USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 992 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 27 MET CE :methyl -164:sc= -4.71 (180deg=-3.23!) USER MOD Set 1.2: A 41 ASN : amide:sc= -7.63 K(o=-16,f=-28!) USER MOD Set 1.3: A 93 TYR OH : rot 41:sc= -4.13! USER MOD Set 2.1: A 84 THR OG1 : rot -88:sc= -0.1 USER MOD Set 2.2: A 85 SER OG : rot -99:sc= -0.511! USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -8.3! C(o=-19!,f=-14!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -2.08 K(o=-14,f=-20!) USER MOD Set 3.3: A 79 THR OG1 : rot 54:sc= -3.2! USER MOD Set 4.1: A 28 LYS NZ :NH3+ 167:sc= 2.56 (180deg=1.3) USER MOD Set 4.2: A 31 ASN :FLIP amide:sc= -8.09! C(o=-10!,f=-5.5!) USER MOD Set 5.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 19 SER OG : rot -97:sc= -0.0995! USER MOD Set 6.1: A 15 HIS :FLIP no HE2:sc= -5.73! C(o=-7.3!,f=-5.1!) USER MOD Set 6.2: A 42 THR OG1 : rot 90:sc= 0.621 USER MOD Set 7.1: A 9 GLN :FLIP amide:sc= 0.122 F(o=-5.2!,f=-0.38) USER MOD Set 7.2: A 12 LYS NZ :NH3+ 180:sc= -0.501 (180deg=-0.775) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -90:sc= -2.89! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 12:sc= -10! USER MOD Single : A 14 GLN : amide:sc= -11.1! C(o=-11!,f=-16!) USER MOD Single : A 21 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.21) USER MOD Single : A 24 ASN :FLIP amide:sc= -5.32! C(o=-13!,f=-5.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -1.61 F(o=-2.9!,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-6.1!) USER MOD Single : A 34 THR OG1 : rot -76:sc= -0.147! USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.273 (180deg=-1.2!) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.344) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 139:sc= -3.48! USER MOD Single : A 54 THR OG1 : rot 63:sc= 0.192 USER MOD Single : A 56 GLN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 57 THR OG1 : rot -144:sc= -0.0334 USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0016) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.71) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.4!) USER MOD Single : A 70 HIS : no HD1:sc= -20! C(o=-20!,f=-27!) USER MOD Single : A 71 GLN : amide:sc=-0.00874 K(o=-0.0087,f=-2!) USER MOD Single : A 72 SER OG : rot -90:sc= -1.42 USER MOD Single : A 73 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -142:sc=-0.00341 (180deg=-0.51) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0155 (180deg=-0.21) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.763 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.115) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.961 K(o=-0.96,f=-9.2!) USER MOD Single : A 99 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0.0441 (180deg=0.0436) USER MOD Single : A 101 SER OG : rot 180:sc= -2.8! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.35 USER MOD Single : A 107 LYS NZ :NH3+ -119:sc= -1.04 (180deg=-3.1!) USER MOD Single : A 110 GLN : amide:sc=-0.00322 X(o=-0.0032,f=-0.0032) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= -0.0301 (180deg=-0.294) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.364 X(o=-0.36,f=0.068) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.736 X(o=-0.74,f=-0.25) USER MOD Single : A 123 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 101.890 5.606 13.654 1.00 0.00 N ATOM 86 CA MET A 5 101.822 5.165 12.233 1.00 0.00 C ATOM 87 C MET A 5 102.624 6.132 11.362 1.00 0.00 C ATOM 88 O MET A 5 102.079 6.805 10.510 1.00 0.00 O ATOM 89 CB MET A 5 100.364 5.160 11.762 1.00 0.00 C ATOM 90 CG MET A 5 99.481 4.508 12.825 1.00 0.00 C ATOM 91 SD MET A 5 97.809 4.288 12.167 1.00 0.00 S ATOM 92 CE MET A 5 97.095 3.491 13.626 1.00 0.00 C ATOM 0 HA MET A 5 102.236 4.160 12.149 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.029 6.180 11.573 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.278 4.617 10.821 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.898 3.544 13.118 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.452 5.129 13.720 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.046 3.262 13.439 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.636 2.569 13.838 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.173 4.162 14.482 1.00 0.00 H new ATOM 102 N THR A 6 103.915 6.201 11.558 1.00 0.00 N ATOM 103 CA THR A 6 104.744 7.118 10.725 1.00 0.00 C ATOM 104 C THR A 6 104.303 6.988 9.263 1.00 0.00 C ATOM 105 O THR A 6 103.669 6.024 8.884 1.00 0.00 O ATOM 106 CB THR A 6 106.225 6.731 10.863 1.00 0.00 C ATOM 107 OG1 THR A 6 106.755 7.319 12.042 1.00 0.00 O ATOM 108 CG2 THR A 6 107.021 7.228 9.653 1.00 0.00 C ATOM 0 H THR A 6 104.428 5.664 12.257 1.00 0.00 H new ATOM 0 HA THR A 6 104.614 8.149 11.056 1.00 0.00 H new ATOM 0 HB THR A 6 106.302 5.645 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.120 8.204 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.068 6.946 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.620 6.779 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.942 8.313 9.587 1.00 0.00 H new ATOM 116 N SER A 7 104.627 7.944 8.439 1.00 0.00 N ATOM 117 CA SER A 7 104.218 7.856 7.009 1.00 0.00 C ATOM 118 C SER A 7 104.553 6.460 6.478 1.00 0.00 C ATOM 119 O SER A 7 103.694 5.733 6.021 1.00 0.00 O ATOM 120 CB SER A 7 104.974 8.909 6.199 1.00 0.00 C ATOM 121 OG SER A 7 104.597 10.205 6.646 1.00 0.00 O ATOM 0 H SER A 7 105.155 8.779 8.692 1.00 0.00 H new ATOM 0 HA SER A 7 103.146 8.034 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 7 106.049 8.770 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.750 8.798 5.138 1.00 0.00 H new ATOM 0 HG SER A 7 105.081 10.883 6.130 1.00 0.00 H new ATOM 127 N SER A 8 105.799 6.081 6.544 1.00 0.00 N ATOM 128 CA SER A 8 106.203 4.733 6.055 1.00 0.00 C ATOM 129 C SER A 8 105.523 3.649 6.881 1.00 0.00 C ATOM 130 O SER A 8 105.258 2.573 6.396 1.00 0.00 O ATOM 131 CB SER A 8 107.713 4.580 6.182 1.00 0.00 C ATOM 132 OG SER A 8 108.349 5.424 5.233 1.00 0.00 O ATOM 0 H SER A 8 106.559 6.650 6.918 1.00 0.00 H new ATOM 0 HA SER A 8 105.904 4.632 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.033 4.841 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.001 3.542 6.014 1.00 0.00 H new ATOM 0 HG SER A 8 107.691 6.043 4.853 1.00 0.00 H new ATOM 138 N GLN A 9 105.242 3.912 8.122 1.00 0.00 N ATOM 139 CA GLN A 9 104.579 2.872 8.953 1.00 0.00 C ATOM 140 C GLN A 9 103.176 2.613 8.406 1.00 0.00 C ATOM 141 O GLN A 9 102.802 1.490 8.150 1.00 0.00 O ATOM 142 CB GLN A 9 104.493 3.351 10.400 1.00 0.00 C ATOM 143 CG GLN A 9 105.794 3.006 11.128 1.00 0.00 C ATOM 144 CD GLN A 9 105.767 1.539 11.562 1.00 0.00 C ATOM 145 OE1 GLN A 9 104.825 0.755 11.113 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 106.612 1.102 12.318 1.00 0.00 N flip ATOM 0 H GLN A 9 105.440 4.794 8.595 1.00 0.00 H new ATOM 0 HA GLN A 9 105.158 1.949 8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.322 4.427 10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.647 2.880 10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.647 3.186 10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 9 105.917 3.651 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 9 107.348 1.715 12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 9 106.585 0.123 12.602 1.00 0.00 H new ATOM 155 N TRP A 10 102.398 3.640 8.209 1.00 0.00 N ATOM 156 CA TRP A 10 101.031 3.428 7.662 1.00 0.00 C ATOM 157 C TRP A 10 101.158 2.754 6.295 1.00 0.00 C ATOM 158 O TRP A 10 100.349 1.935 5.901 1.00 0.00 O ATOM 159 CB TRP A 10 100.317 4.787 7.528 1.00 0.00 C ATOM 160 CG TRP A 10 99.476 4.824 6.285 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.518 5.804 5.353 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.478 3.864 5.822 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.613 5.508 4.349 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.949 4.322 4.592 1.00 0.00 C ATOM 165 CE3 TRP A 10 97.987 2.654 6.343 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.969 3.603 3.905 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.003 1.928 5.654 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.497 2.402 4.439 1.00 0.00 C ATOM 0 H TRP A 10 102.648 4.610 8.402 1.00 0.00 H new ATOM 0 HA TRP A 10 100.446 2.794 8.328 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.690 4.962 8.402 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.054 5.589 7.498 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.155 6.676 5.387 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.456 6.094 3.529 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.370 2.280 7.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.579 3.973 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.635 0.999 6.064 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.740 1.838 3.913 1.00 0.00 H new ATOM 179 N PHE A 11 102.176 3.097 5.572 1.00 0.00 N ATOM 180 CA PHE A 11 102.366 2.498 4.224 1.00 0.00 C ATOM 181 C PHE A 11 102.985 1.108 4.333 1.00 0.00 C ATOM 182 O PHE A 11 103.022 0.374 3.375 1.00 0.00 O ATOM 183 CB PHE A 11 103.251 3.408 3.363 1.00 0.00 C ATOM 184 CG PHE A 11 102.450 3.862 2.168 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.600 4.964 2.282 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.543 3.169 0.956 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.840 5.378 1.187 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.785 3.583 -0.142 1.00 0.00 C ATOM 189 CZ PHE A 11 100.931 4.688 -0.028 1.00 0.00 C ATOM 0 H PHE A 11 102.890 3.769 5.853 1.00 0.00 H new ATOM 0 HA PHE A 11 101.390 2.401 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.587 4.268 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.144 2.873 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.531 5.497 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.199 2.316 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.182 6.230 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.857 3.051 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.344 5.007 -0.876 1.00 0.00 H new ATOM 199 N LYS A 12 103.454 0.720 5.480 1.00 0.00 N ATOM 200 CA LYS A 12 104.027 -0.647 5.594 1.00 0.00 C ATOM 201 C LYS A 12 102.871 -1.587 5.925 1.00 0.00 C ATOM 202 O LYS A 12 102.852 -2.734 5.566 1.00 0.00 O ATOM 203 CB LYS A 12 105.129 -0.681 6.672 1.00 0.00 C ATOM 204 CG LYS A 12 104.544 -0.967 8.065 1.00 0.00 C ATOM 205 CD LYS A 12 104.426 -2.482 8.304 1.00 0.00 C ATOM 206 CE LYS A 12 104.772 -2.803 9.761 1.00 0.00 C ATOM 207 NZ LYS A 12 103.833 -2.081 10.666 1.00 0.00 N ATOM 0 H LYS A 12 103.467 1.279 6.333 1.00 0.00 H new ATOM 0 HA LYS A 12 104.502 -0.959 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.863 -1.447 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.656 0.273 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.179 -0.521 8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.562 -0.502 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.414 -2.818 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.097 -3.019 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.706 -3.877 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 12 105.799 -2.508 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.068 -2.299 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.917 -1.057 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 102.858 -2.383 10.467 1.00 0.00 H new ATOM 221 N ILE A 13 101.869 -1.082 6.554 1.00 0.00 N ATOM 222 CA ILE A 13 100.688 -1.931 6.851 1.00 0.00 C ATOM 223 C ILE A 13 99.826 -1.935 5.595 1.00 0.00 C ATOM 224 O ILE A 13 98.989 -2.793 5.392 1.00 0.00 O ATOM 225 CB ILE A 13 99.906 -1.362 8.046 1.00 0.00 C ATOM 226 CG1 ILE A 13 99.897 0.173 7.980 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.565 -1.826 9.351 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.600 0.774 9.361 1.00 0.00 C ATOM 0 H ILE A 13 101.808 -0.117 6.880 1.00 0.00 H new ATOM 0 HA ILE A 13 100.989 -2.944 7.118 1.00 0.00 H new ATOM 0 HB ILE A 13 98.878 -1.722 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.862 0.532 7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.146 0.507 7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.013 -1.424 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.557 -2.915 9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.594 -1.469 9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.598 1.862 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.624 0.431 9.705 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.366 0.457 10.068 1.00 0.00 H new ATOM 240 N GLN A 14 100.045 -0.967 4.745 1.00 0.00 N ATOM 241 CA GLN A 14 99.272 -0.870 3.478 1.00 0.00 C ATOM 242 C GLN A 14 100.122 -1.383 2.294 1.00 0.00 C ATOM 243 O GLN A 14 99.623 -1.562 1.200 1.00 0.00 O ATOM 244 CB GLN A 14 98.902 0.613 3.255 1.00 0.00 C ATOM 245 CG GLN A 14 99.556 1.146 1.984 1.00 0.00 C ATOM 246 CD GLN A 14 99.253 2.638 1.839 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.538 3.417 2.727 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.682 3.073 0.750 1.00 0.00 N ATOM 0 H GLN A 14 100.737 -0.230 4.880 1.00 0.00 H new ATOM 0 HA GLN A 14 98.371 -1.481 3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.819 0.716 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.223 1.206 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.633 0.985 2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.183 0.603 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.442 2.420 0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.475 4.066 0.644 1.00 0.00 H new ATOM 257 N HIS A 15 101.408 -1.568 2.482 1.00 0.00 N ATOM 258 CA HIS A 15 102.275 -1.998 1.337 1.00 0.00 C ATOM 259 C HIS A 15 103.452 -2.872 1.813 1.00 0.00 C ATOM 260 O HIS A 15 104.441 -3.002 1.120 1.00 0.00 O ATOM 261 CB HIS A 15 102.847 -0.728 0.680 1.00 0.00 C ATOM 262 CG HIS A 15 102.253 -0.513 -0.684 1.00 0.00 C ATOM 263 ND1 HIS A 15 101.207 0.265 -1.112 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.764 -1.121 -1.821 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 101.071 0.144 -2.489 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 102.031 -0.700 -2.868 1.00 0.00 N flip ATOM 0 H HIS A 15 101.892 -1.441 3.371 1.00 0.00 H new ATOM 0 HA HIS A 15 101.675 -2.585 0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.641 0.137 1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.931 -0.812 0.599 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.620 0.843 -0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.598 -1.807 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 15 100.342 0.631 -3.119 1.00 0.00 H new ATOM 275 N MET A 16 103.370 -3.471 2.970 1.00 0.00 N ATOM 276 CA MET A 16 104.514 -4.324 3.441 1.00 0.00 C ATOM 277 C MET A 16 104.228 -5.793 3.139 1.00 0.00 C ATOM 278 O MET A 16 103.200 -6.327 3.504 1.00 0.00 O ATOM 279 CB MET A 16 104.737 -4.153 4.957 1.00 0.00 C ATOM 280 CG MET A 16 103.726 -4.996 5.749 1.00 0.00 C ATOM 281 SD MET A 16 104.336 -6.697 5.897 1.00 0.00 S ATOM 282 CE MET A 16 104.733 -6.655 7.663 1.00 0.00 C ATOM 0 H MET A 16 102.575 -3.412 3.606 1.00 0.00 H new ATOM 0 HA MET A 16 105.413 -4.007 2.913 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.752 -4.453 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.635 -3.102 5.229 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.575 -4.566 6.739 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.758 -4.988 5.247 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.132 -7.622 7.969 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.476 -5.880 7.850 1.00 0.00 H new ATOM 0 HE3 MET A 16 103.830 -6.437 8.234 1.00 0.00 H new ATOM 292 N GLN A 17 105.141 -6.456 2.484 1.00 0.00 N ATOM 293 CA GLN A 17 104.938 -7.894 2.173 1.00 0.00 C ATOM 294 C GLN A 17 105.824 -8.792 3.070 1.00 0.00 C ATOM 295 O GLN A 17 105.610 -9.986 3.129 1.00 0.00 O ATOM 296 CB GLN A 17 105.267 -8.155 0.702 1.00 0.00 C ATOM 297 CG GLN A 17 104.681 -9.506 0.287 1.00 0.00 C ATOM 298 CD GLN A 17 105.552 -10.136 -0.802 1.00 0.00 C ATOM 299 OE1 GLN A 17 105.884 -9.429 -1.848 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 105.936 -11.284 -0.700 1.00 0.00 N flip ATOM 0 H GLN A 17 106.020 -6.060 2.151 1.00 0.00 H new ATOM 0 HA GLN A 17 103.894 -8.140 2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.857 -7.360 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.347 -8.152 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.625 -10.169 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.663 -9.374 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.677 -11.838 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.517 -11.694 -1.431 1.00 0.00 H new ATOM 309 N PRO A 18 106.805 -8.257 3.776 1.00 0.00 N ATOM 310 CA PRO A 18 107.673 -9.092 4.654 1.00 0.00 C ATOM 311 C PRO A 18 106.852 -10.089 5.479 1.00 0.00 C ATOM 312 O PRO A 18 107.343 -11.121 5.887 1.00 0.00 O ATOM 313 CB PRO A 18 108.364 -8.074 5.565 1.00 0.00 C ATOM 314 CG PRO A 18 108.406 -6.804 4.778 1.00 0.00 C ATOM 315 CD PRO A 18 107.200 -6.835 3.830 1.00 0.00 C ATOM 0 HA PRO A 18 108.375 -9.697 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 18 107.813 -7.942 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.368 -8.404 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.358 -5.938 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.338 -6.726 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.387 -6.212 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.463 -6.459 2.841 1.00 0.00 H new ATOM 323 N SER A 19 105.601 -9.781 5.719 1.00 0.00 N ATOM 324 CA SER A 19 104.728 -10.699 6.513 1.00 0.00 C ATOM 325 C SER A 19 103.545 -9.906 7.081 1.00 0.00 C ATOM 326 O SER A 19 103.435 -9.710 8.275 1.00 0.00 O ATOM 327 CB SER A 19 105.531 -11.315 7.667 1.00 0.00 C ATOM 328 OG SER A 19 106.549 -10.408 8.067 1.00 0.00 O ATOM 0 H SER A 19 105.145 -8.928 5.397 1.00 0.00 H new ATOM 0 HA SER A 19 104.361 -11.497 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.872 -11.534 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 19 105.973 -12.261 7.354 1.00 0.00 H new ATOM 0 HG SER A 19 107.393 -10.651 7.633 1.00 0.00 H new ATOM 334 N PRO A 20 102.666 -9.453 6.227 1.00 0.00 N ATOM 335 CA PRO A 20 101.469 -8.668 6.637 1.00 0.00 C ATOM 336 C PRO A 20 100.317 -9.569 7.096 1.00 0.00 C ATOM 337 O PRO A 20 99.424 -9.134 7.789 1.00 0.00 O ATOM 338 CB PRO A 20 101.092 -7.923 5.361 1.00 0.00 C ATOM 339 CG PRO A 20 101.523 -8.821 4.245 1.00 0.00 C ATOM 340 CD PRO A 20 102.715 -9.638 4.767 1.00 0.00 C ATOM 0 HA PRO A 20 101.672 -8.014 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.020 -7.729 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.593 -6.957 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.708 -9.478 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.808 -8.239 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.627 -10.690 4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.657 -9.279 4.351 1.00 0.00 H new ATOM 348 N GLN A 21 100.350 -10.818 6.697 1.00 0.00 N ATOM 349 CA GLN A 21 99.282 -11.806 7.075 1.00 0.00 C ATOM 350 C GLN A 21 98.271 -11.929 5.934 1.00 0.00 C ATOM 351 O GLN A 21 97.079 -11.808 6.132 1.00 0.00 O ATOM 352 CB GLN A 21 98.552 -11.386 8.361 1.00 0.00 C ATOM 353 CG GLN A 21 99.571 -11.101 9.481 1.00 0.00 C ATOM 354 CD GLN A 21 99.418 -12.138 10.597 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.327 -12.380 11.073 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.475 -12.765 11.037 1.00 0.00 N ATOM 0 H GLN A 21 101.089 -11.206 6.111 1.00 0.00 H new ATOM 0 HA GLN A 21 99.763 -12.767 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 21 97.950 -10.497 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 21 97.868 -12.175 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 100.584 -11.132 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.416 -10.098 9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 21 101.391 -12.562 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 21 100.385 -13.458 11.780 1.00 0.00 H new ATOM 365 N ALA A 22 98.743 -12.176 4.741 1.00 0.00 N ATOM 366 CA ALA A 22 97.822 -12.317 3.577 1.00 0.00 C ATOM 367 C ALA A 22 97.329 -10.947 3.143 1.00 0.00 C ATOM 368 O ALA A 22 96.856 -10.167 3.945 1.00 0.00 O ATOM 369 CB ALA A 22 96.607 -13.169 3.960 1.00 0.00 C ATOM 0 H ALA A 22 99.733 -12.287 4.522 1.00 0.00 H new ATOM 0 HA ALA A 22 98.367 -12.797 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 95.943 -13.263 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 22 96.940 -14.159 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.072 -12.691 4.781 1.00 0.00 H new ATOM 375 N CYS A 23 97.400 -10.653 1.880 1.00 0.00 N ATOM 376 CA CYS A 23 96.894 -9.343 1.423 1.00 0.00 C ATOM 377 C CYS A 23 95.467 -9.205 1.904 1.00 0.00 C ATOM 378 O CYS A 23 94.986 -8.128 2.162 1.00 0.00 O ATOM 379 CB CYS A 23 96.900 -9.277 -0.086 1.00 0.00 C ATOM 380 SG CYS A 23 98.579 -9.560 -0.693 1.00 0.00 S ATOM 0 H CYS A 23 97.783 -11.258 1.153 1.00 0.00 H new ATOM 0 HA CYS A 23 97.526 -8.547 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.222 -10.026 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.540 -8.304 -0.420 1.00 0.00 H new ATOM 385 N ASN A 24 94.779 -10.298 2.032 1.00 0.00 N ATOM 386 CA ASN A 24 93.381 -10.208 2.514 1.00 0.00 C ATOM 387 C ASN A 24 93.377 -9.386 3.804 1.00 0.00 C ATOM 388 O ASN A 24 92.639 -8.435 3.945 1.00 0.00 O ATOM 389 CB ASN A 24 92.821 -11.608 2.791 1.00 0.00 C ATOM 390 CG ASN A 24 93.309 -12.591 1.724 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.588 -12.809 1.587 1.00 0.00 O flip ATOM 392 ND2 ASN A 24 92.514 -13.174 1.014 1.00 0.00 N flip ATOM 0 H ASN A 24 95.118 -11.238 1.827 1.00 0.00 H new ATOM 0 HA ASN A 24 92.757 -9.735 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.136 -11.945 3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 24 91.731 -11.578 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 24 91.514 -13.004 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 24 92.847 -13.834 0.311 1.00 0.00 H new ATOM 399 N SER A 25 94.215 -9.741 4.741 1.00 0.00 N ATOM 400 CA SER A 25 94.272 -8.985 6.027 1.00 0.00 C ATOM 401 C SER A 25 95.114 -7.718 5.850 1.00 0.00 C ATOM 402 O SER A 25 94.804 -6.665 6.380 1.00 0.00 O ATOM 403 CB SER A 25 94.902 -9.867 7.107 1.00 0.00 C ATOM 404 OG SER A 25 94.607 -9.324 8.387 1.00 0.00 O ATOM 0 H SER A 25 94.865 -10.524 4.671 1.00 0.00 H new ATOM 0 HA SER A 25 93.261 -8.705 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.517 -10.884 7.033 1.00 0.00 H new ATOM 0 HB3 SER A 25 95.981 -9.924 6.963 1.00 0.00 H new ATOM 0 HG SER A 25 95.008 -9.887 9.082 1.00 0.00 H new ATOM 410 N ALA A 26 96.170 -7.804 5.098 1.00 0.00 N ATOM 411 CA ALA A 26 97.019 -6.604 4.877 1.00 0.00 C ATOM 412 C ALA A 26 96.128 -5.484 4.379 1.00 0.00 C ATOM 413 O ALA A 26 96.236 -4.344 4.788 1.00 0.00 O ATOM 414 CB ALA A 26 98.070 -6.926 3.824 1.00 0.00 C ATOM 0 H ALA A 26 96.483 -8.652 4.626 1.00 0.00 H new ATOM 0 HA ALA A 26 97.516 -6.308 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.697 -6.050 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.689 -7.755 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.578 -7.204 2.892 1.00 0.00 H new ATOM 420 N MET A 27 95.237 -5.816 3.500 1.00 0.00 N ATOM 421 CA MET A 27 94.312 -4.803 2.959 1.00 0.00 C ATOM 422 C MET A 27 93.255 -4.491 4.016 1.00 0.00 C ATOM 423 O MET A 27 92.721 -3.402 4.070 1.00 0.00 O ATOM 424 CB MET A 27 93.648 -5.356 1.695 1.00 0.00 C ATOM 425 CG MET A 27 93.342 -4.205 0.733 1.00 0.00 C ATOM 426 SD MET A 27 91.841 -3.351 1.275 1.00 0.00 S ATOM 427 CE MET A 27 92.034 -1.870 0.253 1.00 0.00 C ATOM 0 H MET A 27 95.110 -6.758 3.130 1.00 0.00 H new ATOM 0 HA MET A 27 94.851 -3.890 2.706 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.305 -6.081 1.214 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.729 -5.881 1.954 1.00 0.00 H new ATOM 0 HG2 MET A 27 94.180 -3.508 0.704 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.211 -4.588 -0.279 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.379 -1.082 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 27 93.069 -1.531 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.770 -2.103 -0.779 1.00 0.00 H new ATOM 437 N LYS A 28 92.954 -5.438 4.865 1.00 0.00 N ATOM 438 CA LYS A 28 91.933 -5.174 5.921 1.00 0.00 C ATOM 439 C LYS A 28 92.369 -3.962 6.740 1.00 0.00 C ATOM 440 O LYS A 28 91.552 -3.231 7.263 1.00 0.00 O ATOM 441 CB LYS A 28 91.789 -6.386 6.847 1.00 0.00 C ATOM 442 CG LYS A 28 90.980 -7.490 6.155 1.00 0.00 C ATOM 443 CD LYS A 28 89.534 -7.025 5.898 1.00 0.00 C ATOM 444 CE LYS A 28 89.307 -6.849 4.390 1.00 0.00 C ATOM 445 NZ LYS A 28 88.030 -6.115 4.163 1.00 0.00 N ATOM 0 H LYS A 28 93.365 -6.372 4.874 1.00 0.00 H new ATOM 0 HA LYS A 28 90.971 -4.983 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.775 -6.764 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.295 -6.089 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.454 -7.758 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.974 -8.387 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.831 -7.755 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.347 -6.084 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.138 -6.300 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.272 -7.822 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.981 -5.802 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.227 -6.743 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.990 -5.286 4.790 1.00 0.00 H new ATOM 459 N ASN A 29 93.647 -3.725 6.848 1.00 0.00 N ATOM 460 CA ASN A 29 94.100 -2.539 7.626 1.00 0.00 C ATOM 461 C ASN A 29 93.808 -1.291 6.794 1.00 0.00 C ATOM 462 O ASN A 29 93.579 -0.207 7.303 1.00 0.00 O ATOM 463 CB ASN A 29 95.605 -2.643 7.890 1.00 0.00 C ATOM 464 CG ASN A 29 96.045 -1.493 8.798 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.773 -0.265 8.453 1.00 0.00 O flip ATOM 466 ND2 ASN A 29 96.643 -1.715 9.832 1.00 0.00 N flip ATOM 0 H ASN A 29 94.388 -4.293 6.437 1.00 0.00 H new ATOM 0 HA ASN A 29 93.579 -2.488 8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.837 -3.599 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.153 -2.607 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.856 -2.675 10.102 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.932 -0.941 10.430 1.00 0.00 H new ATOM 473 N ILE A 30 93.811 -1.452 5.506 1.00 0.00 N ATOM 474 CA ILE A 30 93.544 -0.311 4.597 1.00 0.00 C ATOM 475 C ILE A 30 92.038 -0.052 4.517 1.00 0.00 C ATOM 476 O ILE A 30 91.599 1.075 4.424 1.00 0.00 O ATOM 477 CB ILE A 30 94.089 -0.668 3.216 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.494 -1.256 3.393 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.140 0.582 2.318 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.146 -1.463 2.024 1.00 0.00 C ATOM 0 H ILE A 30 93.990 -2.340 5.037 1.00 0.00 H new ATOM 0 HA ILE A 30 94.028 0.592 4.969 1.00 0.00 H new ATOM 0 HB ILE A 30 93.437 -1.397 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.104 -0.587 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.436 -2.205 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.531 0.310 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.136 0.992 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.789 1.330 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.144 -1.881 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.540 -2.150 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.219 -0.506 1.507 1.00 0.00 H new ATOM 492 N ASN A 31 91.245 -1.086 4.556 1.00 0.00 N ATOM 493 CA ASN A 31 89.769 -0.893 4.484 1.00 0.00 C ATOM 494 C ASN A 31 89.263 -0.375 5.829 1.00 0.00 C ATOM 495 O ASN A 31 88.166 0.134 5.937 1.00 0.00 O ATOM 496 CB ASN A 31 89.095 -2.230 4.148 1.00 0.00 C ATOM 497 CG ASN A 31 88.746 -2.993 5.430 1.00 0.00 C ATOM 498 OD1 ASN A 31 87.694 -3.764 5.449 1.00 0.00 O flip ATOM 499 ND2 ASN A 31 89.437 -2.886 6.423 1.00 0.00 N flip ATOM 0 H ASN A 31 91.554 -2.055 4.634 1.00 0.00 H new ATOM 0 HA ASN A 31 89.528 -0.168 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.191 -2.052 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.759 -2.833 3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 31 90.260 -2.283 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 31 89.195 -3.399 7.271 1.00 0.00 H new ATOM 506 N LYS A 32 90.056 -0.495 6.856 1.00 0.00 N ATOM 507 CA LYS A 32 89.611 -0.005 8.187 1.00 0.00 C ATOM 508 C LYS A 32 89.944 1.482 8.305 1.00 0.00 C ATOM 509 O LYS A 32 89.210 2.245 8.901 1.00 0.00 O ATOM 510 CB LYS A 32 90.295 -0.825 9.300 1.00 0.00 C ATOM 511 CG LYS A 32 91.675 -0.247 9.658 1.00 0.00 C ATOM 512 CD LYS A 32 91.551 0.700 10.857 1.00 0.00 C ATOM 513 CE LYS A 32 92.807 1.566 10.958 1.00 0.00 C ATOM 514 NZ LYS A 32 92.688 2.480 12.129 1.00 0.00 N ATOM 0 H LYS A 32 90.988 -0.909 6.831 1.00 0.00 H new ATOM 0 HA LYS A 32 88.534 -0.130 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.662 -0.835 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.406 -1.860 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.367 -1.055 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.088 0.288 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.670 1.331 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.418 0.126 11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.689 0.935 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.937 2.145 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.542 3.069 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.855 3.091 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.584 1.919 12.998 1.00 0.00 H new ATOM 528 N HIS A 33 91.043 1.906 7.738 1.00 0.00 N ATOM 529 CA HIS A 33 91.405 3.350 7.821 1.00 0.00 C ATOM 530 C HIS A 33 90.764 4.111 6.647 1.00 0.00 C ATOM 531 O HIS A 33 90.576 5.310 6.710 1.00 0.00 O ATOM 532 CB HIS A 33 92.937 3.490 7.803 1.00 0.00 C ATOM 533 CG HIS A 33 93.387 4.251 6.587 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.381 5.638 6.533 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.866 3.829 5.376 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.846 5.997 5.322 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.155 4.932 4.581 1.00 0.00 N ATOM 0 H HIS A 33 91.701 1.319 7.225 1.00 0.00 H new ATOM 0 HA HIS A 33 91.029 3.778 8.750 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.271 4.004 8.704 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.398 2.502 7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.999 2.798 5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.955 7.019 4.992 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.526 4.928 3.631 1.00 0.00 H new ATOM 546 N THR A 34 90.415 3.427 5.584 1.00 0.00 N ATOM 547 CA THR A 34 89.774 4.121 4.421 1.00 0.00 C ATOM 548 C THR A 