USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 962 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 31 THR OG1 : rot 41:sc= -1.37 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -161:sc= 0.0603 (180deg=0.011) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.3!) USER MOD Single : A 1 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.013) USER MOD Single : A 1 HIS N :NH3+ -142:sc= 0.0348 (180deg=0) USER MOD Single : A 2 SER OG : rot -19:sc= 0.38 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 12 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.27) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 27 SER OG : rot 50:sc= 0.0067 USER MOD Single : A 29 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-0.048) USER MOD Single : A 35 SER OG : rot 84:sc= -1.91! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0.749 (180deg=0.709) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.75) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 61 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.4) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -115:sc= -0.271 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 168:sc= -0.677 USER MOD Single : A 104 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.11) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.4!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 8.739 -17.046 -1.054 1.00 0.00 N ATOM 2 CA HIS A 1 8.375 -15.605 -0.999 1.00 0.00 C ATOM 3 C HIS A 1 7.226 -15.291 -1.952 1.00 0.00 C ATOM 4 O HIS A 1 6.776 -16.156 -2.704 1.00 0.00 O ATOM 5 CB HIS A 1 9.608 -14.778 -1.367 1.00 0.00 C ATOM 6 CG HIS A 1 9.780 -13.553 -0.523 1.00 0.00 C ATOM 7 ND1 HIS A 1 9.939 -12.290 -1.054 1.00 0.00 N ATOM 8 CD2 HIS A 1 9.816 -13.400 0.822 1.00 0.00 C ATOM 9 CE1 HIS A 1 10.066 -11.415 -0.073 1.00 0.00 C ATOM 10 NE2 HIS A 1 9.994 -12.063 1.075 1.00 0.00 N ATOM 0 H1 HIS A 1 8.978 -17.380 -0.099 1.00 0.00 H new ATOM 0 H2 HIS A 1 7.935 -17.593 -1.421 1.00 0.00 H new ATOM 0 H3 HIS A 1 9.559 -17.173 -1.681 1.00 0.00 H new ATOM 0 HA HIS A 1 8.043 -15.357 0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 1 10.496 -15.403 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 1 9.538 -14.481 -2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 1 9.722 -14.184 1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 1 10.205 -10.350 -0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 1 10.060 -11.639 2.000 1.00 0.00 H new ATOM 21 N SER A 2 6.754 -14.049 -1.914 1.00 0.00 N ATOM 22 CA SER A 2 5.657 -13.624 -2.775 1.00 0.00 C ATOM 23 C SER A 2 5.592 -12.102 -2.865 1.00 0.00 C ATOM 24 O SER A 2 5.572 -11.410 -1.848 1.00 0.00 O ATOM 25 CB SER A 2 4.328 -14.172 -2.251 1.00 0.00 C ATOM 26 OG SER A 2 4.382 -15.579 -2.096 1.00 0.00 O ATOM 0 H SER A 2 7.114 -13.321 -1.297 1.00 0.00 H new ATOM 0 HA SER A 2 5.838 -14.021 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.091 -13.707 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.526 -13.910 -2.941 1.00 0.00 H new ATOM 0 HG SER A 2 5.124 -15.938 -2.626 1.00 0.00 H new ATOM 32 N VAL A 3 5.558 -11.589 -4.091 1.00 0.00 N ATOM 33 CA VAL A 3 5.493 -10.151 -4.316 1.00 0.00 C ATOM 34 C VAL A 3 4.373 -9.799 -5.294 1.00 0.00 C ATOM 35 O VAL A 3 4.557 -9.867 -6.509 1.00 0.00 O ATOM 36 CB VAL A 3 6.826 -9.605 -4.863 1.00 0.00 C ATOM 37 CG1 VAL A 3 7.918 -9.704 -3.808 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.230 -10.346 -6.129 1.00 0.00 C ATOM 0 H VAL A 3 5.574 -12.149 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 3 5.290 -9.689 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 3 6.689 -8.553 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.852 -9.314 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.631 -9.122 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.054 -10.747 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.174 -9.946 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.348 -11.407 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.458 -10.217 -6.888 1.00 0.00 H new ATOM 48 N PRO A 4 3.191 -9.420 -4.775 1.00 0.00 N ATOM 49 CA PRO A 4 2.040 -9.061 -5.612 1.00 0.00 C ATOM 50 C PRO A 4 2.332 -7.862 -6.506 1.00 0.00 C ATOM 51 O PRO A 4 3.472 -7.408 -6.601 1.00 0.00 O ATOM 52 CB PRO A 4 0.942 -8.714 -4.599 