.00 N ATOM 0 H HIS A 54 -19.410 36.331 4.169 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.764 37.735 6.669 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.021 35.732 6.269 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.448 36.281 7.832 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.960 37.337 5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.500 40.660 7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.887 39.668 5.863 1.00 0.00 H new ATOM 865 N TYR A 55 -17.809 35.054 5.354 1.00 0.00 N ATOM 866 CA TYR A 55 -17.042 33.816 5.450 1.00 0.00 C ATOM 867 C TYR A 55 -15.572 34.057 5.133 1.00 0.00 C ATOM 868 O TYR A 55 -15.171 34.095 3.969 1.00 0.00 O ATOM 869 CB TYR A 55 -17.613 32.755 4.507 1.00 0.00 C ATOM 870 CG TYR A 55 -18.995 32.274 4.894 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.484 32.467 6.178 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.807 31.627 3.973 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.743 32.029 6.536 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.068 31.186 4.319 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.534 31.388 5.603 1.00 0.00 C ATOM 876 OH TYR A 55 -22.790 30.952 5.952 1.00 0.00 O ATOM 0 H TYR A 55 -17.955 35.386 4.401 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.119 33.455 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.650 33.162 3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.935 31.902 4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.869 32.969 6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.446 31.466 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.108 32.187 7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.687 30.685 3.589 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.343 31.719 6.208 1.00 0.00 H new ATOM 886 N THR A 56 -14.765 34.218 6.178 1.00 0.00 N ATOM 887 CA THR A 56 -13.334 34.450 6.014 1.00 0.00 C ATOM 888 C THR A 56 -12.542 33.162 6.197 1.00 0.00 C ATOM 889 O THR A 56 -12.608 32.524 7.248 1.00 0.00 O ATOM 890 CB THR A 56 -12.816 35.505 7.009 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.490 36.750 6.785 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.318 35.706 6.840 1.00 0.00 C ATOM 0 H THR A 56 -15.079 34.192 7.148 1.00 0.00 H new ATOM 0 HA THR A 56 -13.190 34.819 4.999 1.00 0.00 H new ATOM 0 HB THR A 56 -13.014 35.155 8.022 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.160 37.419 7.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.969 36.455 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.802 34.764 7.023 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.108 36.044 5.825 1.00 0.00 H new ATOM 900 N ILE A 57 -11.795 32.781 5.167 1.00 0.00 N ATOM 901 CA ILE A 57 -10.962 31.584 5.224 1.00 0.00 C ATOM 902 C ILE A 57 -9.489 31.943 5.340 1.00 0.00 C ATOM 903 O ILE A 57 -8.981 32.775 4.587 1.00 0.00 O ATOM 904 CB ILE A 57 -11.166 30.693 3.984 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.608 30.181 3.927 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.185 29.532 3.997 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.950 29.465 2.640 1.00 0.00 C ATOM 0 H ILE A 57 -11.749 33.284 4.281 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.269 31.031 6.112 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.978 31.290 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.777 29.504 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.288 31.023 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.343 28.912 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.165 29.917 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.343 28.933 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.987 29.132 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.814 30.144 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.295 28.602 2.519 1.00 0.00 H new ATOM 919 N GLN A 58 -8.802 31.312 6.287 1.00 0.00 N ATOM 920 CA GLN A 58 -7.358 31.454 6.410 1.00 0.00 C ATOM 921 C GLN A 58 -6.678 30.093 6.508 1.00 0.00 C ATOM 922 O GLN A 58 -6.803 29.396 7.515 1.00 0.00 O ATOM 923 CB GLN A 58 -7.005 32.298 7.638 1.00 0.00 C ATOM 924 CG GLN A 58 -5.513 32.455 7.878 1.00 0.00 C ATOM 925 CD GLN A 58 -4.836 33.272 6.794 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.286 34.370 6.452 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.751 32.739 6.243 1.00 0.00 N ATOM 0 H GLN A 58 -9.225 30.696 6.982 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.997 31.958 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.449 33.287 7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.458 31.844 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.351 32.933 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.050 31.469 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.414 31.829 6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.255 33.240 5.506 1.00 0.00 H new ATOM 936 N ARG A 59 -5.961 29.719 5.453 1.00 0.00 N ATOM 937 CA ARG A 59 -5.307 28.420 5.393 1.00 0.00 C ATOM 938 C ARG A 59 -3.814 28.540 5.667 1.00 0.00 C ATOM 939 O ARG A 59 -3.067 29.100 4.860 1.00 0.00 O ATOM 940 CB ARG A 59 -5.575 27.703 4.077 1.00 0.00 C ATOM 941 CG ARG A 59 -7.045 27.546 3.723 1.00 0.00 C ATOM 942 CD ARG A 59 -7.296 26.770 2.482 1.00 0.00 C ATOM 943 NE ARG A 59 -6.853 27.425 1.261 1.00 0.00 N ATOM 944 CZ ARG A 59 -6.948 26.890 0.028 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.433 25.682 -0.150 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -6.518 27.605 -0.997 1.00 0.00 N ATOM 0 H ARG A 59 -5.819 30.300 4.627 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.743 27.807 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.079 28.249 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.118 26.714 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.556 27.057 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.488 28.536 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.795 25.805 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.364 26.569 2.404 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.442 28.355 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.745 25.134 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.498 25.292 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.128 28.535 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.577 27.227 -1.943 1.00 0.00 H new ATOM 960 N ASP A 60 -3.381 28.015 6.808 1.00 0.00 N ATOM 961 CA ASP A 