34 88.266 3.882 4.455 1.00 0.00 C ATOM 549 O THR A 34 87.519 4.470 3.699 1.00 0.00 O ATOM 550 CB THR A 34 90.320 3.566 3.101 1.00 0.00 C ATOM 551 OG1 THR A 34 90.097 2.164 3.052 1.00 0.00 O ATOM 552 CG2 THR A 34 91.817 3.850 2.988 1.00 0.00 C ATOM 0 H THR A 34 90.545 2.422 5.471 1.00 0.00 H new ATOM 0 HA THR A 34 89.995 5.186 4.489 1.00 0.00 H new ATOM 0 HB THR A 34 89.806 4.050 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.750 1.709 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.193 3.451 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.987 4.926 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.341 3.376 3.818 1.00 0.00 H new ATOM 560 N LYS A 35 87.812 3.012 5.314 1.00 0.00 N ATOM 561 CA LYS A 35 86.352 2.726 5.380 1.00 0.00 C ATOM 562 C LYS A 35 85.885 2.195 4.022 1.00 0.00 C ATOM 563 O LYS A 35 84.710 2.198 3.711 1.00 0.00 O ATOM 564 CB LYS A 35 85.585 4.007 5.724 1.00 0.00 C ATOM 565 CG LYS A 35 86.302 4.750 6.855 1.00 0.00 C ATOM 566 CD LYS A 35 86.513 3.802 8.038 1.00 0.00 C ATOM 567 CE LYS A 35 86.866 4.614 9.286 1.00 0.00 C ATOM 568 NZ LYS A 35 85.747 5.544 9.607 1.00 0.00 N ATOM 0 H LYS A 35 88.388 2.487 5.972 1.00 0.00 H new ATOM 0 HA LYS A 35 86.161 1.981 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.513 4.646 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.566 3.763 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.262 5.129 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.714 5.613 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.610 3.217 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.312 3.095 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 35 87.050 3.946 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.784 5.177 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 85.756 5.760 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.861 6.424 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.842 5.098 9.356 1.00 0.00 H new ATOM 582 N ARG A 36 86.802 1.739 3.210 1.00 0.00 N ATOM 583 CA ARG A 36 86.425 1.206 1.871 1.00 0.00 C ATOM 584 C ARG A 36 87.565 0.327 1.355 1.00 0.00 C ATOM 585 O ARG A 36 88.714 0.536 1.689 1.00 0.00 O ATOM 586 CB ARG A 36 86.193 2.376 0.907 1.00 0.00 C ATOM 587 CG ARG A 36 86.441 1.929 -0.542 1.00 0.00 C ATOM 588 CD ARG A 36 85.372 0.924 -0.983 1.00 0.00 C ATOM 589 NE ARG A 36 84.653 1.459 -2.174 1.00 0.00 N ATOM 590 CZ ARG A 36 83.657 2.290 -2.020 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.288 2.654 -0.822 1.00 0.00 N ATOM 592 NH2 ARG A 36 83.031 2.757 -3.065 1.00 0.00 N ATOM 0 H ARG A 36 87.800 1.713 3.419 1.00 0.00 H new ATOM 0 HA ARG A 36 85.511 0.617 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.173 2.746 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.858 3.202 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.429 2.795 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.430 1.478 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.834 -0.034 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.669 0.744 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 36 84.939 1.176 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.778 2.289 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.510 3.303 -0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.319 2.473 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.253 3.406 -2.946 1.00 0.00 H new ATOM 606 N CYS A 37 87.269 -0.646 0.533 1.00 0.00 N ATOM 607 CA CYS A 37 88.353 -1.511 0.004 1.00 0.00 C ATOM 608 C CYS A 37 88.832 -0.968 -1.344 1.00 0.00 C ATOM 609 O CYS A 37 88.238 -1.217 -2.374 1.00 0.00 O ATOM 610 CB CYS A 37 87.830 -2.935 -0.162 1.00 0.00 C ATOM 611 SG CYS A 37 88.321 -3.915 1.281 1.00 0.00 S ATOM 0 H CYS A 37 86.329 -0.874 0.210 1.00 0.00 H new ATOM 0 HA CYS A 37 89.190 -1.516 0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.745 -2.928 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.231 -3.379 -1.073 1.00 0.00 H new ATOM 616 N LYS A 38 89.901 -0.220 -1.325 1.00 0.00 N ATOM 617 CA LYS A 38 90.467 0.371 -2.577 1.00 0.00 C ATOM 618 C LYS A 38 90.280 -0.564 -3.785 1.00 0.00 C ATOM 619 O LYS A 38 90.431 -0.141 -4.912 1.00 0.00 O ATOM 620 CB LYS A 38 91.965 0.632 -2.364 1.00 0.00 C ATOM 621 CG LYS A 38 92.166 2.065 -1.862 1.00 0.00 C ATOM 622 CD LYS A 38 93.579 2.218 -1.291 1.00 0.00 C ATOM 623 CE LYS A 38 94.020 3.680 -1.389 1.00 0.00 C ATOM 624 NZ LYS A 38 92.997 4.552 -0.745 1.00 0.00 N ATOM 0 H LYS A 38 90.419 0.013 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 38 89.937 1.299 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.370 -0.078 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.508 0.483 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 38 92.015 2.771 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 38 91.426 2.300 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 38 93.599 1.891 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 38 94.274 1.581 -1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 38 94.986 3.813 -0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 38 94.149 3.963 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 93.468 5.355 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 92.339 4.907 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 92.469 4.003 -0.037 1.00 0.00 H new ATOM 638 N ASP A 39 89.959 -1.819 -3.574 1.00 0.00 N ATOM 639 CA ASP A 39 89.768 -2.752 -4.727 1.00 0.00 C ATOM 640 C ASP A 39 91.127 -3.268 -5.207 1.00 0.00 C ATOM 641 O ASP A 39 91.225 -4.326 -5.793 1.00 0.00 O ATOM 642 CB ASP A 39 89.049 -2.043 -5.885 1.00 0.00 C ATOM 643 CG ASP A 39 88.004 -1.073 -5.329 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.194 -1.503 -4.524 1.00 0.00 O ATOM 645 OD2 ASP A 39 88.032 0.083 -5.717 1.00 0.00 O ATOM 0 H ASP A 39 89.821 -2.236 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 39 89.155 -3.590 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 39 89.771 -1.503 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.569 -2.778 -6.532 1.00 0.00 H new ATOM 650 N LEU A 40 92.180 -2.534 -4.964 1.00 0.00 N ATOM 651 CA LEU A 40 93.527 -2.998 -5.411 1.00 0.00 C ATOM 652 C LEU A 40 94.588 -2.491 -4.428 1.00 0.00 C ATOM 653 O LEU A 40 94.529 -1.372 -3.956 1.00 0.00 O ATOM 654 CB LEU A 40 93.813 -2.450 -6.824 1.00 0.00 C ATOM 655 CG LEU A 40 94.159 -3.583 -7.806 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.426 -4.326 -7.356 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.983 -4.562 -7.902 1.00 0.00 C ATOM 0 H LEU A 40 92.167 -1.637 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 40 93.554 -4.087 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.942 -1.905 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.639 -1.740 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 40 94.348 -3.147 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.652 -5.123 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.262 -3.628 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.264 -4.755 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.232 -5.363 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.781 -4.986 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.098 -4.034 -8.258 1.00 0.00 H new ATOM 669 N ASN A 41 95.556 -3.309 -4.116 1.00 0.00 N ATOM 670 CA ASN A 41 96.622 -2.885 -3.165 1.00 0.00 C ATOM 671 C ASN A 41 97.898 -3.676 -3.452 1.00 0.00 C ATOM 672 O ASN A 41 97.891 -4.889 -3.495 1.00 0.00 O ATOM 673 CB ASN A 41 96.160 -3.152 -1.734 1.00 0.00 C ATOM 674 CG ASN A 41 94.921 -2.306 -1.439 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.808 -2.761 -1.607 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.068 -1.083 -1.006 1.00 0.00 N ATOM 0 H ASN A 41 95.654 -4.257 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 41 96.822 -1.820 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.932 -4.210 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.957 -2.909 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.248 -0.510 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 41 96.003 -0.701 -0.865 1.00 0.00 H new ATOM 683 N THR A 42 98.991 -2.995 -3.657 1.00 0.00 N ATOM 684 CA THR A 42 100.274 -3.696 -3.951 1.00 0.00 C ATOM 685 C THR A 42 101.174 -3.659 -2.712 1.00 0.00 C ATOM 686 O THR A 42 101.073 -2.779 -1.883 1.00 0.00 O ATOM 687 CB THR A 42 100.974 -2.993 -5.127 1.00 0.00 C ATOM 688 OG1 THR A 42 100.499 -1.657 -5.220 1.00 0.00 O ATOM 689 CG2 THR A 42 100.677 -3.723 -6.443 1.00 0.00 C ATOM 0 H THR A 42 99.052 -1.977 -3.634 1.00 0.00 H new ATOM 0 HA THR A 42 100.075 -4.735 -4.215 1.00 0.00 H new ATOM 0 HB THR A 42 102.050 -3.001 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 42 101.058 -1.072 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.180 -3.212 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.038 -4.750 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.602 -3.727 -6.622 1.00 0.00 H new ATOM 697 N PHE A 43 102.047 -4.621 -2.583 1.00 0.00 N ATOM 698 CA PHE A 43 102.965 -4.663 -1.408 1.00 0.00 C ATOM 699 C PHE A 43 104.369 -5.022 -1.909 1.00 0.00 C ATOM 700 O PHE A 43 104.524 -5.558 -2.985 1.00 0.00 O ATOM 701 CB PHE A 43 102.476 -5.725 -0.415 1.00 0.00 C ATOM 702 CG PHE A 43 101.119 -5.335 0.135 1.00 0.00 C ATOM 703 CD1 PHE A 43 99.988 -5.377 -0.691 1.00 0.00 C ATOM 704 CD2 PHE A 43 100.989 -4.936 1.473 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.734 -5.022 -0.181 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.734 -4.582 1.981 1.00 0.00 C ATOM 707 CZ PHE A 43 98.607 -4.625 1.154 1.00 0.00 C ATOM 0 H PHE A 43 102.165 -5.386 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 43 102.985 -3.696 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.412 -6.695 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.192 -5.829 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.084 -5.684 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.859 -4.902 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.863 -5.055 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.636 -4.276 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.639 -4.352 1.546 1.00 0.00 H new ATOM 717 N LEU A 44 105.393 -4.734 -1.145 1.00 0.00 N ATOM 718 CA LEU A 44 106.786 -5.064 -1.587 1.00 0.00 C ATOM 719 C LEU A 44 107.411 -6.021 -0.563 1.00 0.00 C ATOM 720 O LEU A 44 107.043 -6.006 0.595 1.00 0.00 O ATOM 721 CB LEU A 44 107.614 -3.773 -1.702 1.00 0.00 C ATOM 722 CG LEU A 44 106.900 -2.781 -2.631 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.747 -1.510 -2.794 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.697 -3.427 -4.001 1.00 0.00 C ATOM 0 H LEU A 44 105.326 -4.284 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 44 106.769 -5.545 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.751 -3.329 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.607 -4.000 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 44 105.935 -2.517 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.233 -0.812 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.896 -1.045 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.714 -1.770 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.190 -2.725 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.665 -3.691 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.090 -4.326 -3.893 1.00 0.00 H new ATOM 736 N HIS A 45 108.343 -6.862 -0.965 1.00 0.00 N ATOM 737 CA HIS A 45 108.950 -7.817 0.028 1.00 0.00 C ATOM 738 C HIS A 45 110.389 -7.427 0.326 1.00 0.00 C ATOM 739 O HIS A 45 111.325 -8.113 -0.033 1.00 0.00 O ATOM 740 CB HIS A 45 108.918 -9.251 -0.512 1.00 0.00 C ATOM 741 CG HIS A 45 108.943 -10.223 0.637 1.00 0.00 C ATOM 742 ND1 HIS A 45 107.783 -10.653 1.267 1.00 0.00 N ATOM 743 CD2 HIS A 45 109.977 -10.857 1.281 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.145 -11.508 2.243 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.469 -11.665 2.291 1.00 0.00 N ATOM 0 H HIS A 45 108.704 -6.929 -1.917 1.00 0.00 H new ATOM 0 HA HIS A 45 108.363 -7.767 0.945 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.021 -9.405 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.773 -9.423 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.024 -10.745 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 45 107.450 -12.004 2.904 1.00 0.00 H new ATOM 0 HE2 HIS A 45 109.997 -12.254 2.934 1.00 0.00 H new ATOM 754 N GLU A 46 110.566 -6.335 0.995 1.00 0.00 N ATOM 755 CA GLU A 46 111.932 -5.887 1.344 1.00 0.00 C ATOM 756 C GLU A 46 111.841 -5.107 2.667 1.00 0.00 C ATOM 757 O GLU A 46 111.000 -4.249 2.813 1.00 0.00 O ATOM 758 CB GLU A 46 112.449 -4.999 0.207 1.00 0.00 C ATOM 759 CG GLU A 46 113.912 -4.639 0.449 1.00 0.00 C ATOM 760 CD GLU A 46 114.805 -5.816 0.050 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.621 -6.330 -1.042 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.657 -6.183 0.841 1.00 0.00 O ATOM 0 H GLU A 46 109.815 -5.725 1.319 1.00 0.00 H new ATOM 0 HA GLU A 46 112.620 -6.723 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.347 -5.518 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.849 -4.092 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.179 -3.755 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.067 -4.392 1.499 1.00 0.00 H new ATOM 769 N PRO A 47 112.664 -5.414 3.644 1.00 0.00 N ATOM 770 CA PRO A 47 112.611 -4.713 4.961 1.00 0.00 C ATOM 771 C PRO A 47 112.644 -3.191 4.814 1.00 0.00 C ATOM 772 O PRO A 47 113.509 -2.638 4.166 1.00 0.00 O ATOM 773 CB PRO A 47 113.853 -5.195 5.705 1.00 0.00 C ATOM 774 CG PRO A 47 114.243 -6.486 5.056 1.00 0.00 C ATOM 775 CD PRO A 47 113.714 -6.447 3.617 1.00 0.00 C ATOM 0 HA PRO A 47 111.682 -4.937 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.658 -4.464 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.643 -5.338 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.326 -6.609 5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.821 -7.332 5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.504 -6.194 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.313 -7.414 3.314 1.00 0.00 H new ATOM 783 N PHE A 48 111.707 -2.515 5.418 1.00 0.00 N ATOM 784 CA PHE A 48 111.667 -1.026 5.329 1.00 0.00 C ATOM 785 C PHE A 48 113.068 -0.459 5.504 1.00 0.00 C ATOM 786 O PHE A 48 113.336 0.648 5.116 1.00 0.00 O ATOM 787 CB PHE A 48 110.737 -0.485 6.409 1.00 0.00 C ATOM 788 CG PHE A 48 109.661 -1.520 6.661 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.096 -2.213 5.579 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.241 -1.805 7.966 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.118 -3.182 5.801 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.260 -2.780 8.187 1.00 0.00 C ATOM 793 CZ PHE A 48 107.699 -3.468 7.104 1.00 0.00 C ATOM 0 H PHE A 48 110.961 -2.932 5.974 1.00 0.00 H new ATOM 0 HA PHE A 48 111.293 -0.726 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.293 -0.283 7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.292 0.458 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.420 -1.995 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.673 -1.274 8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.684 -3.712 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 48 107.936 -3.001 9.193 1.00 0.00 H new ATOM 0 HZ PHE A 48 106.943 -4.220 7.275 1.00 0.00 H new ATOM 803 N SER A 49 113.966 -1.210 6.069 1.00 0.00 N ATOM 804 CA SER A 49 115.353 -0.703 6.233 1.00 0.00 C