1.00 0.00 C ATOM 53 CG PRO A 4 1.381 -9.337 -3.318 1.00 0.00 C ATOM 54 CD PRO A 4 2.881 -9.313 -3.341 1.00 0.00 C ATOM 0 HA PRO A 4 1.767 -9.870 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.830 -7.635 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.025 -9.105 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.995 -8.783 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.008 -10.358 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.277 -8.393 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.307 -10.140 -2.773 1.00 0.00 H new ATOM 62 N GLU A 5 1.294 -7.354 -7.161 1.00 0.00 N ATOM 63 CA GLU A 5 1.441 -6.208 -8.048 1.00 0.00 C ATOM 64 C GLU A 5 0.191 -5.340 -8.025 1.00 0.00 C ATOM 65 O GLU A 5 0.171 -4.272 -7.414 1.00 0.00 O ATOM 66 CB GLU A 5 1.735 -6.677 -9.475 1.00 0.00 C ATOM 67 CG GLU A 5 3.037 -6.129 -10.037 1.00 0.00 C ATOM 68 CD GLU A 5 3.021 -6.026 -11.549 1.00 0.00 C ATOM 69 OE1 GLU A 5 3.079 -7.081 -12.216 1.00 0.00 O ATOM 70 OE2 GLU A 5 2.951 -4.892 -12.066 1.00 0.00 O ATOM 0 H GLU A 5 0.343 -7.718 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 5 2.279 -5.608 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.772 -7.766 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.913 -6.376 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.226 -5.144 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.861 -6.773 -9.729 1.00 0.00 H new ATOM 77 N SER A 6 -0.846 -5.812 -8.691 1.00 0.00 N ATOM 78 CA SER A 6 -2.111 -5.089 -8.755 1.00 0.00 C ATOM 79 C SER A 6 -2.804 -5.101 -7.397 1.00 0.00 C ATOM 80 O SER A 6 -2.384 -5.813 -6.485 1.00 0.00 O ATOM 81 CB SER A 6 -3.025 -5.707 -9.813 1.00 0.00 C ATOM 82 OG SER A 6 -2.273 -6.375 -10.811 1.00 0.00 O ATOM 0 H SER A 6 -0.841 -6.697 -9.199 1.00 0.00 H new ATOM 0 HA SER A 6 -1.900 -4.056 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.711 -6.409 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.633 -4.928 -10.272 1.00 0.00 H new ATOM 0 HG SER A 6 -2.881 -6.763 -11.474 1.00 0.00 H new ATOM 88 N ILE A 7 -3.862 -4.307 -7.263 1.00 0.00 N ATOM 89 CA ILE A 7 -4.598 -4.235 -6.009 1.00 0.00 C ATOM 90 C ILE A 7 -6.065 -4.604 -6.205 1.00 0.00 C ATOM 91 O ILE A 7 -6.946 -3.747 -6.129 1.00 0.00 O ATOM 92 CB ILE A 7 -4.512 -2.828 -5.389 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.055 -2.377 -5.281 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.178 -2.807 -4.020 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.580 -1.566 -6.467 1.00 0.00 C ATOM 0 H ILE A 7 -4.226 -3.708 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.136 -4.953 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.040 -2.133 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.934 -1.784 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.419 -3.256 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.108 -1.805 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.227 -3.085 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.677 -3.515 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.538 -1.282 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.668 -2.163 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.191 -0.668 -6.562 1.00 0.00 H new ATOM 107 N ARG A 8 -6.326 -5.884 -6.449 1.00 0.00 N ATOM 108 CA ARG A 8 -7.691 -6.354 -6.643 1.00 0.00 C ATOM 109 C ARG A 8 -8.412 -6.447 -5.303 1.00 0.00 C ATOM 110 O ARG A 8 -8.702 -7.537 -4.811 1.00 0.00 O ATOM 111 CB ARG A 8 -7.694 -7.716 -7.342 1.00 0.00 C ATOM 112 CG ARG A 8 -7.798 -7.620 -8.856 1.00 0.00 C ATOM 113 CD ARG A 8 -7.799 -8.995 -9.506 1.00 0.00 C ATOM 114 NE ARG A 8 -9.132 -9.386 -9.957 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.474 -10.636 -10.263 1.00 0.00 C ATOM 116 NH1 ARG A 8 -8.586 -11.617 -10.163 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.708 -10.905 -10.668 1.00 0.00 N ATOM 0 H ARG A 8 -5.613 -6.611 -6.517 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.217 -5.639 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.781 -8.251 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.529 -8.307 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.711 -7.089 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.963 -7.035 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.115 -8.995 