60 -1.961 27.959 7.135 1.00 0.00 C ATOM 962 C ASP A 60 -1.306 26.715 6.539 1.00 0.00 C ATOM 963 O ASP A 60 -1.819 25.606 6.678 1.00 0.00 O ATOM 964 CB ASP A 60 -1.759 27.986 8.652 1.00 0.00 C ATOM 965 CG ASP A 60 -0.306 28.108 9.091 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.558 28.005 8.252 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.076 28.456 10.224 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.994 27.622 7.522 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.483 28.837 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.322 28.822 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.180 27.075 9.079 1.00 0.00 H new ATOM 972 N LEU A 61 -0.174 26.912 5.874 1.00 0.00 N ATOM 973 CA LEU A 61 0.522 25.823 5.204 1.00 0.00 C ATOM 974 C LEU A 61 1.041 24.800 6.204 1.00 0.00 C ATOM 975 O LEU A 61 1.392 23.677 5.836 1.00 0.00 O ATOM 976 CB LEU A 61 1.677 26.373 4.358 1.00 0.00 C ATOM 977 CG LEU A 61 1.256 27.240 3.164 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.487 27.818 2.478 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.439 26.404 2.191 1.00 0.00 C ATOM 0 H LEU A 61 0.282 27.820 5.785 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.190 25.321 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.330 26.962 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.267 25.534 3.988 1.00 0.00 H new ATOM 0 HG LEU A 61 0.641 28.069 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.178 28.432 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.044 28.431 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.121 27.005 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.140 27.021 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.040 25.567 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.450 26.025 2.695 1.00 0.00 H new ATOM 991 N ASP A 62 1.089 25.191 7.473 1.00 0.00 N ATOM 992 CA ASP A 62 1.512 24.293 8.539 1.00 0.00 C ATOM 993 C ASP A 62 0.572 23.098 8.655 1.00 0.00 C ATOM 994 O ASP A 62 0.978 22.013 9.076 1.00 0.00 O ATOM 995 CB ASP A 62 1.581 25.039 9.874 1.00 0.00 C ATOM 996 CG ASP A 62 2.365 24.314 10.960 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.531 24.068 10.759 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.841 24.154 12.036 1.00 0.00 O1- ATOM 0 H ASP A 62 0.839 26.128 7.788 1.00 0.00 H new ATOM 0 HA ASP A 62 2.507 23.924 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.034 26.016 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.566 25.214 10.231 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.685 23.302 8.279 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.660 22.217 8.246 1.00 0.00 C ATOM 1005 C GLY A 63 -2.938 22.605 8.978 1.00 0.00 C ATOM 1006 O GLY A 63 -3.886 21.822 9.050 1.00 0.00 O ATOM 0 H GLY A 63 -1.054 24.209 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.892 21.964 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.232 21.325 8.704 1.00 0.00 H new ATOM 1010 N THR A 64 -2.961 23.818 9.518 1.00 0.00 N ATOM 1011 CA THR A 64 -4.137 24.325 10.220 1.00 0.00 C ATOM 1012 C THR A 64 -4.865 25.375 9.391 1.00 0.00 C ATOM 1013 O THR A 64 -4.282 26.390 9.006 1.00 0.00 O ATOM 1014 CB THR A 64 -3.761 24.935 11.582 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.160 23.930 12.409 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.996 25.487 12.279 1.00 0.00 C ATOM 0 H THR A 64 -2.178 24.471 9.484 1.00 0.00 H new ATOM 0 HA THR A 64 -4.797 23.472 10.382 1.00 0.00 H new ATOM 0 HB THR A 64 -3.056 25.749 11.416 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.641 24.359 13.121 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.711 25.914 13.240 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.449 26.260 11.658 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.714 24.683 12.438 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.138 25.123 9.114 1.00 0.00 N ATOM 1025 CA CYS A 65 -6.961 26.070 8.373 1.00 0.00 C ATOM 1026 C CYS A 65 -8.179 26.492 9.187 1.00 0.00 C ATOM 1027 O CYS A 65 -8.812 25.667 9.850 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.386 25.262 7.146 1.00 0.00 C ATOM 1029 SG CYS A 65 -6.024 24.790 6.052 1.00 0.00 S ATOM 0 H CYS A 65 -6.623 24.270 9.392 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.437 26.993 8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.897 24.359 7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.109 25.845 6.575 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.412 23.753 6.543 1.00 0.00 H new ATOM 1035 N SER A 66 -8.507 27.777 9.130 1.00 0.00 N ATOM 1036 CA SER A 66 -9.561 28.337 9.965 1.00 0.00 C ATOM 1037 C SER A 66 -10.675 28.939 9.117 1.00 0.00 C ATOM 1038 O SER A 66 -10.428 29.473 8.036 1.00 0.00 O ATOM 1039 CB SER A 66 -8.986 29.381 10.901 1.00 0.00 C ATOM 1040 OG SER A 66 -7.994 28.851 11.736 1.00 0.00 O ATOM 0 H SER A 66 -8.056 28.452 8.512 1.00 0.00 H new ATOM 0 HA SER A 66 -9.991 27.529 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.567 30.200 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.786 29.801 11.511 1.00 0.00 H new ATOM 0 HG SER A 66 -7.649 29.556 12.322 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.903 28.851 9.619 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.039 29.500 8.976 1.00 0.00 C ATOM 1048 C LEU A 67 -13.824 30.345 9.970 1.00 0.00 C ATOM 1049 O LEU A 67 -14.336 29.835 10.964 1.00 0.00 O ATOM 1050 CB LEU A 67 -13.953 28.451 8.329 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.261 28.997 7.743 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.959 30.014 6.651 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.092 27.847 7.195 1.00 0.00 C ATOM 0 H LEU A 67 -12.136 28.337 10.469 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.656 30.163 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.399 27.950 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.196 27.694 9.075 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.830 29.497 8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.894 30.396 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.383 30.839 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.383 29.536 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.021 28.236 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.532 27.333 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.319 27.147 7.999 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.914 31.645 9.695 