ATOM 805 C SER A 49 116.050 -0.788 4.876 1.00 0.00 C ATOM 806 O SER A 49 116.831 0.069 4.500 1.00 0.00 O ATOM 807 CB SER A 49 116.101 -1.564 7.253 1.00 0.00 C ATOM 808 OG SER A 49 117.430 -1.080 7.391 1.00 0.00 O ATOM 0 H SER A 49 113.801 -2.152 6.424 1.00 0.00 H new ATOM 0 HA SER A 49 115.341 0.327 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 49 115.589 -1.535 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.112 -2.605 6.929 1.00 0.00 H new ATOM 0 HG SER A 49 117.912 -1.628 8.045 1.00 0.00 H new ATOM 814 N SER A 50 115.743 -1.808 4.120 1.00 0.00 N ATOM 815 CA SER A 50 116.357 -1.948 2.777 1.00 0.00 C ATOM 816 C SER A 50 115.532 -1.115 1.807 1.00 0.00 C ATOM 817 O SER A 50 116.058 -0.343 1.039 1.00 0.00 O ATOM 818 CB SER A 50 116.341 -3.415 2.362 1.00 0.00 C ATOM 819 OG SER A 50 116.180 -3.505 0.953 1.00 0.00 O ATOM 0 H SER A 50 115.092 -2.549 4.379 1.00 0.00 H new ATOM 0 HA SER A 50 117.392 -1.605 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 117.269 -3.900 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 50 115.528 -3.938 2.866 1.00 0.00 H new ATOM 0 HG SER A 50 116.766 -4.207 0.601 1.00 0.00 H new ATOM 825 N VAL A 51 114.235 -1.239 1.868 1.00 0.00 N ATOM 826 CA VAL A 51 113.373 -0.412 0.978 1.00 0.00 C ATOM 827 C VAL A 51 113.664 1.044 1.324 1.00 0.00 C ATOM 828 O VAL A 51 113.633 1.923 0.487 1.00 0.00 O ATOM 829 CB VAL A 51 111.890 -0.710 1.243 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.102 -0.644 -0.071 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.745 -2.105 1.850 1.00 0.00 C ATOM 0 H VAL A 51 113.737 -1.874 2.492 1.00 0.00 H new ATOM 0 HA VAL A 51 113.579 -0.628 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 51 111.498 0.033 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.051 -0.856 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.197 0.352 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.497 -1.381 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.691 -2.313 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.144 -2.846 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.296 -2.152 2.789 1.00 0.00 H new ATOM 841 N ALA A 52 113.964 1.286 2.574 1.00 0.00 N ATOM 842 CA ALA A 52 114.283 2.663 3.021 1.00 0.00 C ATOM 843 C ALA A 52 115.441 3.171 2.169 1.00 0.00 C ATOM 844 O ALA A 52 115.345 4.181 1.501 1.00 0.00 O ATOM 845 CB ALA A 52 114.700 2.642 4.497 1.00 0.00 C ATOM 0 H ALA A 52 114.000 0.577 3.307 1.00 0.00 H new ATOM 0 HA ALA A 52 113.414 3.312 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.934 3.655 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.883 2.246 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.580 2.010 4.618 1.00 0.00 H new ATOM 851 N ALA A 53 116.536 2.457 2.174 1.00 0.00 N ATOM 852 CA ALA A 53 117.699 2.878 1.347 1.00 0.00 C ATOM 853 C ALA A 53 117.309 2.791 -0.129 1.00 0.00 C ATOM 854 O ALA A 53 117.761 3.565 -0.949 1.00 0.00 O ATOM 855 CB ALA A 53 118.884 1.951 1.623 1.00 0.00 C ATOM 0 H ALA A 53 116.673 1.603 2.715 1.00 0.00 H new ATOM 0 HA ALA A 53 117.982 3.901 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.736 2.259 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.151 2.006 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.611 0.926 1.370 1.00 0.00 H new ATOM 861 N THR A 54 116.461 1.858 -0.469 1.00 0.00 N ATOM 862 CA THR A 54 116.027 1.727 -1.885 1.00 0.00 C ATOM 863 C THR A 54 115.364 3.030 -2.306 1.00 0.00 C ATOM 864 O THR A 54 115.450 3.445 -3.444 1.00 0.00 O ATOM 865 CB THR A 54 115.016 0.579 -2.020 1.00 0.00 C ATOM 866 OG1 THR A 54 115.529 -0.580 -1.379 1.00 0.00 O ATOM 867 CG2 THR A 54 114.766 0.277 -3.498 1.00 0.00 C ATOM 0 H THR A 54 116.051 1.181 0.175 1.00 0.00 H new ATOM 0 HA THR A 54 116.890 1.515 -2.517 1.00 0.00 H new ATOM 0 HB THR A 54 114.076 0.871 -1.551 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.645 -0.401 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 54 114.048 -0.538 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.369 1.165 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.703 -0.012 -3.974 1.00 0.00 H new ATOM 875 N CYS A 55 114.699 3.689 -1.397 1.00 0.00 N ATOM 876 CA CYS A 55 114.037 4.958 -1.768 1.00 0.00 C ATOM 877 C CYS A 55 115.087 6.065 -1.885 1.00 0.00 C ATOM 878 O CYS A 55 114.777 7.238 -1.815 1.00 0.00 O ATOM 879 CB CYS A 55 112.992 5.333 -0.716 1.00 0.00 C ATOM 880 SG CYS A 55 111.711 6.348 -1.492 1.00 0.00 S ATOM 0 H CYS A 55 114.589 3.402 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 55 113.535 4.835 -2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.551 4.434 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.461 5.880 0.102 1.00 0.00 H new ATOM 885 N GLN A 56 116.332 5.697 -2.057 1.00 0.00 N ATOM 886 CA GLN A 56 117.413 6.722 -2.170 1.00 0.00 C ATOM 887 C GLN A 56 118.003 6.722 -3.587 1.00 0.00 C ATOM 888 O GLN A 56 118.766 7.598 -3.943 1.00 0.00 O ATOM 889 CB GLN A 56 118.520 6.397 -1.164 1.00 0.00 C ATOM 890 CG GLN A 56 119.435 7.613 -0.996 1.00 0.00 C ATOM 891 CD GLN A 56 120.460 7.333 0.104 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.745 8.189 0.917 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.030 6.160 0.165 1.00 0.00 N ATOM 0 H GLN A 56 116.646 4.729 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 56 116.993 7.706 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 56 118.083 6.122 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.098 5.539 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.944 7.831 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.845 8.493 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 56 120.791 5.441 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 56 121.714 5.963 0.895 1.00 0.00 H new ATOM 902 N THR A 57 117.667 5.756 -4.402 1.00 0.00 N ATOM 903 CA THR A 57 118.233 5.734 -5.788 1.00 0.00 C ATOM 904 C THR A 57 117.676 6.919 -6.583 1.00 0.00 C ATOM 905 O THR A 57 116.692 7.519 -6.205 1.00 0.00 O ATOM 906 CB THR A 57 117.862 4.419 -6.495 1.00 0.00 C ATOM 907 OG1 THR A 57 117.235 4.706 -7.737 1.00 0.00 O ATOM 908 CG2 THR A 57 116.905 3.609 -5.623 1.00 0.00 C ATOM 0 H THR A 57 117.034 4.990 -4.174 1.00 0.00 H new ATOM 0 HA THR A 57 119.319 5.807 -5.730 1.00 0.00 H new ATOM 0 HB THR A 57 118.770 3.841 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 57 116.533 4.044 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.648 2.680 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.385 3.381 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.999 4.187 -5.443 1.00 0.00 H new ATOM 916 N PRO A 58 118.300 7.252 -7.682 1.00 0.00 N ATOM 917 CA PRO A 58 117.860 8.380 -8.545 1.00 0.00 C ATOM 918 C PRO A 58 116.333 8.494 -8.596 1.00 0.00 C ATOM 919 O PRO A 58 115.647 7.580 -9.009 1.00 0.00 O ATOM 920 CB PRO A 58 118.431 8.006 -9.911 1.00 0.00 C ATOM 921 CG PRO A 58 119.683 7.237 -9.612 1.00 0.00 C ATOM 922 CD PRO A 58 119.495 6.591 -8.229 1.00 0.00 C ATOM 0 HA PRO A 58 118.201 9.350 -8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.725 7.403 -10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.646 8.894 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.859 6.476 -10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.551 7.897 -9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.353 5.513 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.365 6.751 -7.593 1.00 0.00 H new ATOM 930 N LYS A 59 115.794 9.601 -8.162 1.00 0.00 N ATOM 931 CA LYS A 59 114.312 9.757 -8.168 1.00 0.00 C ATOM 932 C LYS A 59 113.828 10.218 -9.542 1.00 0.00 C ATOM 933 O LYS A 59 114.511 10.078 -10.537 1.00 0.00 O ATOM 934 CB LYS A 59 113.898 10.788 -7.115 1.00 0.00 C ATOM 935 CG LYS A 59 114.582 12.133 -7.406 1.00 0.00 C ATOM 936 CD LYS A 59 115.345 12.613 -6.166 1.00 0.00 C ATOM 937 CE LYS A 59 116.277 13.766 -6.550 1.00 0.00 C ATOM 938 NZ LYS A 59 117.532 13.216 -7.136 1.00 0.00 N ATOM 0 H LYS A 59 116.315 10.402 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 59 113.860 8.792 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.815 10.912 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 59 114.174 10.437 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 59 115.268 12.027 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.837 12.874 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.643 12.940 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.922 11.792 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.785 14.422 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.507 14.370 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.936 13.906 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 118.216 13.027 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.321 12.331 -7.640 1.00 0.00 H new ATOM 952 N ILE A 60 112.640 10.757 -9.596 1.00 0.00 N ATOM 953 CA ILE A 60 112.078 11.221 -10.895 1.00 0.00 C ATOM 954 C ILE A 60 110.995 12.270 -10.626 1.00 0.00 C ATOM 955 O ILE A 60 110.403 12.302 -9.566 1.00 0.00 O ATOM 956 CB ILE A 60 111.454 10.022 -11.631 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.197 8.891 -10.621 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.405 9.522 -12.724 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.156 7.908 -11.168 1.00 0.00 C ATOM 0 H ILE A 60 112.031 10.896 -8.790 1.00 0.00 H new ATOM 0 HA ILE A 60 112.868 11.657 -11.507 1.00 0.00 H new ATOM 0 HB ILE A 60 110.516 10.331 -12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.128 8.364 -10.411 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.849 9.311 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.954 8.674 -13.239 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.591 10.323 -13.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.348 9.213 -12.273 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.987 7.115 -10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.220 8.435 -11.354 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.519 7.474 -12.100 1.00 0.00 H new ATOM 971 N ALA A 61 110.723 13.121 -11.578 1.00 0.00 N ATOM 972 CA ALA A 61 109.670 14.154 -11.368 1.00 0.00 C ATOM 973 C ALA A 61 108.342 13.459 -11.069 1.00 0.00 C ATOM 974 O ALA A 61 107.507 13.294 -11.936 1.00 0.00 O ATOM 975 CB ALA A 61 109.523 15.007 -12.629 1.00 0.00 C ATOM 0 H ALA A 61 111.183 13.145 -12.488 1.00 0.00 H new ATOM 0 HA ALA A 61 109.950 14.795 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.752 15.761 -12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.471 15.498 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.241 14.371 -13.468 1.00 0.00 H new ATOM 981 N CYS A 62 108.145 13.045 -9.847 1.00 0.00 N ATOM 982 CA CYS A 62 106.876 12.355 -9.482 1.00 0.00 C ATOM 983 C CYS A 62 105.690 13.087 -10.119 1.00 0.00 C ATOM 984 O CYS A 62 105.078 12.602 -11.049 1.00 0.00 O ATOM 985 CB CYS A 62 106.735 12.347 -7.953 1.00 0.00 C ATOM 986 SG CYS A 62 107.022 10.673 -7.330 1.00 0.00 S ATOM 0 H CYS A 62 108.812 13.156 -9.083 1.00 0.00 H new ATOM 0 HA CYS A 62 106.891 11.329 -9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.449 13.040 -7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.740 12.687 -7.667 1.00 0.00 H new ATOM 991 N LYS A 63 105.366 14.251 -9.631 1.00 0.00 N ATOM 992 CA LYS A 63 104.226 15.010 -10.217 1.00 0.00 C ATOM 993 C LYS A 63 104.695 15.717 -11.488 1.00 0.00 C ATOM 994 O LYS A 63 104.290 15.389 -12.586 1.00 0.00 O ATOM 995 CB LYS A 63 103.734 16.050 -9.206 1.00 0.00 C ATOM 996 CG LYS A 63 102.862 15.371 -8.141 1.00 0.00 C ATOM 997 CD LYS A 63 101.407 15.322 -8.616 1.00 0.00 C ATOM 998 CE LYS A 63 100.625 14.320 -7.765 1.00 0.00 C ATOM 999 NZ LYS A 63 99.222 14.235 -8.262 1.00 0.00 N ATOM 0 H LYS A 63 105.840 14.710 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 63 103.413 14.325 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.584 16.541 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 103.162 16.825 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 103.226 14.362 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.929 15.918 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.955 16.311 -8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.366 15.033 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 63 101.099 13.339 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.634 14.629 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 98.690 13.554 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 98.773 15.171 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 99.223 13.921 -9.253 1.00 0.00 H new ATOM 1013 N ASN A 64 105.555 16.680 -11.338 1.00 0.00 N ATOM 1014 CA ASN A 64 106.079 17.424 -12.517 1.00 0.00 C ATOM 1015 C ASN A 64 107.439 18.000 -12.137 1.00 0.00 C ATOM 1016 O ASN A 64 107.921 18.949 -12.722 1.00 0.00 O ATOM 1017 CB ASN A 64 105.119 18.560 -12.873 1.00 0.00 C ATOM 1018 CG ASN A 64 105.406 19.047 -14.295 1.00 0.00 C ATOM 1019 OD1 ASN A 64 105.544 18.253 -15.205 1.00 0.00 O ATOM 1020 ND2 ASN A 64 105.501 20.328 -14.527 1.00 0.00 N ATOM 0 H ASN A 64 105.923 16.989 -10.438 1.00 0.00 H new ATOM 0 HA ASN A 64 106.173 16.762 -13.378 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.088 18.216 -12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.234 19.382 -12.166 1.00 0.00 H new ATOM 0 HD21 ASN A 64 105.691 20.662 -15.472 1.00 0.00 H new ATOM 0 HD22 ASN A 64 105.385 20.995 -13.764 1.00 0.00 H new ATOM 1027 N GLY A 65 108.046 17.423 -11.141 1.00 0.00 N ATOM 1028 CA GLY A 65 109.371 17.907 -10.670 1.00 0.00 C ATOM 1029 C GLY A 65 109.479 17.631 -9.172 1.00 0.00 C ATOM 1030 O GLY A 65 110.433 18.014 -8.524 1.00 0.00 O ATOM 0 H GLY A 65 107.675 16.625 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 110.173 17.401 -11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 109.478 18.974 -10.868 1.00 0.00 H new ATOM 1034 N ASP A 66 108.500 16.966 -8.617 1.00 0.00 N ATOM 1035 CA ASP A 66 108.534 16.659 -7.160 1.00 0.00 C ATOM 1036 C ASP A 66 109.833 15.927 -6.825 1.00 0.00 C ATOM 1037 O ASP A 66 110.394 16.097 -5.761 1.00 0.00 O ATOM 1038 CB ASP A 66 107.340 15.767 -6.800 1.00 0.00 C ATOM 1039 CG ASP A 66 106.162 16.635 -6.350 1.00 0.00 C ATOM 1040 OD1 ASP A 66 106.089 17.773 -6.785 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.352 16.147 -5.578 1.00 0.00 O ATOM 0 H ASP A 66 107.677 16.622 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 66 108.481 17.587 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 66 107.052 15.164 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.618 15.075 -6.005 1.00 0.00 H new ATOM 1046 N LYS A 67 110.313 15.108 -7.720 1.00 0.00 N ATOM 1047 CA LYS A 67 111.571 14.369 -7.439 1.00 0.00 C ATOM 1048 C LYS A 67 111.445 13.671 -6.083 1.00 0.00 C ATOM 1049 O LYS A 67 112.300 13.799 -5.229 1.00 0.00 O ATOM 1050 CB LYS A 67 112.737 15.362 -7.404 1.00 0.00 C ATOM 1051 CG LYS A 67 113.175 15.684 -8.834 1.00 0.00 C ATOM 1052 CD LYS A 67 114.267 16.756 -8.806 1.00 0.00 C ATOM 1053 CE LYS A 67 114.452 17.334 -10.211 1.00 0.00 C ATOM 1054 NZ LYS A 67 115.463 18.427 -10.169 1.00 0.00 N ATOM 0 H LYS A 67 109.889 14.921 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 67 111.752 13.626 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.436 16.275 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.571 14.941 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 67 113.547 14.784 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 67 112.323 16.034 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.996 