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.426 -9.732 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.842 -8.659 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.636 -11.415 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.853 -12.573 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.394 -10.155 -10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.970 -11.862 -10.903 1.00 0.00 H new ATOM 131 N PHE A 9 -8.694 -5.289 -4.716 1.00 0.00 N ATOM 132 CA PHE A 9 -9.376 -5.223 -3.430 1.00 0.00 C ATOM 133 C PHE A 9 -10.885 -5.139 -3.627 1.00 0.00 C ATOM 134 O PHE A 9 -11.427 -4.067 -3.898 1.00 0.00 O ATOM 135 CB PHE A 9 -8.870 -4.012 -2.641 1.00 0.00 C ATOM 136 CG PHE A 9 -9.335 -3.963 -1.212 1.00 0.00 C ATOM 137 CD1 PHE A 9 -10.683 -3.856 -0.902 1.00 0.00 C ATOM 138 CD2 PHE A 9 -8.417 -4.016 -0.176 1.00 0.00 C ATOM 139 CE1 PHE A 9 -11.103 -3.804 0.414 1.00 0.00 C ATOM 140 CE2 PHE A 9 -8.832 -3.965 1.141 1.00 0.00 C ATOM 141 CZ PHE A 9 -10.177 -3.859 1.436 1.00 0.00 C ATOM 0 H PHE A 9 -8.459 -4.379 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.159 -6.131 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.780 -4.014 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.194 -3.103 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.412 -3.813 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.364 -4.098 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.155 -3.720 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.105 -4.008 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.504 -3.819 2.465 1.00 0.00 H new ATOM 151 N GLY A 10 -11.559 -6.278 -3.495 1.00 0.00 N ATOM 152 CA GLY A 10 -13.000 -6.310 -3.667 1.00 0.00 C ATOM 153 C GLY A 10 -13.432 -5.743 -5.008 1.00 0.00 C ATOM 154 O GLY A 10 -12.726 -5.900 -6.004 1.00 0.00 O ATOM 0 H GLY A 10 -11.133 -7.178 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.352 -7.338 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.472 -5.742 -2.865 1.00 0.00 H new ATOM 158 N PRO A 11 -14.593 -5.069 -5.066 1.00 0.00 N ATOM 159 CA PRO A 11 -15.096 -4.478 -6.310 1.00 0.00 C ATOM 160 C PRO A 11 -14.240 -3.305 -6.784 1.00 0.00 C ATOM 161 O PRO A 11 -14.391 -2.832 -7.911 1.00 0.00 O ATOM 162 CB PRO A 11 -16.501 -4.000 -5.937 1.00 0.00 C ATOM 163 CG PRO A 11 -16.455 -3.794 -4.463 1.00 0.00 C ATOM 164 CD PRO A 11 -15.501 -4.826 -3.930 1.00 0.00 C ATOM 0 HA PRO A 11 -15.080 -5.192 -7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.756 -3.077 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.255 -4.738 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.116 -2.787 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.444 -3.912 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.962 -4.462 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.020 -5.736 -3.628 1.00 0.00 H new ATOM 172 N ASN A 12 -13.341 -2.839 -5.919 1.00 0.00 N ATOM 173 CA ASN A 12 -12.463 -1.722 -6.253 1.00 0.00 C ATOM 174 C ASN A 12 -11.111 -2.219 -6.752 1.00 0.00 C ATOM 175 O ASN A 12 -10.461 -3.040 -6.104 1.00 0.00 O ATOM 176 CB ASN A 12 -12.262 -0.824 -5.032 1.00 0.00 C ATOM 177 CG ASN A 12 -13.325 0.252 -4.923 1.00 0.00 C ATOM 178 OD1 ASN A 12 -14.485 0.033 -5.273 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.932 1.424 -4.436 1.00 0.00 N ATOM 0 H ASN A 12 -13.202 -3.218 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.937 -1.149 -7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.274 -1.435 -4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.279 -0.356 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.602 2.187 -4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.960 1.561 -4.158 1.00 0.00 H new ATOM 186 N VAL A 13 -10.689 -1.711 -7.905 1.00 0.00 N ATOM 187 CA VAL A 13 -9.410 -2.096 -8.488 1.00 0.00 C ATOM 188 C VAL A 13 -8.414 -0.944 -8.415 1.00 0.00 C ATOM 189 O VAL A 13 -8.683 0.151 -8.908 1.00 0.00 O ATOM 190 CB VAL A 13 -9.569 -2.532 -9.957 1.00 0.00 C ATOM 191 CG1 VAL A 13 -8.272 -3.129 -10.480 1.00 0.00 C ATOM 192 CG2 VAL A 13 -10.715 -3.521 -10.100 1.00 0.00 C ATOM 0 H VAL A 13 -11.215 -1.031 -8.454 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.035 -2.940 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.804 -1.651 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.403 -3.431 -11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.477 -2.386 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.004 -3.999 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.812 -3.817 -11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.514 -4.402 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.642 -3.054 -9.768 1.00 0.00 H new ATOM 202 N PHE A 14 -7.265 -1.196 -7.797 1.00 0.00 N ATOM 203 CA PHE A 14 -6.232 -0.175 -7.661 1.00 0.00 C ATOM 204 C PHE A 14 -4.943 -0.630 -8.334 1.00 0.00 C ATOM 205 O PHE A 14 -4.594 -1.809 -8.294 1.00 0.00 O ATOM 206 CB PHE A 14 -5.977 0.127 -6.180 1.00 0.00 C ATOM 207 CG PHE A 14 -5.986 1.592 -5.844 1.00 0.00 C ATOM 208 CD1 PHE A 14 -5.121 2.468 -6.480 1.00 0.00 C ATOM 209 CD2 PHE A 14 -6.855 2.090 -4.887 1.00 0.00 C ATOM 210 CE1 PHE A 14 -5.125 3.815 -6.169 1.00 0.00 C ATOM 211 CE2 PHE A 14 -6.863 3.436 -4.571 1.00 0.00 C ATOM 212 CZ PHE A 14 -5.996 4.299 -5.213 1.00 0.00 C ATOM 0 H PHE A 14 -7.026 -2.097 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.578 0.735 -8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.736 -0.377 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.013 -0.295 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.436 2.094 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.534 1.419 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.448 4.488 -6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.546 3.812 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.999 5.351 -4.968 1.00 0.00 H new ATOM 222 N TYR A 15 -4.239 0.309 -8.955 1.00 0.00 N ATOM 223 CA TYR A 15 -2.989 -0.001 -9.636 1.00 0.00 C ATOM 224 C TYR A 15 -1.818 0.722 -8.977 1.00 0.00 C ATOM 225 O TYR A 15 -1.819 1.947 -8.854 1.00 0.00 O ATOM 226 CB TYR A 15 -3.085 0.384 -11.112 1.00 0.00 C ATOM 227 CG TYR A 15 -3.874 -0.600 -11.946 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.306 -1.796 -12.367 1.00 0.00 C ATOM 229 CD2 TYR A 15 -5.187 -0.332 -12.313 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.024 -2.697 -13.131 1.00 0.00 C ATOM 231 CE2 TYR A 15 -5.912 -1.229 -13.075 1.00 0.00 C ATOM 232 CZ TYR A 15 -5.326 -2.409 -13.482 1.00 0.00 C ATOM 233 OH TYR A 15 -6.045 -3.303 -14.241 1.00 0.00 O ATOM 0 H TYR A 15 -4.513 1.291 -9.001 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.814 -1.074 -9.560 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.547 1.368 -11.193 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.079 0.470 -11.522 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.287 -2.026 -12.093 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.649 0.592 -11.998 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.567 -3.622 -13.451 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.932 -1.007 -13.350 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.945 -2.949 -14.399 1.00 0.00 H new ATOM 243 N VAL A 16 -0.824 -0.049 -8.550 1.00 0.00 N ATOM 244 CA VAL A 16 0.356 0.506 -7.894 1.00 0.00 C ATOM 245 C VAL A 16 1.086 1.511 -8.784 1.00 0.00 C ATOM 246 O VAL A 16 1.876 2.319 -8.296 1.00 0.00 O ATOM 247 CB VAL A 16 1.346 -0.605 -7.491 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.875 -1.312 -6.229 1.00 0.00 C ATOM 249 CG2 VAL A 16 1.534 -1.597 -8.631 1.00 0.00 C ATOM 0 H VAL A 16 -0.812 -1.064 -8.647 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.005 1.019 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 16 2.311 -0.144 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.588 -2.092 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.803 -0.592 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.103 -1.759 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.236 -2.373 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.575 -2.052 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.925 -1.077 -9.505 1.00 0.00 H new ATOM 259 N LEU A 17 0.833 1.452 -10.089 1.00 0.00 N ATOM 260 CA LEU A 17 1.488 2.356 -11.030 1.00 0.00 C ATOM 261 C LEU A 17 0.499 3.343 -11.646 1.00 0.00 C ATOM 262 O LEU A 17 0.878 4.445 -12.042 1.00 0.00 O ATOM 263 CB LEU A 17 2.178 1.555 -12.136 1.00 0.00 C ATOM 264 CG LEU A 17 2.894 0.285 -11.664 1.00 0.00 C ATOM 265 CD1 LEU A 17 2.305 -0.946 -12.336 1.00 0.00 C ATOM 266 CD2 LEU A 17 4.389 0.379 -11.938 1.00 0.00 C ATOM 0 H LEU A 17 0.183 0.792 -10.517 