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.597 32.569 10.588 1.00 0.00 C ATOM 1067 C HIS A 68 -15.892 33.083 9.970 1.00 0.00 C ATOM 1068 O HIS A 68 -15.903 33.560 8.835 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.684 33.746 10.946 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.359 34.805 11.761 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.667 34.634 13.094 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.786 36.047 11.432 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.254 35.727 13.550 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.338 36.598 12.562 1.00 0.00 N ATOM 0 H HIS A 68 -13.521 32.079 8.860 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.847 32.024 11.498 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.821 33.371 11.497 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.305 34.193 10.027 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.707 36.516 10.462 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.605 35.881 14.560 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.747 37.530 12.627 1.00 0.00 H new ATOM 1082 N THR A 69 -16.981 32.981 10.722 1.00 0.00 N ATOM 1083 CA THR A 69 -18.246 33.592 10.328 1.00 0.00 C ATOM 1084 C THR A 69 -18.477 34.904 11.066 1.00 0.00 C ATOM 1085 O THR A 69 -18.598 34.926 12.292 1.00 0.00 O ATOM 1086 CB THR A 69 -19.435 32.650 10.592 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.276 31.448 9.827 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.744 33.322 10.206 1.00 0.00 C ATOM 0 H THR A 69 -17.014 32.480 11.610 1.00 0.00 H new ATOM 0 HA THR A 69 -18.180 33.787 9.258 1.00 0.00 H new ATOM 0 HB THR A 69 -19.460 32.411 11.655 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.677 31.569 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.573 32.641 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.875 34.230 10.795 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.723 33.577 9.146 1.00 0.00 H new ATOM 1096 N THR A 70 -18.534 35.997 10.315 1.00 0.00 N ATOM 1097 CA THR A 70 -18.653 37.327 10.902 1.00 0.00 C ATOM 1098 C THR A 70 -19.969 37.486 11.651 1.00 0.00 C ATOM 1099 O THR A 70 -20.002 38.007 12.766 1.00 0.00 O ATOM 1100 CB THR A 70 -18.549 38.429 9.831 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.255 38.379 9.215 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.757 39.800 10.455 1.00 0.00 C ATOM 0 H THR A 70 -18.500 35.989 9.296 1.00 0.00 H new ATOM 0 HA THR A 70 -17.825 37.433 11.603 1.00 0.00 H new ATOM 0 HB THR A 70 -19.323 38.261 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.190 39.079 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.680 40.566 9.684 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.745 39.845 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.995 39.973 11.215 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.052 37.026 11.034 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.384 37.176 11.612 1.00 0.00 C ATOM 1112 C ALA A 71 -23.245 35.951 11.333 1.00 0.00 C ATOM 1113 O ALA A 71 -23.970 35.902 10.340 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.056 38.432 11.075 1.00 0.00 C ATOM 0 H ALA A 71 -21.034 36.546 10.134 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.275 37.271 12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.048 38.530 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.456 39.305 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.145 38.362 9.991 1.00 0.00 H new ATOM 1120 N SER A 72 -23.162 34.962 12.218 1.00 0.00 N ATOM 1121 CA SER A 72 -23.875 33.705 12.030 1.00 0.00 C ATOM 1122 C SER A 72 -25.360 33.864 12.331 1.00 0.00 C ATOM 1123 O SER A 72 -25.755 34.017 13.485 1.00 0.00 O ATOM 1124 CB SER A 72 -23.270 32.626 12.907 1.00 0.00 C ATOM 1125 OG SER A 72 -23.933 31.400 12.765 1.00 0.00 O ATOM 0 H SER A 72 -22.607 35.008 13.073 1.00 0.00 H new ATOM 0 HA SER A 72 -23.775 33.410 10.985 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.218 32.500 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.311 32.941 13.950 1.00 0.00 H new ATOM 0 HG SER A 72 -23.512 30.882 12.047 1.00 0.00 H new ATOM 1131 N THR A 73 -26.178 33.825 11.283 1.00 0.00 N ATOM 1132 CA THR A 73 -27.621 33.943 11.435 1.00 0.00 C ATOM 1133 C THR A 73 -28.316 32.618 11.141 1.00 0.00 C ATOM 1134 O THR A 73 -27.665 31.612 10.866 1.00 0.00 O ATOM 1135 CB THR A 73 -28.199 35.031 10.510 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.020 34.642 9.142 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.501 36.360 10.751 1.00 0.00 C ATOM 0 H THR A 73 -25.864 33.712 10.319 1.00 0.00 H new ATOM 0 HA THR A 73 -27.806 34.225 12.472 1.00 0.00 H new ATOM 0 HB THR A 73 -29.261 35.146 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.072 34.459 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.922 37.117 10.089 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.645 36.664 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.435 36.253 10.549 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.645 32.628 11.205 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.427 31.415 10.998 1.00 0.00 C ATOM 1147 C LEU A 74 -30.238 30.870 9.588 1.00 0.00 C ATOM 1148 O LEU A 74 -30.396 29.673 9.350 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.911 31.689 11.270 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.256 32.029 12.726 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.725 32.415 12.838 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.943 30.835 13.615 1.00 0.00 C ATOM 0 H LEU A 74 -30.201 33.461 11.398 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.072 30.660 11.699 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.234 32.514 10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.486 30.813 10.972 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.655 32.877 13.054 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.960 32.655 13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.921 33.285 12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.346 31.582 12.508 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.188 31.077 14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.534 29.977 13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.883 30.594 13.541 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.899 31.756 8.656 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.597 31.352 7.292 1.00 0.00 C ATOM 1166 C ASP A 75 -28.184 