17.548 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 115.204 16.326 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 67 114.775 16.552 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 67 113.503 17.716 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 115.589 18.820 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 115.137 19.177 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 116.370 18.048 -9.828 1.00 0.00 H new ATOM 1068 N ASN A 68 110.372 12.947 -5.872 1.00 0.00 N ATOM 1069 CA ASN A 68 110.180 12.257 -4.558 1.00 0.00 C ATOM 1070 C ASN A 68 110.037 10.740 -4.745 1.00 0.00 C ATOM 1071 O ASN A 68 109.949 10.004 -3.773 1.00 0.00 O ATOM 1072 CB ASN A 68 108.915 12.799 -3.889 1.00 0.00 C ATOM 1073 CG ASN A 68 109.171 14.222 -3.390 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.527 15.156 -3.824 1.00 0.00 O ATOM 1075 ND2 ASN A 68 110.092 14.428 -2.488 1.00 0.00 N ATOM 0 H ASN A 68 109.624 12.805 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 68 111.055 12.448 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.086 12.794 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.627 12.157 -3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 68 110.271 15.373 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.633 13.644 -2.123 1.00 0.00 H new ATOM 1082 N CYS A 69 110.017 10.257 -5.970 1.00 0.00 N ATOM 1083 CA CYS A 69 109.884 8.790 -6.189 1.00 0.00 C ATOM 1084 C CYS A 69 111.277 8.174 -6.254 1.00 0.00 C ATOM 1085 O CYS A 69 112.256 8.858 -6.455 1.00 0.00 O ATOM 1086 CB CYS A 69 109.141 8.521 -7.506 1.00 0.00 C ATOM 1087 SG CYS A 69 108.699 10.089 -8.292 1.00 0.00 S ATOM 0 H CYS A 69 110.087 10.818 -6.819 1.00 0.00 H new ATOM 0 HA CYS A 69 109.318 8.348 -5.369 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.769 7.933 -8.175 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.243 7.934 -7.314 1.00 0.00 H new ATOM 1092 N HIS A 70 111.372 6.890 -6.098 1.00 0.00 N ATOM 1093 CA HIS A 70 112.703 6.229 -6.158 1.00 0.00 C ATOM 1094 C HIS A 70 112.499 4.810 -6.662 1.00 0.00 C ATOM 1095 O HIS A 70 111.805 4.023 -6.052 1.00 0.00 O ATOM 1096 CB HIS A 70 113.315 6.174 -4.760 1.00 0.00 C ATOM 1097 CG HIS A 70 114.062 7.443 -4.457 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.440 7.470 -4.294 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.637 8.730 -4.263 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.791 8.739 -4.016 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.729 9.544 -3.986 1.00 0.00 N ATOM 0 H HIS A 70 110.584 6.264 -5.931 1.00 0.00 H new ATOM 0 HA HIS A 70 113.368 6.785 -6.819 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.530 6.023 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.991 5.322 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.611 9.062 -4.317 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.806 9.064 -3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.720 10.547 -3.799 1.00 0.00 H new ATOM 1110 N GLN A 71 113.084 4.477 -7.771 1.00 0.00 N ATOM 1111 CA GLN A 71 112.898 3.105 -8.319 1.00 0.00 C ATOM 1112 C GLN A 71 114.036 2.187 -7.874 1.00 0.00 C ATOM 1113 O GLN A 71 115.198 2.538 -7.921 1.00 0.00 O ATOM 1114 CB GLN A 71 112.812 3.180 -9.848 1.00 0.00 C ATOM 1115 CG GLN A 71 113.623 2.054 -10.502 1.00 0.00 C ATOM 1116 CD GLN A 71 113.353 2.042 -12.008 1.00 0.00 C ATOM 1117 OE1 GLN A 71 112.522 2.782 -12.494 1.00 0.00 O ATOM 1118 NE2 GLN A 71 114.026 1.225 -12.772 1.00 0.00 N ATOM 0 H GLN A 71 113.682 5.091 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 71 111.970 2.683 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.770 3.111 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 71 113.184 4.146 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.687 2.200 -10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.351 1.093 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 71 114.724 0.603 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.854 1.208 -13.777 1.00 0.00 H new ATOM 1127 N SER A 72 113.690 1.002 -7.447 1.00 0.00 N ATOM 1128 CA SER A 72 114.721 0.030 -6.996 1.00 0.00 C ATOM 1129 C SER A 72 115.791 -0.118 -8.082 1.00 0.00 C ATOM 1130 O SER A 72 115.549 0.139 -9.244 1.00 0.00 O ATOM 1131 CB SER A 72 114.055 -1.326 -6.739 1.00 0.00 C ATOM 1132 OG SER A 72 112.858 -1.408 -7.500 1.00 0.00 O ATOM 0 H SER A 72 112.729 0.666 -7.392 1.00 0.00 H new ATOM 0 HA SER A 72 115.188 0.386 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 72 114.731 -2.135 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.835 -1.441 -5.678 1.00 0.00 H new ATOM 0 HG SER A 72 112.110 -1.059 -6.972 1.00 0.00 H new ATOM 1138 N HIS A 73 116.970 -0.534 -7.711 1.00 0.00 N ATOM 1139 CA HIS A 73 118.055 -0.703 -8.720 1.00 0.00 C ATOM 1140 C HIS A 73 117.948 -2.096 -9.345 1.00 0.00 C ATOM 1141 O HIS A 73 118.918 -2.650 -9.823 1.00 0.00 O ATOM 1142 CB HIS A 73 119.414 -0.559 -8.028 1.00 0.00 C ATOM 1143 CG HIS A 73 119.866 0.877 -8.073 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.665 1.682 -9.186 1.00 0.00 N ATOM 1145 CD2 HIS A 73 120.517 1.663 -7.154 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.186 2.893 -8.911 1.00 0.00 C ATOM 1147 NE2 HIS A 73 120.716 2.931 -7.688 1.00 0.00 N ATOM 0 H HIS A 73 117.230 -0.765 -6.752 1.00 0.00 H new ATOM 0 HA HIS A 73 117.958 0.055 -9.497 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.342 -0.894 -6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 73 120.150 -1.196 -8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 73 120.826 1.345 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 73 120.176 3.729 -9.595 1.00 0.00 H new ATOM 0 HE2 HIS A 73 121.172 3.725 -7.238 1.00 0.00 H new ATOM 1156 N GLY A 74 116.778 -2.667 -9.342 1.00 0.00 N ATOM 1157 CA GLY A 74 116.614 -4.025 -9.932 1.00 0.00 C ATOM 1158 C GLY A 74 115.254 -4.597 -9.530 1.00 0.00 C ATOM 1159 O GLY A 74 114.444 -3.923 -8.926 1.00 0.00 O ATOM 0 H GLY A 74 115.928 -2.254 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.691 -3.973 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.413 -4.682 -9.587 1.00 0.00 H new ATOM 1163 N PRO A 75 115.006 -5.833 -9.868 1.00 0.00 N ATOM 1164 CA PRO A 75 113.721 -6.512 -9.545 1.00 0.00 C ATOM 1165 C PRO A 75 113.632 -6.927 -8.072 1.00 0.00 C ATOM 1166 O PRO A 75 114.451 -7.678 -7.581 1.00 0.00 O ATOM 1167 CB PRO A 75 113.729 -7.744 -10.454 1.00 0.00 C ATOM 1168 CG PRO A 75 115.173 -8.053 -10.682 1.00 0.00 C ATOM 1169 CD PRO A 75 115.927 -6.722 -10.597 1.00 0.00 C ATOM 0 HA PRO A 75 112.864 -5.857 -9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.216 -8.583 -9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.216 -7.543 -11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.541 -8.755 -9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.320 -8.519 -11.656 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.874 -6.834 -10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.158 -6.331 -11.588 1.00 0.00 H new ATOM 1177 N VAL A 76 112.637 -6.450 -7.366 1.00 0.00 N ATOM 1178 CA VAL A 76 112.487 -6.822 -5.930 1.00 0.00 C ATOM 1179 C VAL A 76 111.319 -7.799 -5.807 1.00 0.00 C ATOM 1180 O VAL A 76 110.299 -7.642 -6.452 1.00 0.00 O ATOM 1181 CB VAL A 76 112.201 -5.560 -5.095 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.455 -4.539 -5.948 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.357 -5.923 -3.866 1.00 0.00 C ATOM 0 H VAL A 76 111.922 -5.818 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 76 113.403 -7.285 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 76 113.146 -5.132 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.254 -3.647 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.065 -4.271 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.513 -4.968 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.160 -5.024 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.412 -6.360 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.899 -6.643 -3.253 1.00 0.00 H new ATOM 1193 N SER A 77 111.452 -8.798 -4.982 1.00 0.00 N ATOM 1194 CA SER A 77 110.339 -9.767 -4.818 1.00 0.00 C ATOM 1195 C SER A 77 109.139 -9.021 -4.243 1.00 0.00 C ATOM 1196 O SER A 77 108.923 -9.000 -3.056 1.00 0.00 O ATOM 1197 CB SER A 77 110.761 -10.880 -3.858 1.00 0.00 C ATOM 1198 OG SER A 77 109.712 -11.833 -3.752 1.00 0.00 O ATOM 0 H SER A 77 112.280 -8.984 -4.417 1.00 0.00 H new ATOM 0 HA SER A 77 110.082 -10.212 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.670 -11.362 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.989 -10.463 -2.877 1.00 0.00 H new ATOM 0 HG SER A 77 109.981 -12.548 -3.138 1.00 0.00 H new ATOM 1204 N LEU A 78 108.363 -8.394 -5.076 1.00 0.00 N ATOM 1205 CA LEU A 78 107.189 -7.636 -4.573 1.00 0.00 C ATOM 1206 C LEU A 78 105.948 -8.524 -4.605 1.00 0.00 C ATOM 1207 O LEU A 78 106.003 -9.673 -4.997 1.00 0.00 O ATOM 1208 CB LEU A 78 106.965 -6.416 -5.455 1.00 0.00 C ATOM 1209 CG LEU A 78 106.620 -6.852 -6.881 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.139 -7.247 -6.985 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.897 -5.688 -7.823 1.00 0.00 C ATOM 0 H LEU A 78 108.491 -8.374 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 78 107.375 -7.319 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.158 -5.807 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.861 -5.795 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 78 107.228 -7.716 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.915 -7.554 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.934 -8.074 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.515 -6.394 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.656 -5.982 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.283 -4.834 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.950 -5.414 -7.763 1.00 0.00 H new ATOM 1223 N THR A 79 104.828 -7.997 -4.197 1.00 0.00 N ATOM 1224 CA THR A 79 103.575 -8.799 -4.200 1.00 0.00 C ATOM 1225 C THR A 79 102.399 -7.915 -4.607 1.00 0.00 C ATOM 1226 O THR A 79 101.961 -7.064 -3.862 1.00 0.00 O ATOM 1227 CB THR A 79 103.338 -9.356 -2.798 1.00 0.00 C ATOM 1228 OG1 THR A 79 103.993 -10.610 -2.676 1.00 0.00 O ATOM 1229 CG2 THR A 79 101.845 -9.541 -2.539 1.00 0.00 C ATOM 0 H THR A 79 104.727 -7.040 -3.860 1.00 0.00 H new ATOM 0 HA THR A 79 103.666 -9.620 -4.912 1.00 0.00 H new ATOM 0 HB THR A 79 103.736 -8.651 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 79 104.936 -10.512 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.696 -9.939 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.339 -8.580 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.432 -10.237 -3.270 1.00 0.00 H new ATOM 1237 N MET A 80 101.875 -8.117 -5.779 1.00 0.00 N ATOM 1238 CA MET A 80 100.714 -7.292 -6.215 1.00 0.00 C ATOM 1239 C MET A 80 99.416 -7.961 -5.757 1.00 0.00 C ATOM 1240 O MET A 80 99.011 -8.977 -6.289 1.00 0.00 O ATOM 1241 CB MET A 80 100.707 -7.168 -7.741 1.00 0.00 C ATOM 1242 CG MET A 80 102.139 -7.009 -8.249 1.00 0.00 C ATOM 1243 SD MET A 80 102.119 -6.753 -10.041 1.00 0.00 S ATOM 1244 CE MET A 80 101.887 -4.958 -10.018 1.00 0.00 C ATOM 0 H MET A 80 102.196 -8.813 -6.452 1.00 0.00 H new ATOM 0 HA MET A 80 100.794 -6.299 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.249 -8.051 -8.186 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.106 -6.311 -8.044 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.619 -6.164 -7.756 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.724 -7.896 -8.004 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.217 -4.667 -10.827 1.00 0.00 H new ATOM 0 HE2 MET A 80 101.454 -4.659 -9.064 1.00 0.00 H new ATOM 0 HE3 MET A 80 102.850 -4.465 -10.149 1.00 0.00 H new ATOM 1254 N CYS A 81 98.753 -7.401 -4.778 1.00 0.00 N ATOM 1255 CA CYS A 81 97.479 -8.009 -4.308 1.00 0.00 C ATOM 1256 C CYS A 81 96.315 -7.333 -5.022 1.00 0.00 C ATOM 1257 O CYS A 81 96.379 -6.166 -5.351 1.00 0.00 O ATOM 1258 CB CYS A 81 97.323 -7.800 -2.804 1.00 0.00 C ATOM 1259 SG CYS A 81 98.913 -8.048 -1.986 1.00 0.00 S ATOM 0 H CYS A 81 99.039 -6.554 -4.288 1.00 0.00 H new ATOM 0 HA CYS A 81 97.490 -9.077 -4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 81 96.953 -6.794 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.586 -8.496 -2.405 1.00 0.00 H new ATOM 1264 N LYS A 82 95.247 -8.045 -5.260 1.00 0.00 N ATOM 1265 CA LYS A 82 94.088 -7.434 -5.943 1.00 0.00 C ATOM 1266 C LYS A 82 92.816 -7.807 -5.180 1.00 0.00 C ATOM 1267 O LYS A 82 92.764 -8.818 -4.508 1.00 0.00 O ATOM 1268 CB LYS A 82 94.018 -7.949 -7.387 1.00 0.00 C ATOM 1269 CG LYS A 82 93.014 -9.097 -7.476 1.00 0.00 C ATOM 1270 CD LYS A 82 93.169 -9.814 -8.818 1.00 0.00 C ATOM 1271 CE LYS A 82 92.031 -10.821 -8.994 1.00 0.00 C ATOM 1272 NZ LYS A 82 90.768 -10.094 -9.306 1.00 0.00 N ATOM 0 H LYS A 82 95.134 -9.027 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 82 94.189 -6.349 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.722 -7.142 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.002 -8.288 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.175 -9.798 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.999 -8.714 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.157 -9.090 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.131 -10.325 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.269 -11.519 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 82 91.909 -11.410 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.080 -10.755 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.376 -9.688 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.965 -9.331 -9.984 1.00 0.00 H new ATOM 1286 N LEU A 83 91.790 -7.011 -5.275 1.00 0.00 N ATOM 1287 CA LEU A 83 90.541 -7.356 -4.547 1.00 0.00 C ATOM 1288 C LEU A 83 89.824 -8.464 -5.297 1.00 0.00 C ATOM 1289 O LEU A 83 89.280 -8.264 -6.365 1.00 0.00 O ATOM 1290 CB LEU A 83 89.615 -6.139 -4.432 1.00 0.00 C ATOM 1291 CG LEU A 83 88.259 -6.572 -3.853 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.477 -7.452 -2.625 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.455 -5.342 -3.430 1.00 0.00 C ATOM 0 H LEU A 83 91.761 -6.148 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 83 90.802 -7.683 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.070 -5.383 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.474 -5.684 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 83 87.716 -7.126 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.512 -7.756 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.046 -8.337 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.028 -6.892 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.495 -5.658 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.009 -4.789 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.287 -4.702 -4.296 1.00 0.00 H new ATOM 1305 N THR A 84 89.817 -9.631 -4.738 1.00 0.00 N ATOM 1306 CA THR A 84 89.132 -10.764 -5.405 1.00 0.00 C ATOM 1307 C THR A 84 87.628 -10.502 -5.389 1.00 0.00 C ATOM 1308 O THR A 84 86.969 -10.597 -6.404 1.00 0.00 O ATOM 1309 CB THR A 84 89.453 -12.064 -4.664 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.756 -12.086 -3.428 1.00 0.00 O ATOM 1311 CG2 THR A 84 90.964 -12.151 -4.404 1.00 0.00 C ATOM 0 H THR A 84 90.257 -9.853 -3.845 1.00 0.00 H new ATOM 0 HA THR A 84 89.474 -10.858 -6.436 1.00 0.00 H new ATOM 0 HB THR A 84 89.143 -12.914 