1.00 0.00 H new ATOM 0 HA LEU A 17 2.232 2.928 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.433 1.278 -12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.903 2.200 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 17 2.747 0.191 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.828 -1.836 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.247 -1.025 -12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.418 -0.860 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.880 -0.532 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.556 0.501 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.803 1.236 -11.406 1.00 0.00 H new ATOM 278 N LYS A 18 -0.766 2.944 -11.731 1.00 0.00 N ATOM 279 CA LYS A 18 -1.797 3.801 -12.309 1.00 0.00 C ATOM 280 C LYS A 18 -2.364 4.762 -11.267 1.00 0.00 C ATOM 281 O LYS A 18 -2.686 5.908 -11.579 1.00 0.00 O ATOM 282 CB LYS A 18 -2.920 2.952 -12.907 1.00 0.00 C ATOM 283 CG LYS A 18 -3.359 3.409 -14.288 1.00 0.00 C ATOM 284 CD LYS A 18 -3.958 2.263 -15.087 1.00 0.00 C ATOM 285 CE LYS A 18 -4.498 2.740 -16.425 1.00 0.00 C ATOM 286 NZ LYS A 18 -5.007 1.612 -17.253 1.00 0.00 N ATOM 0 H LYS A 18 -1.102 2.036 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.337 4.392 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.589 1.915 -12.965 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.779 2.975 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.092 4.210 -14.192 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.505 3.822 -14.825 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.200 1.497 -15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.761 1.799 -14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.301 3.458 -16.257 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.711 3.263 -16.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.366 1.980 -18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.235 0.939 -17.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.776 1.128 -16.746 1.00 0.00 H new ATOM 300 N LEU A 19 -2.485 4.290 -10.030 1.00 0.00 N ATOM 301 CA LEU A 19 -3.015 5.112 -8.948 1.00 0.00 C ATOM 302 C LEU A 19 -4.464 5.501 -9.219 1.00 0.00 C ATOM 303 O LEU A 19 -4.923 6.562 -8.793 1.00 0.00 O ATOM 304 CB LEU A 19 -2.162 6.371 -8.768 1.00 0.00 C ATOM 305 CG LEU A 19 -0.659 6.175 -8.979 1.00 0.00 C ATOM 306 CD1 LEU A 19 0.011 7.502 -9.296 1.00 0.00 C ATOM 307 CD2 LEU A 19 -0.028 5.532 -7.751 1.00 0.00 C ATOM 0 H LEU A 19 -2.224 3.344 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.981 4.524 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.514 7.132 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.324 6.760 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.512 5.507 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.079 7.344 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.422 7.921 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.143 8.194 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.041 5.400 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.183 6.174 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.490 4.561 -7.571 1.00 0.00 H new ATOM 319 N THR A 20 -5.182 4.637 -9.930 1.00 0.00 N ATOM 320 CA THR A 20 -6.580 4.891 -10.257 1.00 0.00 C ATOM 321 C THR A 20 -7.474 3.775 -9.727 1.00 0.00 C ATOM 322 O THR A 20 -7.215 2.594 -9.963 1.00 0.00 O ATOM 323 CB THR A 20 -6.755 5.024 -11.771 1.00 0.00 C ATOM 324 OG1 THR A 20 -5.638 5.675 -12.349 1.00 0.00 O ATOM 325 CG2 THR A 20 -7.993 5.799 -12.165 1.00 0.00 C ATOM 0 H THR A 20 -4.818 3.755 -10.291 1.00 0.00 H new ATOM 0 HA THR A 20 -6.875 5.826 -9.780 1.00 0.00 H new ATOM 0 HB THR A 20 -6.853 4.003 -12.141 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.768 5.749 -13.318 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.056 5.856 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.877 5.294 -11.776 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.939 6.806 -11.752 1.00 0.00 H new ATOM 333 N VAL A 21 -8.526 4.154 -9.009 1.00 0.00 N ATOM 334 CA VAL A 21 -9.456 3.182 -8.445 1.00 0.00 C ATOM 335 C VAL A 21 -10.597 2.891 -9.413 1.00 0.00 C ATOM 336 O VAL A 21 -11.490 3.717 -9.602 1.00 0.00 O ATOM 337 CB VAL A 21 -10.050 3.663 -7.105 1.00 0.00 C ATOM 338 CG1 VAL A 21 -10.524 2.479 -6.277 1.00 0.00 C ATOM 339 CG2 VAL A 21 -9.035 4.487 -6.327 1.00 0.00 C ATOM 0 H VAL A 21 -8.756 5.126 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.883 2.272 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.908 4.299 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.940 2.837 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.290 1.933 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.682 1.817 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.477 4.815 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.154 3.879 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.746 5.358 -6.915 1.00 0.00 H new ATOM 349 N GLU A 22 -10.562 1.711 -10.023 1.00 0.00 N ATOM 350 CA GLU A 22 -11.595 1.310 -10.971 1.00 0.00 C ATOM 351 C GLU A 22 -12.915 1.045 -10.253 1.00 0.00 C ATOM 352 O GLU A 22 -13.263 -0.102 -9.973 1.00 0.00 O ATOM 353 CB GLU A 22 -11.157 0.061 -11.738 1.00 0.00 C ATOM 354 CG GLU A 22 -11.694 0.001 -13.159 1.00 0.00 C ATOM 355 CD GLU A 22 -12.952 -0.838 -13.272 1.00 0.00 C ATOM 356 OE1 GLU A 22 -13.958 -0.490 -12.618 1.00 0.00 O ATOM 357 OE2 GLU A 22 -12.932 -1.842 -14.014 1.00 0.00 O ATOM 0 H GLU A 22 -9.830 1.016 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.743 2.126 -11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.068 0.026 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.489 -0.824 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.904 1.012 -13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.927 -0.410 -13.816 1.00 0.00 H new ATOM 364 N THR A 23 -13.643 2.115 -9.955 1.00 0.00 N ATOM 365 CA THR A 23 -14.923 2.001 -9.267 1.00 0.00 C ATOM 366 C THR A 23 -15.976 1.374 -10.177 1.00 0.00 C ATOM 367 O THR A 23 -15.758 1.217 -11.378 1.00 0.00 O ATOM 368 CB THR A 23 -15.394 3.376 -8.789 1.00 0.00 C ATOM 369 OG1 THR A 23 -14.691 4.409 -9.457 1.00 0.00 O ATOM 370 CG2 THR A 23 -15.210 3.586 -7.301 1.00 0.00 C ATOM 0 H THR A 23 -13.368 3.071 -10.179 1.00 0.00 H new ATOM 0 HA THR A 23 -14.786 1.353 -8.402 1.00 0.00 H new ATOM 0 HB THR A 23 -16.459 3.412 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.008 5.280 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.564 4.580 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.780 2.835 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.154 3.494 -7.049 1.00 0.00 H new ATOM 378 N PRO A 24 -17.139 1.008 -9.612 1.00 0.00 N ATOM 379 CA PRO A 24 -18.228 0.397 -10.372 1.00 0.00 C ATOM 380 C PRO A 24 -19.038 1.419 -11.167 1.00 0.00 C ATOM 381 O PRO A 24 -19.977 1.060 -11.878 1.00 0.00 O ATOM 382 CB PRO A 24 -19.088 -0.235 -9.280 1.00 0.00 C ATOM 383 CG PRO A 24 -18.888 0.635 -8.091 1.00 0.00 C ATOM 384 CD PRO A 24 -17.481 1.160 -8.185 1.00 0.00 C ATOM 0 HA PRO A 24 -17.863 -0.307 -11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.137 -0.270 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.779 -1.260 -9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.609 1.453 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.032 0.072 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.421 2.201 -7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.800 0.594 -7.549 1.00 0.00 H new ATOM 392 N GLU A 25 -18.672 2.693 -11.046 1.00 0.00 N ATOM 393 CA GLU A 25 -19.369 3.759 -11.757 1.00 0.00 C ATOM 394 C GLU A 25 -18.413 4.516 -12.673 1.00 0.00 C ATOM 395 O GLU A 25 -18.732 4.791 -13.830 1.00 0.00 O ATOM 396 CB GLU A 25 -20.015 4.725 -10.764 1.00 0.00 C ATOM 397 CG GLU A 25 -21.175 5.514 -11.350 1.00 0.00 C ATOM 398 CD GLU A 25 -22.318 4.623 -11.797 1.00 0.00 C ATOM 399 OE1 GLU A 25 -22.717 3.733 -11.017 1.00 0.00 O ATOM 400 OE2 GLU A 25 -22.814 4.817 -12.926 1.00 0.00 O ATOM 0 H GLU A 25 -17.898 3.011 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 25 -20.148 3.305 -12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -20.369 4.162 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.258 5.421 -10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.540 6.222 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.820 6.098 -12.199 1.00 0.00 H new ATOM 407 N GLY A 26 -17.239 4.851 -12.148 1.00 0.00 N ATOM 408 CA GLY A 26 -16.255 5.574 -12.933 1.00 0.00 C ATOM 409 C GLY A 26 -14.833 5.277 -12.498 1.00 0.00 C ATOM 410 O GLY A 26 -14.333 4.170 -12.698 1.00 0.00 O ATOM 0 