30.788 7.186 1.00 0.00 C ATOM 1167 O ASP A 75 -27.850 30.107 6.214 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.766 32.534 6.334 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.213 32.933 6.077 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.088 32.169 6.411 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.439 34.057 5.695 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.827 32.760 8.824 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.299 30.567 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.231 33.393 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.296 32.285 5.383 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.362 31.073 8.187 1.00 0.00 N ATOM 1177 CA ASP A 76 -25.997 30.561 8.229 1.00 0.00 C ATOM 1178 C ASP A 76 -25.912 29.279 9.045 1.00 0.00 C ATOM 1179 O ASP A 76 -24.909 28.567 9.000 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.048 31.618 8.804 1.00 0.00 C ATOM 1181 CG ASP A 76 -24.981 32.907 7.999 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.750 32.834 6.814 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.316 33.937 8.536 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.617 31.657 8.983 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.695 30.331 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.361 31.855 9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.047 31.192 8.870 1.00 0.00 H new ATOM 1188 N ASP A 77 -26.970 28.990 9.797 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.082 27.721 10.503 1.00 0.00 C ATOM 1190 C ASP A 77 -27.010 26.544 9.538 1.00 0.00 C ATOM 1191 O ASP A 77 -27.763 26.477 8.565 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.389 27.665 11.301 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.558 26.409 12.145 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.892 25.438 11.869 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.230 26.477 13.145 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.762 29.619 9.932 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.241 27.649 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.439 28.536 11.954 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.227 27.738 10.608 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.099 25.617 9.810 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.901 24.456 8.948 1.00 0.00 C ATOM 1202 C GLY A 78 -24.547 23.806 9.200 1.00 0.00 C ATOM 1203 O GLY A 78 -23.903 24.066 10.216 1.00 0.00 O ATOM 0 H GLY A 78 -25.484 25.646 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.694 23.730 9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.973 24.759 7.903 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.118 22.962 8.266 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.890 22.197 8.434 1.00 0.00 C ATOM 1209 C ASN A 79 -21.778 22.745 7.549 1.00 0.00 C ATOM 1210 O ASN A 79 -21.829 22.626 6.324 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.111 20.724 8.150 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.148 20.085 9.033 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.009 20.049 10.261 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.145 19.513 8.408 1.00 0.00 N ATOM 0 H ASN A 79 -24.604 22.792 7.385 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.585 22.299 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.411 20.605 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.166 20.194 8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.855 19.007 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.212 19.573 7.392 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.771 23.344 8.178 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.617 23.862 7.452 1.00 0.00 C ATOM 1223 C TYR A 80 -18.586 22.770 7.203 1.00 0.00 C ATOM 1224 O TYR A 80 -17.506 22.775 7.794 1.00 0.00 O ATOM 1225 CB TYR A 80 -18.977 25.021 8.223 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.861 26.242 8.335 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -20.905 26.286 9.248 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.643 27.351 7.531 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.714 27.399 9.354 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.448 28.473 7.627 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.483 28.491 8.542 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.285 29.605 8.645 1.00 0.00 O ATOM 0 H TYR A 80 -20.731 23.482 9.188 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.967 24.226 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.717 24.679 9.225 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.046 25.302 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.088 25.434 9.887 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.832 27.339 6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.524 27.416 10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.268 29.328 6.992 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.223 29.328 8.706 1.00 0.00 H new ATOM 1242 N THR A 81 -18.927 21.829 6.327 1.00 0.00 N ATOM 1243 CA THR A 81 -18.102 20.646 6.111 1.00 0.00 C ATOM 1244 C THR A 81 -16.749 21.018 5.518 1.00 0.00 C ATOM 1245 O THR A 81 -16.670 21.815 4.581 1.00 0.00 O ATOM 1246 CB THR A 81 -18.796 19.634 5.181 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.048 19.235 5.754 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.921 18.406 4.979 1.00 0.00 C ATOM 0 H THR A 81 -19.771 21.864 5.755 1.00 0.00 H new ATOM 0 HA THR A 81 -17.954 20.186 7.088 1.00 0.00 H new ATOM 0 HB THR A 81 -18.965 20.109 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.489 18.592 5.160 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.428 17.702 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.973 18.704 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.734 17.930 5.942 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.687 20.439 6.066 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.342 20.670 5.558 1.00 0.00 C ATOM 1258 C ILE A 82 -13.791 19.424 4.874 1.00 0.00 C ATOM 1259 O ILE A 82 -13.981 18.306 5.349 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.380 21.098 6.682 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.926 20.968 6.218 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.620 20.266 7.932 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.917 21.459 7.230 1.00 0.00 C ATOM 0 H ILE A 82 -15.733 19.805 6.864 