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.298 -11.647 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.190 -13.078 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.498 -12.135 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.278 -11.302 -3.797 1.00 0.00 H new ATOM 1319 N SER A 85 87.081 -10.152 -4.248 1.00 0.00 N ATOM 1320 CA SER A 85 85.608 -9.863 -4.186 1.00 0.00 C ATOM 1321 C SER A 85 85.106 -10.002 -2.748 1.00 0.00 C ATOM 1322 O SER A 85 85.755 -10.589 -1.910 1.00 0.00 O ATOM 1323 CB SER A 85 84.842 -10.847 -5.081 1.00 0.00 C ATOM 1324 OG SER A 85 85.565 -12.068 -5.166 1.00 0.00 O ATOM 0 H SER A 85 87.583 -10.054 -3.365 1.00 0.00 H new ATOM 0 HA SER A 85 85.439 -8.844 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 85 83.847 -11.028 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.706 -10.422 -6.075 1.00 0.00 H new ATOM 0 HG SER A 85 86.080 -12.086 -6.000 1.00 0.00 H new ATOM 1330 N GLY A 86 83.941 -9.474 -2.460 1.00 0.00 N ATOM 1331 CA GLY A 86 83.389 -9.590 -1.077 1.00 0.00 C ATOM 1332 C GLY A 86 82.822 -8.241 -0.617 1.00 0.00 C ATOM 1333 O GLY A 86 82.222 -8.142 0.430 1.00 0.00 O ATOM 0 H GLY A 86 83.351 -8.969 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.607 -10.349 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.171 -9.916 -0.392 1.00 0.00 H new ATOM 1337 N LYS A 87 83.019 -7.213 -1.400 1.00 0.00 N ATOM 1338 CA LYS A 87 82.510 -5.841 -1.054 1.00 0.00 C ATOM 1339 C LYS A 87 83.547 -5.108 -0.215 1.00 0.00 C ATOM 1340 O LYS A 87 84.690 -5.496 -0.155 1.00 0.00 O ATOM 1341 CB LYS A 87 81.192 -5.905 -0.274 1.00 0.00 C ATOM 1342 CG LYS A 87 80.151 -6.660 -1.091 1.00 0.00 C ATOM 1343 CD LYS A 87 79.085 -7.245 -0.161 1.00 0.00 C ATOM 1344 CE LYS A 87 77.863 -7.661 -0.981 1.00 0.00 C ATOM 1345 NZ LYS A 87 76.943 -8.466 -0.129 1.00 0.00 N ATOM 0 H LYS A 87 83.522 -7.263 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 87 82.330 -5.309 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.348 -6.402 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.837 -4.898 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 87 79.687 -5.989 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 87 80.630 -7.458 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 87 79.487 -8.105 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.799 -6.508 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.347 -6.778 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.175 -8.243 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.112 -8.749 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 77.438 -9.315 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 76.636 -7.896 0.685 1.00 0.00 H new ATOM 1359 N TYR A 88 83.161 -4.050 0.438 1.00 0.00 N ATOM 1360 CA TYR A 88 84.150 -3.304 1.269 1.00 0.00 C ATOM 1361 C TYR A 88 84.212 -3.917 2.674 1.00 0.00 C ATOM 1362 O TYR A 88 85.278 -4.171 3.195 1.00 0.00 O ATOM 1363 CB TYR A 88 83.778 -1.812 1.338 1.00 0.00 C ATOM 1364 CG TYR A 88 84.095 -1.274 2.714 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.352 -1.515 3.285 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.126 -0.568 3.429 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.633 -1.052 4.575 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.409 -0.098 4.716 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.661 -0.344 5.291 1.00 0.00 C ATOM 1370 OH TYR A 88 84.936 0.109 6.565 1.00 0.00 O ATOM 0 H TYR A 88 82.214 -3.670 0.435 1.00 0.00 H new ATOM 0 HA TYR A 88 85.135 -3.383 0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.330 -1.254 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.718 -1.681 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.103 -2.058 2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.157 -0.384 2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.600 -1.241 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.661 0.455 5.266 1.00 0.00 H new ATOM 0 HH TYR A 88 84.154 0.582 6.920 1.00 0.00 H new ATOM 1380 N PRO A 89 83.090 -4.161 3.288 1.00 0.00 N ATOM 1381 CA PRO A 89 83.052 -4.763 4.641 1.00 0.00 C ATOM 1382 C PRO A 89 83.258 -6.273 4.568 1.00 0.00 C ATOM 1383 O PRO A 89 83.148 -6.980 5.550 1.00 0.00 O ATOM 1384 CB PRO A 89 81.653 -4.414 5.142 1.00 0.00 C ATOM 1385 CG PRO A 89 80.813 -4.344 3.908 1.00 0.00 C ATOM 1386 CD PRO A 89 81.739 -3.897 2.774 1.00 0.00 C ATOM 0 HA PRO A 89 83.838 -4.394 5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.280 -5.170 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.650 -3.465 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.369 -5.314 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 89 79.991 -3.640 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.545 -4.455 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.601 -2.841 2.540 1.00 0.00 H new ATOM 1394 N ASN A 90 83.551 -6.767 3.397 1.00 0.00 N ATOM 1395 CA ASN A 90 83.761 -8.231 3.234 1.00 0.00 C ATOM 1396 C ASN A 90 84.682 -8.491 2.035 1.00 0.00 C ATOM 1397 O ASN A 90 84.568 -9.495 1.370 1.00 0.00 O ATOM 1398 CB ASN A 90 82.396 -8.882 2.988 1.00 0.00 C ATOM 1399 CG ASN A 90 81.906 -9.569 4.266 1.00 0.00 C ATOM 1400 OD1 ASN A 90 81.056 -9.049 4.962 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.410 -10.724 4.606 1.00 0.00 N ATOM 0 H ASN A 90 83.654 -6.217 2.544 1.00 0.00 H new ATOM 0 HA ASN A 90 84.224 -8.649 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.676 -8.128 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.471 -9.610 2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.090 -11.190 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 90 83.123 -11.161 4.022 1.00 0.00 H new ATOM 1408 N CYS A 91 85.586 -7.594 1.748 1.00 0.00 N ATOM 1409 CA CYS A 91 86.492 -7.787 0.576 1.00 0.00 C ATOM 1410 C CYS A 91 87.654 -8.717 0.931 1.00 0.00 C ATOM 1411 O CYS A 91 88.383 -8.489 1.875 1.00 0.00 O ATOM 1412 CB CYS A 91 87.062 -6.425 0.162 1.00 0.00 C ATOM 1413 SG CYS A 91 86.829 -5.249 1.512 1.00 0.00 S ATOM 0 H CYS A 91 85.738 -6.734 2.275 1.00 0.00 H new ATOM 0 HA CYS A 91 85.920 -8.233 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.122 -6.518 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.563 -6.067 -0.738 1.00 0.00 H new ATOM 1418 N ARG A 92 87.852 -9.739 0.142 1.00 0.00 N ATOM 1419 CA ARG A 92 88.991 -10.672 0.374 1.00 0.00 C ATOM 1420 C ARG A 92 89.960 -10.493 -0.793 1.00 0.00 C ATOM 1421 O ARG A 92 89.547 -10.424 -1.945 1.00 0.00 O ATOM 1422 CB ARG A 92 88.493 -12.121 0.432 1.00 0.00 C ATOM 1423 CG ARG A 92 87.329 -12.307 -0.539 1.00 0.00 C ATOM 1424 CD ARG A 92 87.084 -13.801 -0.764 1.00 0.00 C ATOM 1425 NE ARG A 92 88.293 -14.415 -1.380 1.00 0.00 N ATOM 1426 CZ ARG A 92 88.197 -15.551 -2.016 1.00 0.00 C ATOM 1427 NH1 ARG A 92 87.040 -16.148 -2.113 1.00 0.00 N ATOM 1428 NH2 ARG A 92 89.256 -16.089 -2.555 1.00 0.00 N ATOM 0 H ARG A 92 87.267 -9.969 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 92 89.480 -10.455 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.303 -12.804 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.176 -12.366 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.430 -11.837 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.551 -11.817 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.857 -14.290 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.219 -13.945 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 92 89.197 -13.948 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.212 -15.727 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 92 86.964 -17.036 -2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 92 90.160 -15.622 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 92 89.180 -16.977 -3.052 1.00 0.00 H new ATOM 1442 N TYR A 93 91.235 -10.372 -0.510 1.00 0.00 N ATOM 1443 CA TYR A 93 92.227 -10.150 -1.600 1.00 0.00 C ATOM 1444 C TYR A 93 93.100 -11.382 -1.809 1.00 0.00 C ATOM 1445 O TYR A 93 93.208 -12.246 -0.964 1.00 0.00 O ATOM 1446 CB TYR A 93 93.136 -8.982 -1.221 1.00 0.00 C ATOM 1447 CG TYR A 93 92.313 -7.732 -1.039 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.447 -7.613 0.056 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.420 -6.690 -1.963 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.690 -6.452 0.223 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.664 -5.529 -1.794 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.801 -5.409 -0.703 1.00 0.00 C ATOM 1453 OH TYR A 93 90.067 -4.259 -0.541 1.00 0.00 O ATOM 0 H TYR A 93 91.628 -10.418 0.430 1.00 0.00 H new ATOM 0 HA TYR A 93 91.679 -9.940 -2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.674 -9.211 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.885 -8.825 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.365 -8.419 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.087 -6.783 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.020 -6.359 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.747 -4.723 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 93 90.063 -4.004 0.405 1.00 0.00 H new ATOM 1463 N LYS A 94 93.750 -11.430 -2.935 1.00 0.00 N ATOM 1464 CA LYS A 94 94.666 -12.553 -3.252 1.00 0.00 C ATOM 1465 C LYS A 94 96.061 -11.958 -3.416 1.00 0.00 C ATOM 1466 O LYS A 94 96.228 -10.918 -4.026 1.00 0.00 O ATOM 1467 CB LYS A 94 94.223 -13.228 -4.558 1.00 0.00 C ATOM 1468 CG LYS A 94 93.455 -14.516 -4.245 1.00 0.00 C ATOM 1469 CD LYS A 94 94.439 -15.634 -3.888 1.00 0.00 C ATOM 1470 CE LYS A 94 93.720 -16.984 -3.943 1.00 0.00 C ATOM 1471 NZ LYS A 94 92.654 -17.022 -2.903 1.00 0.00 N ATOM 0 H LYS A 94 93.682 -10.721 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 94 94.657 -13.304 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.593 -12.549 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.093 -13.454 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.766 -14.347 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 94 92.853 -14.810 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.279 -15.629 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.848 -15.468 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 94 93.285 -17.136 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.431 -17.794 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 92.304 -17.996 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 93.043 -16.696 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 91.870 -16.400 -3.187 1.00 0.00 H new ATOM 1485 N GLU A 95 97.058 -12.585 -2.862 1.00 0.00 N ATOM 1486 CA GLU A 95 98.433 -12.027 -2.970 1.00 0.00 C ATOM 1487 C GLU A 95 99.143 -12.617 -4.192 1.00 0.00 C ATOM 1488 O GLU A 95 99.236 -13.818 -4.352 1.00 0.00 O ATOM 1489 CB GLU A 95 99.209 -12.362 -1.685 1.00 0.00 C ATOM 1490 CG GLU A 95 99.968 -13.681 -1.847 1.00 0.00 C ATOM 1491 CD GLU A 95 100.488 -14.142 -0.484 1.00 0.00 C ATOM 1492 OE1 GLU A 95 99.769 -13.979 0.488 1.00 0.00 O ATOM 1493 OE2 GLU A 95 101.596 -14.650 -0.435 1.00 0.00 O ATOM 0 H GLU A 95 96.981 -13.458 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 95 98.384 -10.945 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 95 99.909 -11.558 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.519 -12.433 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.312 -14.440 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 95 100.799 -13.552 -2.540 1.00 0.00 H new ATOM 1500 N LYS A 96 99.657 -11.778 -5.050 1.00 0.00 N ATOM 1501 CA LYS A 96 100.379 -12.285 -6.251 1.00 0.00 C ATOM 1502 C LYS A 96 101.860 -11.942 -6.102 1.00 0.00 C ATOM 1503 O LYS A 96 102.253 -10.801 -6.206 1.00 0.00 O ATOM 1504 CB LYS A 96 99.821 -11.607 -7.504 1.00 0.00 C ATOM 1505 CG LYS A 96 100.282 -12.369 -8.747 1.00 0.00 C ATOM 1506 CD LYS A 96 99.948 -11.556 -9.999 1.00 0.00 C ATOM 1507 CE LYS A 96 100.373 -12.337 -11.244 1.00 0.00 C ATOM 1508 NZ LYS A 96 100.344 -11.436 -12.430 1.00 0.00 N ATOM 0 H LYS A 96 99.608 -10.762 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 96 100.250 -13.364 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.732 -11.583 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.161 -10.572 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.355 -12.553 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 96 99.793 -13.342 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 96 98.879 -11.347 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.460 -10.594 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.375 -12.743 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.705 -13.184 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 100.633 -11.967 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.380 -11.069 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 100.999 -10.642 -12.279 1.00 0.00 H new ATOM 1522 N ARG A 97 102.684 -12.918 -5.849 1.00 0.00 N ATOM 1523 CA ARG A 97 104.138 -12.638 -5.679 1.00 0.00 C ATOM 1524 C ARG A 97 104.797 -12.392 -7.035 1.00 0.00 C ATOM 1525 O ARG A 97 104.968 -13.298 -7.826 1.00 0.00 O ATOM 1526 CB ARG A 97 104.815 -13.833 -5.000 1.00 0.00 C ATOM 1527 CG ARG A 97 106.336 -13.731 -5.177 1.00 0.00 C ATOM 1528 CD ARG A 97 107.037 -14.528 -4.075 1.00 0.00 C ATOM 1529 NE ARG A 97 108.441 -14.815 -4.486 1.00 0.00 N ATOM 1530 CZ ARG A 97 108.689 -15.782 -5.327 1.00 0.00 C ATOM 1531 NH1 ARG A 97 107.709 -16.498 -5.806 1.00 0.00 N ATOM 1532 NH2 ARG A 97 109.918 -16.033 -5.687 1.00 0.00 N ATOM 0 H ARG A 97 102.415 -13.897 -5.752 1.00 0.00 H new ATOM 0 HA ARG A 97 104.251 -11.747 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.563 -13.853 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.450 -14.765 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.625 -14.114 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.647 -12.687 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.028 -13.965 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.503 -15.460 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 97 109.207 -14.256 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 97 106.749 -16.302 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 97 107.903 -17.254 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.684 -15.474 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 97 110.113 -16.788 -6.344 1.00 0.00 H new ATOM 1546 N GLN A 98 105.193 -11.174 -7.296 1.00 0.00 N ATOM 1547 CA GLN A 98 105.874 -10.865 -8.588 1.00 0.00 C ATOM 1548 C GLN A 98 107.261 -10.292 -8.275 1.00 0.00 C ATOM 1549 O GLN A 98 107.554 -9.955 -7.150 1.00 0.00 O ATOM 1550 CB GLN A 98 105.041 -9.842 -9.377 1.00 0.00 C ATOM 1551 CG GLN A 98 104.277 -10.549 -10.502 1.00 0.00 C ATOM 1552 CD GLN A 98 105.267 -11.081 -11.540 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.451 -10.823 -11.455 1.00 0.00 O ATOM 1554 NE2 GLN A 98 104.829 -11.817 -12.524 1.00 0.00 N ATOM 0 H GLN A 98 105.074 -10.378 -6.669 1.00 0.00 H new ATOM 0 HA GLN A 98 105.975 -11.767 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.341 -9.338 -8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.692 -9.074 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 98 103.686 -11.369 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.579 -9.856 -10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.835 -12.034 -12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 98 105.481 -12.176 -13.222 1.00 0.00 H new ATOM 1563 N ASN A 99 108.115 -10.183 -9.257 1.00 0.00 N ATOM 1564 CA ASN A 99 109.484 -9.627 -9.013 