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.414 21.477 4.829 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.572 22.143 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.719 19.922 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.799 21.527 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.932 20.581 8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.646 20.407 8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.454 19.213 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.911 21.335 6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.096 22.513 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.015 20.884 8.150 1.00 0.00 H new ATOM 1275 N MET A 83 -13.110 19.626 3.749 1.00 0.00 N ATOM 1276 CA MET A 83 -12.602 18.517 2.951 1.00 0.00 C ATOM 1277 C MET A 83 -11.090 18.599 2.793 1.00 0.00 C ATOM 1278 O MET A 83 -10.564 19.575 2.256 1.00 0.00 O ATOM 1279 CB MET A 83 -13.276 18.501 1.580 1.00 0.00 C ATOM 1280 CG MET A 83 -12.779 17.407 0.647 1.00 0.00 C ATOM 1281 SD MET A 83 -13.731 17.312 -0.882 1.00 0.00 S ATOM 1282 CE MET A 83 -13.222 18.825 -1.692 1.00 0.00 C ATOM 0 H MET A 83 -12.898 20.549 3.370 1.00 0.00 H new ATOM 0 HA MET A 83 -12.837 17.590 3.474 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.351 18.383 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.121 19.468 1.101 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.731 17.588 0.407 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.828 16.447 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.628 18.851 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.594 19.682 -1.130 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.134 18.865 -1.737 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.393 17.568 3.264 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.944 17.501 3.130 1.00 0.00 C ATOM 1294 C ALA A 84 -8.541 16.807 1.833 1.00 0.00 C ATOM 1295 O ALA A 84 -8.053 15.677 1.848 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.335 16.787 4.328 1.00 0.00 C ATOM 0 H ALA A 84 -10.810 16.769 3.741 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.560 18.521 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.252 16.744 4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.583 17.330 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.733 15.774 4.389 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.751 17.488 0.713 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.480 16.913 -0.598 1.00 0.00 C ATOM 1304 C ALA A 85 -7.008 17.054 -0.968 1.00 0.00 C ATOM 1305 O ALA A 85 -6.487 18.166 -1.059 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.364 17.560 -1.654 1.00 0.00 C ATOM 0 H ALA A 85 -9.109 18.443 0.687 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.712 15.849 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.149 17.120 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.412 17.393 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.165 18.631 -1.689 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.347 15.922 -1.183 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.968 15.919 -1.659 1.00 0.00 C ATOM 1314 C ASN A 86 -4.714 14.745 -2.594 1.00 0.00 C ATOM 1315 O ASN A 86 -5.610 13.949 -2.866 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.982 15.894 -0.506 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.839 14.545 0.141 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.524 13.584 -0.225 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.012 14.488 1.154 1.00 0.00 N ATOM 0 H ASN A 86 -6.744 14.994 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.817 16.844 -2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.006 16.218 -0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.299 16.616 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.911 13.621 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.469 15.311 1.416 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.480 14.642 -3.083 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.134 13.643 -4.084 1.00 0.00 C ATOM 1328 C PRO A 87 -3.350 12.231 -3.556 1.00 0.00 C ATOM 1329 O PRO A 87 -3.443 11.275 -4.325 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.661 13.923 -4.396 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.478 15.365 -4.066 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.362 15.616 -2.873 1.00 0.00 C ATOM 0 HA PRO A 87 -3.759 13.705 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.002 13.292 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.432 13.723 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.436 15.587 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.761 16.000 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.838 15.435 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.721 16.645 -2.844 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.429 12.109 -2.234 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.518 10.801 -1.590 1.00 0.00 C ATOM 1342 C GLN A 88 -4.952 10.475 -1.201 1.00 0.00 C ATOM 1343 O GLN A 88 -5.207 9.502 -0.491 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.624 10.752 -0.348 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.160 11.054 -0.623 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.565 10.130 -1.668 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.673 8.905 -1.568 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.071 10.713 -2.678 1.00 0.00 N ATOM 0 H GLN A 88 -3.433 12.898 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.176 10.056 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.999 11.466 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.701 9.763 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.062 12.087 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.593 10.963 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.136 11.730 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.494 10.144 -3.411 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.890 11.291 -1.673 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.304 11.072 -1.404 1.00 0.00 C ATOM 1359 C GLY A 89 -7.926 12.273 -0.703 1.00 0.00 C ATOM 1360 O GLY A 89 -7.316 13.339 -0.623 1.00 0.00 O ATOM 0 H GLY A 89 -5.693 12.112 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.829 10.882 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.425 10.183 -0.784 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.143 12.092 -0.197 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.866 13.176 0.456 1.00 0.00 C ATOM 1366 C ARG A 90 -10.704 12.657 1.619 1.00 0.00 C ATOM 1367 O ARG A 90 -11.212 11.534 1.577 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.710 13.975 -0.526 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.822 13.190 -1.201 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.612 13.971 -2.187 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.728 13.246 -2.775 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.571 13.755 -3.694 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.454 14.998 -4.106 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.536 12.978 -4.155 1.00 0.00 N ATOM 0 H ARG A 90 -9.647 11.206 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.121 13.861 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.151 14.821 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.056 14.385 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.387 12.326 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.496 12.807 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.994 14.868 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.948 14.301 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.883 12.285 -2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.716 15.593 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.101 15.367 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.627 12.021 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.190 13.336 -4.852 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.844 13.477 2.653 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.676 13.129 3.798 1.00 0.00 C ATOM 1390 C VAL A 91 -12.551 14.305 4.222 1.00 0.00 C ATOM 1391 O VAL A 91 -12.083 15.439 4.299 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.824 12.676 4.999 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.716 12.266 6.161 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -9.910 11.528 4.600 1.00 0.00 C ATOM 0 H VAL A 91 -10.392 14.389 2.722 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.312 12.302 3.484 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.206 13.515 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.097 11.949 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.332 13.113 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.359 11.442 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.315 11.220 5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.512 10.687 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.247 11.853 3.798 1.00 0.00 H new ATOM 1404 N SER A 92 -13.820 14.024 4.498 1.00 0.00 N ATOM 1405 CA SER A 92 -14.762 15.057 4.905 1.00 0.00 C ATOM 1406 C SER A 92 -15.015 15.012 6.406 1.00 0.00 C ATOM 1407 O SER A 92 -15.107 13.936 6.999 1.00 0.00 O ATOM 1408 CB SER A 92 -16.065 14.904 4.145 1.00 0.00 C ATOM 1409 OG SER A 92 -15.906 15.147 2.774 1.00 0.00 O ATOM 0 H SER A 92 -14.219 13.087 4.447 1.00 0.00 H new ATOM 0 HA SER A 92 -14.325 16.027 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.454 13.896 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.805 15.593 4.552 1.00 0.00 H new ATOM 0 HG SER A 92 -16.768 15.037 2.320 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.129 16.185 7.019 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.506 16.284 8.423 1.00 0.00 C ATOM 1417 C CYS A 93 -16.538 17.381 8.644 1.00 0.00 C ATOM 1418 O CYS A 93 -16.407 18.487 8.114 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.184 16.645 9.102 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.300 16.881 10.891 1.00 0.00 S ATOM 0 H CYS A 93 -14.965 17.083 6.563 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.963 15.372 8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.459 15.857 8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.797 17.559 8.652 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.128 17.180 11.366 1.00 0.00 H new ATOM 1426 N THR A 94 -17.566 17.073 9.427 1.00 0.00 N ATOM 1427 CA THR A 94 -18.717 17.958 9.563 1.00 0.00 C ATOM 1428 C THR A 94 -18.404 19.132 10.480 1.00 0.00 C ATOM 1429 O THR A 94 -17.973 18.945 11.619 1.00 0.00 O ATOM 1430 CB THR A 94 -19.946 17.207 10.108 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.284 16.131 9.223 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.134 18.149 10.233 1.00 0.00 C ATOM 0 H THR A 94 -17.626 16.216 9.978 1.00 0.00 H new ATOM 0 HA THR A 94 -18.945 18.332 8.565 1.00 0.00 H new ATOM 0 HB THR A 94 -19.703 16.812 11.094 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.065 15.653 9.572 1.00 0.00 H new ATOM 0 HG21 THR A 94 -21.994 17.601 10.620 1.00 0.00 H new ATOM 0 HG22 THR A 94 -20.884 18.961 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.377 18.561 9.253 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.617 20.344 9.978 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.441 21.549 10.781 1.00 0.00 C ATOM 1442 C GLY A 95 -19.780 22.079 11.278 1.00 0.00 C ATOM 1443 O GLY A 95 -20.145 23.221 10.997 1.00 0.00 O ATOM 0 H GLY A 95 -18.912 20.518 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.795 21.332 11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -17.941 22.315 10.188 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.504 21.248 12.018 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.857 21.583 12.444 1.00 0.00 C ATOM 1449 C ARG A 96 -21.880 22.871 13.256 1.00 0.00 C ATOM 1450 O ARG A 96 -21.176 22.994 14.258 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.521 20.439 13.196 1.00 0.00 C ATOM 1452 CG ARG A 96 -23.969 20.685 13.587 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.626 19.536 14.262 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.023 19.753 14.599 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.785 18.889 15.298 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.302 17.735 15.702 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.039 19.222 15.546 1.00 0.00 N ATOM 0 H ARG A 96 -20.176 20.336 12.336 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.443 21.750 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.474 19.542 12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.946 20.235 14.099 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.012 21.552 14.247 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.537 20.938 12.691 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.553 18.661 