1.00 0.00 C ATOM 1565 C ASN A 99 109.758 -8.538 -10.038 1.00 0.00 C ATOM 1566 O ASN A 99 109.953 -8.806 -11.206 1.00 0.00 O ATOM 1567 CB ASN A 99 110.523 -10.741 -9.158 1.00 0.00 C ATOM 1568 CG ASN A 99 110.080 -11.962 -8.349 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.159 -12.657 -8.732 1.00 0.00 O ATOM 1570 ND2 ASN A 99 110.701 -12.255 -7.240 1.00 0.00 N ATOM 0 H ASN A 99 107.926 -10.455 -10.222 1.00 0.00 H new ATOM 0 HA ASN A 99 109.543 -9.213 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.639 -11.010 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.495 -10.393 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 99 110.414 -13.067 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 99 111.474 -11.672 -6.919 1.00 0.00 H new ATOM 1577 N LYS A 100 109.774 -7.309 -9.611 1.00 0.00 N ATOM 1578 CA LYS A 100 110.028 -6.193 -10.563 1.00 0.00 C ATOM 1579 C LYS A 100 110.570 -4.993 -9.791 1.00 0.00 C ATOM 1580 O LYS A 100 110.342 -4.853 -8.606 1.00 0.00 O ATOM 1581 CB LYS A 100 108.719 -5.795 -11.267 1.00 0.00 C ATOM 1582 CG LYS A 100 107.770 -6.997 -11.359 1.00 0.00 C ATOM 1583 CD LYS A 100 106.446 -6.556 -11.987 1.00 0.00 C ATOM 1584 CE LYS A 100 105.787 -7.742 -12.695 1.00 0.00 C ATOM 1585 NZ LYS A 100 104.345 -7.444 -12.926 1.00 0.00 N ATOM 0 H LYS A 100 109.622 -7.027 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 100 110.753 -6.514 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.237 -4.985 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.937 -5.419 -12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.223 -7.787 -11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.594 -7.411 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.781 -6.165 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.621 -5.748 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.286 -7.935 -13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.891 -8.643 -12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 103.889 -8.263 -13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 103.881 -7.247 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 104.257 -6.614 -13.547 1.00 0.00 H new ATOM 1599 N SER A 101 111.272 -4.118 -10.453 1.00 0.00 N ATOM 1600 CA SER A 101 111.812 -2.922 -9.752 1.00 0.00 C ATOM 1601 C SER A 101 110.701 -1.880 -9.685 1.00 0.00 C ATOM 1602 O SER A 101 110.218 -1.419 -10.694 1.00 0.00 O ATOM 1603 CB SER A 101 113.008 -2.366 -10.528 1.00 0.00 C ATOM 1604 OG SER A 101 113.652 -3.427 -11.221 1.00 0.00 O ATOM 0 H SER A 101 111.495 -4.179 -11.447 1.00 0.00 H new ATOM 0 HA SER A 101 112.145 -3.183 -8.748 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.676 -1.604 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.708 -1.885 -9.845 1.00 0.00 H new ATOM 0 HG SER A 101 114.418 -3.074 -11.720 1.00 0.00 H new ATOM 1610 N TYR A 102 110.264 -1.532 -8.509 1.00 0.00 N ATOM 1611 CA TYR A 102 109.150 -0.553 -8.392 1.00 0.00 C ATOM 1612 C TYR A 102 109.673 0.827 -8.056 1.00 0.00 C ATOM 1613 O TYR A 102 110.860 1.061 -8.009 1.00 0.00 O ATOM 1614 CB TYR A 102 108.244 -0.995 -7.254 1.00 0.00 C ATOM 1615 CG TYR A 102 109.101 -1.342 -6.052 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.942 -0.380 -5.461 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.046 -2.628 -5.518 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.718 -0.719 -4.347 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.816 -2.958 -4.401 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.655 -2.007 -3.818 1.00 0.00 C ATOM 1621 OH TYR A 102 111.416 -2.340 -2.718 1.00 0.00 O ATOM 0 H TYR A 102 110.630 -1.883 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 102 108.619 -0.513 -9.343 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.542 -0.200 -7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.652 -1.859 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.988 0.620 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.406 -3.372 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.366 0.018 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.762 -3.954 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 102 110.954 -3.029 -2.197 1.00 0.00 H new ATOM 1631 N VAL A 103 108.772 1.734 -7.789 1.00 0.00 N ATOM 1632 CA VAL A 103 109.171 3.115 -7.414 1.00 0.00 C ATOM 1633 C VAL A 103 108.402 3.534 -6.180 1.00 0.00 C ATOM 1634 O VAL A 103 107.210 3.760 -6.223 1.00 0.00 O ATOM 1635 CB VAL A 103 108.843 4.075 -8.541 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.872 5.214 -8.580 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.857 3.295 -9.845 1.00 0.00 C ATOM 0 H VAL A 103 107.765 1.572 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 103 110.243 3.136 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 103 107.860 4.519 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.627 5.898 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.853 5.754 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.867 4.800 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.623 3.965 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.845 2.860 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 103 108.113 2.500 -9.801 1.00 0.00 H new ATOM 1647 N VAL A 104 109.079 3.657 -5.088 1.00 0.00 N ATOM 1648 CA VAL A 104 108.398 4.085 -3.840 1.00 0.00 C ATOM 1649 C VAL A 104 108.901 5.486 -3.479 1.00 0.00 C ATOM 1650 O VAL A 104 110.031 5.836 -3.758 1.00 0.00 O ATOM 1651 CB VAL A 104 108.670 3.066 -2.709 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.599 1.961 -3.213 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.310 3.751 -1.499 1.00 0.00 C ATOM 0 H VAL A 104 110.080 3.480 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 104 107.318 4.121 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 104 107.716 2.635 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.785 1.248 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.131 1.448 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.544 2.399 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.491 3.013 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.255 4.205 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.640 4.523 -1.121 1.00 0.00 H new ATOM 1663 N ALA A 105 108.074 6.297 -2.875 1.00 0.00 N ATOM 1664 CA ALA A 105 108.517 7.671 -2.519 1.00 0.00 C ATOM 1665 C ALA A 105 109.092 7.654 -1.111 1.00 0.00 C ATOM 1666 O ALA A 105 108.947 6.689 -0.387 1.00 0.00 O ATOM 1667 CB ALA A 105 107.327 8.632 -2.584 1.00 0.00 C ATOM 0 H ALA A 105 107.115 6.066 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 105 109.279 8.007 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.657 9.637 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.917 8.636 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.559 8.308 -1.882 1.00 0.00 H new ATOM 1673 N CYS A 106 109.775 8.696 -0.724 1.00 0.00 N ATOM 1674 CA CYS A 106 110.386 8.702 0.642 1.00 0.00 C ATOM 1675 C CYS A 106 110.029 9.982 1.402 1.00 0.00 C ATOM 1676 O CYS A 106 109.765 11.015 0.820 1.00 0.00 O ATOM 1677 CB CYS A 106 111.911 8.590 0.509 1.00 0.00 C ATOM 1678 SG CYS A 106 112.345 8.243 -1.212 1.00 0.00 S ATOM 0 H CYS A 106 109.937 9.534 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 106 109.993 7.854 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.384 9.517 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.286 7.797 1.156 1.00 0.00 H new ATOM 1683 N LYS A 107 110.031 9.914 2.712 1.00 0.00 N ATOM 1684 CA LYS A 107 109.703 11.117 3.529 1.00 0.00 C ATOM 1685 C LYS A 107 110.447 11.045 4.866 1.00 0.00 C ATOM 1686 O LYS A 107 110.872 9.986 5.296 1.00 0.00 O ATOM 1687 CB LYS A 107 108.191 11.161 3.788 1.00 0.00 C ATOM 1688 CG LYS A 107 107.508 11.971 2.685 1.00 0.00 C ATOM 1689 CD LYS A 107 106.019 12.125 3.007 1.00 0.00 C ATOM 1690 CE LYS A 107 105.262 12.538 1.743 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.436 11.493 0.695 1.00 0.00 N ATOM 0 H LYS A 107 110.247 9.074 3.248 1.00 0.00 H new ATOM 0 HA LYS A 107 110.007 12.015 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.786 10.149 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.991 11.610 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.975 12.952 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.633 11.473 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.621 11.186 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.881 12.873 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 107 104.204 12.670 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.633 13.497 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 105.907 11.908 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.017 10.717 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 104.505 11.123 0.415 1.00 0.00 H new ATOM 1705 N PRO A 108 110.597 12.167 5.522 1.00 0.00 N ATOM 1706 CA PRO A 108 111.288 12.236 6.839 1.00 0.00 C ATOM 1707 C PRO A 108 110.499 11.495 7.933 1.00 0.00 C ATOM 1708 O PRO A 108 109.299 11.646 8.044 1.00 0.00 O ATOM 1709 CB PRO A 108 111.357 13.738 7.147 1.00 0.00 C ATOM 1710 CG PRO A 108 110.278 14.362 6.324 1.00 0.00 C ATOM 1711 CD PRO A 108 110.133 13.493 5.077 1.00 0.00 C ATOM 0 HA PRO A 108 112.269 11.761 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.201 13.929 8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.334 14.147 6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.341 14.405 6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.537 15.386 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 108 109.101 13.460 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.736 13.872 4.252 1.00 0.00 H new ATOM 1719 N PRO A 109 111.167 10.707 8.738 1.00 0.00 N ATOM 1720 CA PRO A 109 110.511 9.946 9.838 1.00 0.00 C ATOM 1721 C PRO A 109 109.589 10.846 10.670 1.00 0.00 C ATOM 1722 O PRO A 109 110.041 11.665 11.445 1.00 0.00 O ATOM 1723 CB PRO A 109 111.681 9.428 10.682 1.00 0.00 C ATOM 1724 CG PRO A 109 112.887 9.460 9.801 1.00 0.00 C ATOM 1725 CD PRO A 109 112.613 10.467 8.686 1.00 0.00 C ATOM 0 HA PRO A 109 109.875 9.144 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.829 10.051 11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.486 8.416 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.770 9.749 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 109 113.085 8.472 9.385 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.172 11.390 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.913 10.072 7.715 1.00 0.00 H new ATOM 1733 N GLN A 110 108.301 10.706 10.503 1.00 0.00 N ATOM 1734 CA GLN A 110 107.347 11.560 11.268 1.00 0.00 C ATOM 1735 C GLN A 110 107.721 11.560 12.753 1.00 0.00 C ATOM 1736 O GLN A 110 108.596 12.286 13.182 1.00 0.00 O ATOM 1737 CB GLN A 110 105.929 11.009 11.101 1.00 0.00 C ATOM 1738 CG GLN A 110 105.581 10.931 9.614 1.00 0.00 C ATOM 1739 CD GLN A 110 105.267 12.332 9.086 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.215 12.875 9.359 1.00 0.00 O ATOM 1741 NE2 GLN A 110 106.142 12.945 8.337 1.00 0.00 N ATOM 0 H GLN A 110 107.868 10.035 9.868 1.00 0.00 H new ATOM 0 HA GLN A 110 107.394 12.580 10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.856 10.020 11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.216 11.650 11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.413 10.500 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.724 10.275 9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 110 107.025 12.489 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.943 13.880 7.981 1.00 0.00 H new ATOM 1750 N LYS A 111 107.061 10.752 13.538 1.00 0.00 N ATOM 1751 CA LYS A 111 107.367 10.696 14.998 1.00 0.00 C ATOM 1752 C LYS A 111 107.530 9.237 15.421 1.00 0.00 C ATOM 1753 O LYS A 111 108.134 8.938 16.432 1.00 0.00 O ATOM 1754 CB LYS A 111 106.219 11.333 15.790 1.00 0.00 C ATOM 1755 CG LYS A 111 104.874 10.992 15.128 1.00 0.00 C ATOM 1756 CD LYS A 111 104.447 12.129 14.191 1.00 0.00 C ATOM 1757 CE LYS A 111 103.707 13.206 14.989 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.385 14.353 14.094 1.00 0.00 N ATOM 0 H LYS A 111 106.319 10.124 13.230 1.00 0.00 H new ATOM 0 HA LYS A 111 108.289 11.242 15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.230 10.971 16.818 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.350 12.414 15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.961 10.061 14.568 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.113 10.834 15.892 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.322 12.560 13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.803 11.740 13.402 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.792 12.794 15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.322 13.543 15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.882 15.085 14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.265 14.750 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 102.782 14.025 13.313 1.00 0.00 H new ATOM 1772 N LYS A 112 107.008 8.324 14.649 1.00 0.00 N ATOM 1773 CA LYS A 112 107.148 6.892 15.000 1.00 0.00 C ATOM 1774 C LYS A 112 108.552 6.457 14.599 1.00 0.00 C ATOM 1775 O LYS A 112 109.146 5.603 15.223 1.00 0.00 O ATOM 1776 CB LYS A 112 106.088 6.075 14.244 1.00 0.00 C ATOM 1777 CG LYS A 112 105.355 5.154 15.217 1.00 0.00 C ATOM 1778 CD LYS A 112 106.279 4.008 15.633 1.00 0.00 C ATOM 1779 CE LYS A 112 105.546 3.091 16.614 1.00 0.00 C ATOM 1780 NZ LYS A 112 104.455 2.369 15.899 1.00 0.00 N ATOM 0 H LYS A 112 106.491 8.513 13.790 1.00 0.00 H new ATOM 0 HA LYS A 112 107.000 6.731 16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.378 6.744 13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.561 5.486 13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.037 5.715 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.454 4.757 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.592 3.443 14.755 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.182 4.405 16.096 1.00 0.00 H new ATOM 0 HE2 LYS A 112 106.244 2.377 17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 112 105.132 3.676 17.