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.077 19.305 15.175 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.457 20.621 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.337 17.483 15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.892 17.092 16.230 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.406 20.113 15.211 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.640 18.588 16.073 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.691 23.828 12.816 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.917 25.048 13.584 1.00 0.00 C ATOM 1473 C LEU A 97 -24.404 25.363 13.687 1.00 0.00 C ATOM 1474 O LEU A 97 -25.057 25.659 12.683 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.164 26.223 12.947 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.453 27.596 13.567 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -22.007 27.615 15.023 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.737 28.675 12.770 1.00 0.00 C ATOM 0 H LEU A 97 -23.202 23.783 11.934 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.536 24.890 14.593 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.094 26.029 13.017 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.413 26.261 11.886 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.525 27.791 13.536 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.216 28.594 15.455 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.548 26.850 15.579 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.937 27.415 15.078 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.943 29.650 13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.663 28.488 12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.091 28.661 11.739 1.00 0.00 H new ATOM 1490 N MET A 98 -24.935 25.297 14.901 1.00 0.00 N ATOM 1491 CA MET A 98 -26.344 25.584 15.140 1.00 0.00 C ATOM 1492 C MET A 98 -26.535 26.996 15.680 1.00 0.00 C ATOM 1493 O MET A 98 -25.752 27.467 16.507 1.00 0.00 O ATOM 1494 CB MET A 98 -26.933 24.563 16.110 1.00 0.00 C ATOM 1495 CG MET A 98 -26.948 23.133 15.588 1.00 0.00 C ATOM 1496 SD MET A 98 -28.007 22.932 14.141 1.00 0.00 S ATOM 1497 CE MET A 98 -29.622 23.203 14.864 1.00 0.00 C ATOM 0 H MET A 98 -24.409 25.046 15.738 1.00 0.00 H new ATOM 0 HA MET A 98 -26.869 25.514 14.187 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.363 24.592 17.039 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.954 24.858 16.353 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.932 22.832 15.334 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.290 22.465 16.379 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.390 22.808 14.198 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.680 22.695 15.826 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.781 24.272 15.008 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.579 27.671 15.208 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.828 29.058 15.577 1.00 0.00 C ATOM 1509 C VAL A 99 -29.128 29.196 16.357 1.00 0.00 C ATOM 1510 O VAL A 99 -30.192 28.790 15.889 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.884 29.971 14.338 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.170 31.408 14.747 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.581 29.890 13.557 1.00 0.00 C ATOM 0 H VAL A 99 -28.268 27.277 14.567 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.996 29.369 16.208 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.694 29.628 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.206 32.039 13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.128 31.455 15.265 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.381 31.761 15.411 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.638 30.541 12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.755 30.208 14.193 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.415 28.863 13.232 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.039 29.771 17.552 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.218 30.055 18.357 1.00 0.00 C ATOM 1525 C GLN A 100 -30.876 31.358 17.927 1.00 0.00 C ATOM 1526 O GLN A 100 -30.262 32.424 17.970 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.850 30.126 19.841 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.941 30.704 20.727 1.00 0.00 C ATOM 1529 CD GLN A 100 -32.176 29.825 20.770 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -32.088 28.618 21.012 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -33.337 30.424 20.531 1.00 0.00 N ATOM 0 H GLN A 100 -28.158 30.050 17.984 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.928 29.242 18.203 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.606 29.123 20.192 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.950 30.730 19.952 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.554 30.833 21.738 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.215 31.694 20.362 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.364 31.425 20.335 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -34.202 29.883 20.543 1.00 0.00 H new ATOM 1540 N ALA A 101 -32.138 31.270 17.514 1.00 0.00 N ATOM 1541 CA ALA A 101 -32.893 32.447 17.097 1.00 0.00 C ATOM 1542 C ALA A 101 -33.002 33.459 18.231 1.00 0.00 C ATOM 1543 O ALA A 101 -33.301 33.103 19.370 1.00 0.00 O ATOM 1544 CB ALA A 101 -34.277 32.040 16.610 1.00 0.00 C ATOM 0 H ALA A 101 -32.659 30.395 17.459 1.00 0.00 H new ATOM 0 HA ALA A 101 -32.357 32.921 16.275 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -34.830 32.927 16.302 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -34.180 31.361 15.763 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -34.814 31.540 17.416 1.00 0.00 H new ATOM 1550 N VAL A 102 -32.753 34.726 17.910 1.00 0.00 N ATOM 1551 CA VAL A 102 -32.850 35.798 18.892 1.00 0.00 C ATOM 1552 C VAL A 102 -33.914 36.813 18.495 1.00 0.00 C ATOM 1553 O VAL A 102 -33.755 37.542 17.513 1.00 0.00 O ATOM 1554 CB VAL A 102 -31.503 36.523 19.072 1.00 0.00 C ATOM 1555 CG1 VAL A 102 -31.635 37.647 20.088 1.00 0.00 C ATOM 1556 CG2 VAL A 102 -30.423 35.542 19.503 1.00 0.00 C ATOM 0 H VAL A 102 -32.482 35.034 16.976 1.00 0.00 H new ATOM 0 HA VAL A 102 -33.130 35.334 19.838 1.00 0.00 H new ATOM 0 HB VAL A 102 -31.214 36.955 18.114 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -30.674 38.148 20.203 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -32.380 38.364 19.742 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -31.946 37.235 21.048 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -29.478 36.072 19.625 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -30.706 35.082 20.450 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -30.310 34.769 18.743 1.00 0.00 H new ATOM 1566 N ASN A 103 -34.999 36.857 19.259 1.00 0.00 N ATOM 1567 CA ASN A 103 -36.139 37.703 18.923 1.00 0.00 C ATOM 1568 C ASN A 103 -35.819 39.172 19.160 1.00 0.00 C ATOM 1569 O ASN A 103 -36.503 40.055 18.640 1.00 0.00 O ATOM 1570 CB ASN A 103 -37.378 37.303 19.704 1.00 0.00 C ATOM 1571 CG ASN A 103 -37.985 36.004 19.252 1.00 0.00 C ATOM 1572 OD1 ASN A 103 -37.763 35.551 18.124 1.00 0.00 O ATOM 1573 ND2 ASN A 103 -38.814 35.444 20.097 1.00 0.00 N ATOM 0 H ASN A 103 -35.114 36.316 20.116 1.00 0.00 H new ATOM 0 HA ASN A 103 -36.346 37.560 17.862 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -37.121 37.226 20.760 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -38.124 38.093 19.614 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -39.312 34.593 19.835 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -38.962 35.859 21.017 1.00 0.00 H new ATOM 1580 N GLN A 104 -34.778 39.428 19.940 1.00 0.00 N ATOM 1581 CA GLN A 104 -34.371 40.793 20.251 1.00 0.00 C ATOM 1582 C GLN A 104 -33.377 41.323 19.226 1.00 0.00 C ATOM 1583 O GLN A 104 -32.990 42.490 19.266 1.00 0.00 O ATOM 1584 CB GLN A 104 -33.755 40.862 21.650 1.00 0.00 C ATOM 1585 CG GLN A 104 -34.692 40.430 22.765 1.00 0.00 C ATOM 1586 CD GLN A 104 -35.942 41.286 22.834 1.00 0.00 C ATOM 1587 OE1 GLN A 104 -35.872 42.517 22.789 1.00 0.00 O ATOM 1588 NE2 GLN A 104 -37.096 40.638 22.949 1.00 0.00 N ATOM 0 H GLN A 104 -34.198 38.707 20.370 1.00 0.00 H new ATOM 0 HA GLN A 104 -35.264 41.418 20.219 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -32.865 40.233 21.674 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -33.428 41.884 21.841 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -34.976 39.389 22.614 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -34.166 40.482 23.718 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -37.107 39.619 22.982 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -37.971 41.160 23.004 1.00 0.00 H new ATOM 1597 N ARG A 105 -32.969 40.454 18.306 1.00 0.00 N ATOM 1598 CA ARG A 105 -32.034 40.838 17.253 1.00 0.00 C ATOM 1599 C ARG A 105 -32.689 41.783 16.252 1.00 0.00 C ATOM 1600 O ARG A 105 -33.561 41.378 15.482 1.00 0.00 O ATOM 1601 CB ARG A 105 -31.421 39.629 16.561 1.00 0.00 C ATOM 1602 CG ARG A 105 -30.444 39.960 15.444 1.00 0.00 C ATOM 1603 CD ARG A 105 -29.172 40.573 15.904 1.00 0.00 C ATOM 1604 NE ARG A 105 -28.317 39.682 16.672 1.00 0.00 N ATOM 1605 CZ ARG A 105 -27.268 40.082 17.417 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -26.917 41.348 17.468 1.00 0.00 N1+ ATOM 1607 NH2 ARG A 105 -26.584 39.163 18.077 1.00 0.00 N ATOM 0 H ARG A 105 -33.271 39.480 18.268 1.00 0.00 H new ATOM 0 HA ARG A 105 -31.215 41.375 17.731 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -30.906 39.023 17.307 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -32.224 39.016 16.152 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -30.215 39.046 14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -30.929 40.640 14.743 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -28.619 40.927 15.034 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -29.404 41.447 16.512 1.00 0.00 H new ATOM 0 HE ARG A 105 -28.526 38.684 16.645 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -27.442 42.044 16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -26.120 41.634 18.037 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -26.855 38.182 18.014 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -25.785 39.435 18.649 1.00 0.00 H new ATOM 1621 N GLY A 106 -32.264 43.042 16.268 1.00 0.00 N ATOM 1622 CA GLY A 106 -32.848 44.056 15.400 1.00 0.00 C ATOM 1623 C GLY A 106 -32.405 43.868 13.954 1.00 0.00 C ATOM 1624 O GLY A 106 -33.014 44.412 13.036 1.00 0.00 O ATOM 0 H GLY A 106 -31.517 43.384 16.873 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -33.935 44.006 15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -32.555 45.047 15.747 1.00 0.00 H new ATOM 1628 N ARG A 107 -31.341 43.094 13.764 1.00 0.00 N ATOM 1629 CA ARG A 107 -30.810 42.841 12.431 1.00 0.00 C ATOM 1630 C ARG A 107 -31.391 41.564 11.840 1.00 0.00 C ATOM 1631 O ARG A 107 -31.065 41.183 10.716 1.00 0.00 O ATOM 1632 CB ARG A 107 -29.288 42.821 12.413 1.00 0.00 C ATOM 1633 CG ARG A 107 -28.627 44.140 12.778 1.00 0.00 C ATOM 1634 CD ARG A 107 -27.142 44.111 12.746 1.00 0.00 C ATOM 1635 NE ARG A 107 -26.506 45.357 13.140 1.00 0.00 N ATOM 1636 CZ ARG A 107 -25.177 45.524 13.289 1.00 0.00 C ATOM 1637 NH1 ARG A 107 -24.345 44.521 13.116 1.00 0.00 N1+ ATOM 1638 NH2 ARG A 107 -24.734 46.719 13.638 1.00 0.00 N ATOM 0 H ARG A 107 -30.830 42.632 14.516 1.00 0.00 H new ATOM 0 HA ARG A 107 -31.121 43.673 11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -28.941 42.054 13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -28.955 42.527 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -28.978 44.911 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -28.951 44.431 13.777 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -26.793 43.315 13.404 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -26.818 43.856 11.737 1.00 0.00 H new ATOM 0 HE ARG A 107 -27.108 46.162 13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -24.703 43.599 12.865 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.342 44.665 13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -25.393 47.484 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.734 46.877 13.759 1.00 0.00 H new ATOM 1652 N SER A 108 -32.257 40.903 12.605 1.00 0.00 N ATOM 1653 CA SER A 108 -32.848 39.640 12.179 1.00 0.00 C ATOM 1654 C SER A 108 -33.755 39.835 10.970 1.00 0.00 C ATOM 1655 O SER A 108 -33.559 39.358 10.115 1.00 0.00 O ATOM 1656 CB SER A 108 -33.620 39.014 13.323 1.00 0.00 C ATOM 1657 OG SER A 108 -34.183 37.781 12.966 1.00 0.00 O ATOM 1658 OXT SER A 108 -34.708 40.564 11.047 1.00 0.00 O1- ATOM 0 H SER A 108 -32.564 41.223 13.524 1.00 0.00 H new ATOM 0 HA SER A 108 -32.041 38.969 11.886 1.00 0.00 H new ATOM 0 HB2 SER A 108 -32.955 38.875 14.176 1.00 0.00 H new ATOM 0 HB3 SER A 108 -34.410 39.694 13.642 1.00 0.00 H new ATOM 0 HG SER A 108 -33.496 37.083 13.008 1.00 0.00 H new TER 1664 SER A 108