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 104.149 1.553 16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.650 3.012 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 104.804 2.038 14.977 1.00 0.00 H new ATOM 1794 N ASP A 113 109.087 7.076 13.573 1.00 0.00 N ATOM 1795 CA ASP A 113 110.473 6.761 13.109 1.00 0.00 C ATOM 1796 C ASP A 113 110.999 5.466 13.743 1.00 0.00 C ATOM 1797 O ASP A 113 111.352 5.429 14.905 1.00 0.00 O ATOM 1798 CB ASP A 113 111.377 7.930 13.504 1.00 0.00 C ATOM 1799 CG ASP A 113 111.592 7.935 15.019 1.00 0.00 C ATOM 1800 OD1 ASP A 113 110.718 8.416 15.721 1.00 0.00 O ATOM 1801 OD2 ASP A 113 112.628 7.457 15.452 1.00 0.00 O ATOM 0 H ASP A 113 108.613 7.797 13.030 1.00 0.00 H new ATOM 0 HA ASP A 113 110.466 6.617 12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.336 7.848 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 113 110.927 8.871 13.189 1.00 0.00 H new ATOM 1806 N SER A 114 111.062 4.401 12.991 1.00 0.00 N ATOM 1807 CA SER A 114 111.569 3.128 13.569 1.00 0.00 C ATOM 1808 C SER A 114 112.995 3.336 14.084 1.00 0.00 C ATOM 1809 O SER A 114 113.482 2.584 14.905 1.00 0.00 O ATOM 1810 CB SER A 114 111.541 2.021 12.509 1.00 0.00 C ATOM 1811 OG SER A 114 110.547 1.067 12.858 1.00 0.00 O ATOM 0 H SER A 114 110.786 4.358 12.010 1.00 0.00 H new ATOM 0 HA SER A 114 110.930 2.827 14.399 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.327 2.445 11.528 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.517 1.540 12.442 1.00 0.00 H new ATOM 0 HG SER A 114 110.523 0.357 12.183 1.00 0.00 H new ATOM 1817 N GLN A 115 113.664 4.357 13.624 1.00 0.00 N ATOM 1818 CA GLN A 115 115.048 4.610 14.109 1.00 0.00 C ATOM 1819 C GLN A 115 115.486 6.026 13.720 1.00 0.00 C ATOM 1820 O GLN A 115 115.939 6.781 14.554 1.00 0.00 O ATOM 1821 CB GLN A 115 116.016 3.581 13.509 1.00 0.00 C ATOM 1822 CG GLN A 115 115.579 3.220 12.092 1.00 0.00 C ATOM 1823 CD GLN A 115 116.594 2.255 11.476 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.223 1.253 10.897 1.00 0.00 O ATOM 1825 NE2 GLN A 115 117.869 2.516 11.576 1.00 0.00 N ATOM 0 H GLN A 115 113.313 5.024 12.936 1.00 0.00 H new ATOM 0 HA GLN A 115 115.063 4.516 15.195 1.00 0.00 H new ATOM 0 HB2 GLN A 115 117.028 3.986 13.495 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.040 2.686 14.131 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.590 2.762 12.110 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.502 4.121 11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 115 118.181 3.357 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 115 118.553 1.879 11.168 1.00 0.00 H new ATOM 1834 N GLN A 116 115.358 6.396 12.468 1.00 0.00 N ATOM 1835 CA GLN A 116 115.783 7.776 12.054 1.00 0.00 C ATOM 1836 C GLN A 116 115.882 7.890 10.526 1.00 0.00 C ATOM 1837 O GLN A 116 115.900 8.977 9.988 1.00 0.00 O ATOM 1838 CB GLN A 116 117.167 8.082 12.640 1.00 0.00 C ATOM 1839 CG GLN A 116 118.091 6.877 12.419 1.00 0.00 C ATOM 1840 CD GLN A 116 119.550 7.338 12.432 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.194 7.383 11.402 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.102 7.686 13.562 1.00 0.00 N ATOM 0 H GLN A 116 114.983 5.812 11.721 1.00 0.00 H new ATOM 0 HA GLN A 116 115.037 8.480 12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.587 8.969 12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.083 8.300 13.705 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.927 6.133 13.199 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.859 6.398 11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 116 119.562 7.648 14.426 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.074 7.996 13.581 1.00 0.00 H new ATOM 1851 N PHE A 117 115.971 6.782 9.835 1.00 0.00 N ATOM 1852 CA PHE A 117 116.099 6.797 8.336 1.00 0.00 C ATOM 1853 C PHE A 117 116.369 8.206 7.797 1.00 0.00 C ATOM 1854 O PHE A 117 117.476 8.517 7.412 1.00 0.00 O ATOM 1855 CB PHE A 117 114.817 6.270 7.702 1.00 0.00 C ATOM 1856 CG PHE A 117 114.369 5.039 8.442 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.693 5.164 9.659 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.633 3.772 7.912 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.278 4.022 10.346 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.219 2.629 8.599 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.541 2.752 9.815 1.00 0.00 C ATOM 0 H PHE A 117 115.961 5.850 10.249 1.00 0.00 H new ATOM 0 HA PHE A 117 116.946 6.161 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.039 7.033 7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.986 6.036 6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.492 6.143 10.067 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.157 3.678 6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.755 4.117 11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.423 1.650 8.191 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.220 1.868 10.346 1.00 0.00 H new ATOM 1871 N HIS A 118 115.349 9.036 7.736 1.00 0.00 N ATOM 1872 CA HIS A 118 115.501 10.428 7.185 1.00 0.00 C ATOM 1873 C HIS A 118 114.971 10.413 5.756 1.00 0.00 C ATOM 1874 O HIS A 118 115.244 11.288 4.959 1.00 0.00 O ATOM 1875 CB HIS A 118 116.970 10.879 7.184 1.00 0.00 C ATOM 1876 CG HIS A 118 117.033 12.374 7.024 1.00 0.00 C ATOM 1877 ND1 HIS A 118 116.956 13.239 8.107 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.167 13.172 5.914 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.043 14.495 7.630 1.00 0.00 C ATOM 1880 NE2 HIS A 118 117.172 14.507 6.302 1.00 0.00 N ATOM 0 H HIS A 118 114.406 8.805 8.048 1.00 0.00 H new ATOM 0 HA HIS A 118 114.947 11.129 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.454 10.581 8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.511 10.392 6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 118 117.255 12.817 4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.012 15.382 8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 118 117.257 15.325 5.698 1.00 0.00 H new ATOM 1889 N LEU A 119 114.211 9.399 5.448 1.00 0.00 N ATOM 1890 CA LEU A 119 113.625 9.236 4.081 1.00 0.00 C ATOM 1891 C LEU A 119 112.850 7.921 4.064 1.00 0.00 C ATOM 1892 O LEU A 119 112.788 7.218 3.081 1.00 0.00 O ATOM 1893 CB LEU A 119 114.750 9.230 3.021 1.00 0.00 C ATOM 1894 CG LEU A 119 115.529 7.879 2.937 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.362 7.015 4.198 1.00 0.00 C ATOM 1896 CD2 LEU A 119 115.075 7.068 1.709 1.00 0.00 C ATOM 0 H LEU A 119 113.964 8.656 6.102 1.00 0.00 H new ATOM 0 HA LEU A 119 112.956 10.063 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.318 9.451 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.454 10.031 3.247 1.00 0.00 H new ATOM 0 HG LEU A 119 116.583 8.140 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.925 6.089 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.735 7.561 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.307 6.782 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.629 6.130 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 119 114.009 6.857 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.266 7.643 0.803 1.00 0.00 H new ATOM 1908 N VAL A 120 112.284 7.591 5.184 1.00 0.00 N ATOM 1909 CA VAL A 120 111.523 6.321 5.337 1.00 0.00 C ATOM 1910 C VAL A 120 110.755 5.970 4.050 1.00 0.00 C ATOM 1911 O VAL A 120 110.428 6.839 3.266 1.00 0.00 O ATOM 1912 CB VAL A 120 110.560 6.518 6.510 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.376 6.901 7.750 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.561 7.648 6.190 1.00 0.00 C ATOM 0 H VAL A 120 112.317 8.164 6.027 1.00 0.00 H new ATOM 0 HA VAL A 120 112.203 5.490 5.527 1.00 0.00 H new ATOM 0 HB VAL A 120 110.006 5.596 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.705 7.046 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.084 6.105 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.920 7.825 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.880 7.780 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.105 8.576 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.990 7.388 5.299 1.00 0.00 H new ATOM 1924 N PRO A 121 110.454 4.703 3.837 1.00 0.00 N ATOM 1925 CA PRO A 121 109.699 4.253 2.636 1.00 0.00 C ATOM 1926 C PRO A 121 108.222 4.558 2.839 1.00 0.00 C ATOM 1927 O PRO A 121 107.509 3.834 3.506 1.00 0.00 O ATOM 1928 CB PRO A 121 109.963 2.749 2.582 1.00 0.00 C ATOM 1929 CG PRO A 121 110.193 2.346 4.000 1.00 0.00 C ATOM 1930 CD PRO A 121 110.787 3.565 4.716 1.00 0.00 C ATOM 0 HA PRO A 121 109.996 4.746 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.116 2.215 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.830 2.523 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.259 2.038 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.873 1.496 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.357 3.691 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.865 3.464 4.845 1.00 0.00 H new ATOM 1938 N VAL A 122 107.782 5.670 2.337 1.00 0.00 N ATOM 1939 CA VAL A 122 106.381 6.094 2.568 1.00 0.00 C ATOM 1940 C VAL A 122 105.429 5.628 1.462 1.00 0.00 C ATOM 1941 O VAL A 122 104.688 4.687 1.638 1.00 0.00 O ATOM 1942 CB VAL A 122 106.367 7.631 2.703 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.621 8.213 2.059 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.145 8.237 2.017 1.00 0.00 C ATOM 0 H VAL A 122 108.339 6.310 1.771 1.00 0.00 H new ATOM 0 HA VAL A 122 106.017 5.625 3.482 1.00 0.00 H new ATOM 0 HB VAL A 122 106.333 7.872 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.609 9.299 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.505 7.814 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.647 7.943 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.164 9.321 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.159 7.982 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.238 7.841 2.473 1.00 0.00 H new ATOM 1954 N HIS A 123 105.378 6.317 0.361 1.00 0.00 N ATOM 1955 CA HIS A 123 104.391 5.951 -0.694 1.00 0.00 C ATOM 1956 C HIS A 123 104.971 5.011 -1.743 1.00 0.00 C ATOM 1957 O HIS A 123 106.147 4.713 -1.773 1.00 0.00 O ATOM 1958 CB HIS A 123 103.920 7.234 -1.387 1.00 0.00 C ATOM 1959 CG HIS A 123 102.656 6.964 -2.157 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.667 6.399 -3.424 1.00 0.00 N ATOM 1961 CD2 HIS A 123 101.334 7.183 -1.855 1.00 0.00 C ATOM 1962 CE1 HIS A 123 101.388 6.297 -3.834 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.541 6.761 -2.915 1.00 0.00 N ATOM 0 H HIS A 123 105.974 7.116 0.143 1.00 0.00 H new ATOM 0 HA HIS A 123 103.566 5.429 -0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.746 8.015 -0.647 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.695 7.600 -2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.968 7.616 -0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 123 101.086 5.890 -4.788 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.524 6.798 -2.977 1.00 0.00 H new ATOM 1972 N LEU A 124 104.114 4.570 -2.620 1.00 0.00 N ATOM 1973 CA LEU A 124 104.514 3.672 -3.729 1.00 0.00 C ATOM 1974 C LEU A 124 104.147 4.397 -5.025 1.00 0.00 C ATOM 1975 O LEU A 124 102.986 4.596 -5.320 1.00 0.00 O ATOM 1976 CB LEU A 124 103.738 2.355 -3.616 1.00 0.00 C ATOM 1977 CG LEU A 124 104.377 1.276 -4.505 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.390 1.731 -5.968 1.00 0.00 C ATOM 1979 CD2 LEU A 124 105.813 0.994 -4.042 1.00 0.00 C ATOM 0 H LEU A 124 103.122 4.805 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 124 105.579 3.441 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.727 2.020 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.701 2.511 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 124 103.786 0.364 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.845 0.957 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 124 103.368 1.908 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.966 2.652 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 124 106.257 0.228 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 124 106.403 1.908 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 124 105.800 0.645 -3.009 1.00 0.00 H new ATOM 1991 N ASP A 125 105.114 4.831 -5.786 1.00 0.00 N ATOM 1992 CA ASP A 125 104.781 5.579 -7.029 1.00 0.00 C ATOM 1993 C ASP A 125 104.283 4.616 -8.111 1.00 0.00 C ATOM 1994 O ASP A 125 103.341 4.909 -8.819 1.00 0.00 O ATOM 1995 CB ASP A 125 106.024 6.337 -7.515 1.00 0.00 C ATOM 1996 CG ASP A 125 105.734 7.842 -7.535 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.403 8.375 -6.489 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.847 8.432 -8.597 1.00 0.00 O ATOM 0 H ASP A 125 106.109 4.702 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 125 103.986 6.294 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.869 6.128 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.303 5.997 -8.512 1.00 0.00 H new ATOM 2003 N ARG A 126 104.896 3.475 -8.249 1.00 0.00 N ATOM 2004 CA ARG A 126 104.432 2.518 -9.292 1.00 0.00 C ATOM 2005 C ARG A 126 105.279 1.251 -9.265 1.00 0.00 C ATOM 2006 O ARG A 126 106.192 1.114 -8.479 1.00 0.00 O ATOM 2007 CB ARG A 126 104.533 3.157 -10.682 1.00 0.00 C ATOM 2008 CG ARG A 126 105.821 3.988 -10.816 1.00 0.00 C ATOM 2009 CD ARG A 126 105.501 5.339 -11.462 1.00 0.00 C ATOM 2010 NE ARG A 126 104.643 5.125 -12.661 1.00 0.00 N ATOM 2011 CZ ARG A 126 104.549 6.056 -13.571 1.00 0.00 C ATOM 2012 NH1 ARG A 126 105.207 7.175 -13.430 1.00 0.00 N ATOM 2013 NH2 ARG A 126 103.797 5.869 -14.621 1.00 0.00 N ATOM 0 H ARG A 126 105.691 3.165 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 126 103.393 2.264 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.517 2.379 -11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.666 3.794 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.270 4.141 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.551 3.449 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.991 5.984 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 126 106.423 5.845 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 126 104.129 4.251 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.794 7.321 -12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 126 105.134 7.903 -14.141 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.282 4.995 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.724 6.597 -15.332 1.00 0.00 H new ATOM 2027 N VAL A 127 104.971 0.321 -10.128 1.00 0.00 N ATOM 2028 CA VAL A 127 105.742 -0.951 -10.180 1.00 0.00 C ATOM 2029 C VAL A 127 106.385 -1.083 -11.564 1.00 0.00 C ATOM 2030 O VAL A 127 105.757 -0.828 -12.573 1.00 0.00 O ATOM 2031 CB VAL A 127 104.793 -2.127 -9.920 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.511 -3.186 -9.084 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.570 -1.625 -9.149 1.00 0.00 C ATOM 0 H VAL A 127 104.211 0.390 -10.805 1.00 0.00 H new ATOM 0 HA VAL A 127 106.523 -0.953 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 127 104.481 -2.561 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.837 -4.022 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.390 -3.541 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.819 -2.751 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.891 -2.457 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.890 -1.196 -8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.057 -0.864 -9.737 1.00 0.00 H new ATOM 2043 N LEU A 128 107.634 -1.466 -11.619 1.00 0.00 N ATOM 2044 CA LEU A 128 108.326 -1.602 -12.937 1.00 0.00 C ATOM 2045 C LEU A 128 108.892 -3.018 -13.069 1.00 0.00 C ATOM 2046 O LEU A 128 108.329 -3.792 -13.825 1.00 0.00 O ATOM 2047 CB LEU A 128 109.470 -0.575 -13.016 1.00 0.00 C ATOM 2048 CG LEU A 128 109.415 0.175 -14.351 1.00 0.00 C ATOM 2049 CD1 LEU A 128 110.415 1.333 -14.327 1.00 0.00 C ATOM 2050 CD2 LEU A 128 109.778 -0.784 -15.487 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.879 -3.303 -12.411 1.00 0.00 O ATOM 0 H LEU A 128 108.207 -1.691 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 128 107.619 -1.420 -13.746 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.392 0.132 -12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.430 -1.080 -12.914 1.00 0.00 H new ATOM 0 HG LEU A 128 108.409 0.565 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 128 110.376 1.867 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 128 110.162 2.016 -13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 128 111.421 0.942 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 128 109.740 -0.253 -16.438 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.784 -1.172 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU A 128 109.069 -1.612 -15.505 1.00 0.00 H new