H GLY A 26 -16.951 4.635 -11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.372 5.313 -13.985 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.442 6.644 -12.847 1.00 0.00 H new ATOM 414 N SER A 27 -14.179 6.269 -11.902 1.00 0.00 N ATOM 415 CA SER A 27 -12.805 6.111 -11.437 1.00 0.00 C ATOM 416 C SER A 27 -12.443 7.201 -10.432 1.00 0.00 C ATOM 417 O SER A 27 -13.191 8.160 -10.246 1.00 0.00 O ATOM 418 CB SER A 27 -11.837 6.144 -12.622 1.00 0.00 C ATOM 419 OG SER A 27 -11.269 4.866 -12.852 1.00 0.00 O ATOM 0 H SER A 27 -14.579 7.192 -11.729 1.00 0.00 H new ATOM 0 HA SER A 27 -12.723 5.145 -10.940 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.363 6.478 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.045 6.868 -12.429 1.00 0.00 H new ATOM 0 HG SER A 27 -11.981 4.193 -12.888 1.00 0.00 H new ATOM 425 N VAL A 28 -11.292 7.045 -9.785 1.00 0.00 N ATOM 426 CA VAL A 28 -10.834 8.016 -8.798 1.00 0.00 C ATOM 427 C VAL A 28 -9.323 8.211 -8.873 1.00 0.00 C ATOM 428 O VAL A 28 -8.568 7.248 -9.007 1.00 0.00 O ATOM 429 CB VAL A 28 -11.213 7.580 -7.369 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.859 8.665 -6.364 1.00 0.00 C ATOM 431 CG2 VAL A 28 -12.692 7.235 -7.292 1.00 0.00 C ATOM 0 H VAL A 28 -10.661 6.257 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.329 8.959 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.640 6.687 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.135 8.337 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.787 8.859 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.401 9.578 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.942 6.929 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.284 8.109 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.912 6.419 -7.981 1.00 0.00 H new ATOM 441 N HIS A 29 -8.890 9.465 -8.782 1.00 0.00 N ATOM 442 CA HIS A 29 -7.469 9.791 -8.835 1.00 0.00 C ATOM 443 C HIS A 29 -6.964 10.234 -7.466 1.00 0.00 C ATOM 444 O HIS A 29 -7.752 10.456 -6.546 1.00 0.00 O ATOM 445 CB HIS A 29 -7.215 10.892 -9.866 1.00 0.00 C ATOM 446 CG HIS A 29 -8.101 12.087 -9.696 1.00 0.00 C ATOM 447 ND1 HIS A 29 -7.674 13.266 -9.125 1.00 0.00 N ATOM 448 CD2 HIS A 29 -9.400 12.281 -10.029 1.00 0.00 C ATOM 449 CE1 HIS A 29 -8.671 14.134 -9.112 1.00 0.00 C ATOM 450 NE2 HIS A 29 -9.728 13.560 -9.655 1.00 0.00 N ATOM 0 H HIS A 29 -9.503 10.272 -8.671 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.925 8.894 -9.131 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.174 11.209 -9.798 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.359 10.482 -10.866 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.055 11.563 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.628 15.141 -8.723 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.642 13.997 -9.777 1.00 0.00 H new ATOM 459 N LEU A 30 -5.647 10.359 -7.333 1.00 0.00 N ATOM 460 CA LEU A 30 -5.046 10.773 -6.071 1.00 0.00 C ATOM 461 C LEU A 30 -3.558 11.075 -6.243 1.00 0.00 C ATOM 462 O LEU A 30 -2.971 10.778 -7.284 1.00 0.00 O ATOM 463 CB LEU A 30 -5.248 9.682 -5.011 1.00 0.00 C ATOM 464 CG LEU A 30 -4.241 8.528 -5.053 1.00 0.00 C ATOM 465 CD1 LEU A 30 -4.675 7.402 -4.127 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.071 8.009 -6.473 1.00 0.00 C ATOM 0 H LEU A 30 -4.978 10.180 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.539 11.687 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.203 10.145 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.251 9.270 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.279 8.908 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.946 6.593 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.740 7.776 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.651 7.029 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.351 7.190 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.030 7.651 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.709 8.813 -7.114 1.00 0.00 H new ATOM 478 N THR A 31 -2.952 11.661 -5.213 1.00 0.00 N ATOM 479 CA THR A 31 -1.531 11.995 -5.251 1.00 0.00 C ATOM 480 C THR A 31 -0.681 10.734 -5.102 1.00 0.00 C ATOM 481 O THR A 31 -0.945 9.903 -4.235 1.00 0.00 O ATOM 482 CB THR A 31 -1.189 12.991 -4.142 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.936 12.715 -2.971 1.00 0.00 O ATOM 484 CG2 THR A 31 -1.456 14.430 -4.528 1.00 0.00 C ATOM 0 H THR A 31 -3.422 11.914 -4.344 1.00 0.00 H new ATOM 0 HA THR A 31 -1.311 12.453 -6.216 1.00 0.00 H new ATOM 0 HB THR A 31 -0.120 12.871 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.974 11.746 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.192 15.084 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.856 14.690 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.513 14.553 -4.765 1.00 0.00 H new ATOM 492 N PRO A 32 0.348 10.565 -5.953 1.00 0.00 N ATOM 493 CA PRO A 32 1.221 9.386 -5.909 1.00 0.00 C ATOM 494 C PRO A 32 2.145 9.365 -4.698 1.00 0.00 C ATOM 495 O PRO A 32 2.706 8.324 -4.356 1.00 0.00 O ATOM 496 CB PRO A 32 2.034 9.500 -7.199 1.00 0.00 C ATOM 497 CG PRO A 32 2.055 10.958 -7.503 1.00 0.00 C ATOM 498 CD PRO A 32 0.734 11.498 -7.028 1.00 0.00 C ATOM 0 HA PRO A 32 0.642 8.466 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.043 9.108 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.574 8.933 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.884 11.451 -6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.187 11.132 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.827 12.519 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.005 11.515 -7.830 1.00 0.00 H new ATOM 506 N SER A 33 2.301 10.510 -4.049 1.00 0.00 N ATOM 507 CA SER A 33 3.161 10.600 -2.876 1.00 0.00 C ATOM 508 C SER A 33 2.475 9.995 -1.668 1.00 0.00 C ATOM 509 O SER A 33 3.086 9.257 -0.896 1.00 0.00 O ATOM 510 CB SER A 33 3.542 12.055 -2.595 1.00 0.00 C ATOM 511 OG SER A 33 2.391 12.878 -2.514 1.00 0.00 O ATOM 0 H SER A 33 1.847 11.385 -4.312 1.00 0.00 H new ATOM 0 HA SER A 33 4.073 10.038 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.101 12.114 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.199 12.421 -3.384 1.00 0.00 H new ATOM 0 HG SER A 33 2.662 13.802 -2.332 1.00 0.00 H new ATOM 517 N GLU A 34 1.199 10.292 -1.525 1.00 0.00 N ATOM 518 CA GLU A 34 0.419 9.757 -0.422 1.00 0.00 C ATOM 519 C GLU A 34 -0.047 8.361 -0.766 1.00 0.00 C ATOM 520 O GLU A 34 -0.058 7.467 0.080 1.00 0.00 O ATOM 521 CB GLU A 34 -0.770 10.666 -0.106 1.00 0.00 C ATOM 522 CG GLU A 34 -0.367 12.069 0.317 1.00 0.00 C ATOM 523 CD GLU A 34 -1.200 13.143 -0.356 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.442 13.006 -0.375 1.00 0.00 O ATOM 525 OE2 GLU A 34 -0.612 14.121 -0.862 1.00 0.00 O ATOM 0 H GLU A 34 0.679 10.900 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 34 1.046 9.713 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.411 10.731 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.363 10.212 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.467 12.161 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.685 12.228 0.079 1.00 0.00 H new ATOM 532 N SER A 35 -0.388 8.169 -2.027 1.00 0.00 N ATOM 533 CA SER A 35 -0.805 6.863 -2.497 1.00 0.00 C ATOM 534 C SER A 35 0.429 5.986 -2.662 1.00 0.00 C ATOM 535 O SER A 35 0.335 4.759 -2.692 1.00 0.00 O ATOM 536 CB SER A 35 -1.584 6.979 -3.810 1.00 0.00 C ATOM 537 OG SER A 35 -0.790 6.603 -4.923 1.00 0.00 O ATOM 0 H SER A 35 -0.384 8.898 -2.741 1.00 0.00 H new ATOM 0 HA SER A 35 -1.475 6.407 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.471 6.347 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.930 8.005 -3.939 1.00 0.00 H new ATOM 0 HG SER A 35 -0.815 5.629 -5.028 1.00 0.00 H new ATOM 543 N GLY A 36 1.596 6.634 -2.735 1.00 0.00 N ATOM 544 CA GLY A 36 2.836 5.905 -2.856 1.00 0.00 C ATOM 545 C GLY A 36 3.128 5.122 -1.600 1.00 0.00 C ATOM 546 O GLY A 36 3.751 4.062 -1.647 1.00 0.00 O ATOM 0 H GLY A 36 1.695 7.649 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.781 5.226 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.652 6.600 -3.054 1.00 0.00 H new ATOM 550 N ILE A 37 2.654 5.640 -0.471 1.00 0.00 N ATOM 551 CA ILE A 37 2.847 4.967 0.808 1.00 0.00 C ATOM 552 C ILE A 37 2.091 3.652 0.813 1.00 0.00 C ATOM 553 O ILE A 37 2.615 2.616 1.221 1.00 0.00 O ATOM 554 CB ILE A 37 2.371 5.816 2.010 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.579 7.313 1.758 1.00 0.00 C ATOM 556 CG2 ILE A 37 3.099 5.387 3.276 1.00 0.00 C ATOM 557 CD1 ILE A 37 4.024 7.698 1.546 1.00 0.00 C ATOM 0 H ILE A 37 2.137 6.518 -0.416 1.00 0.00 H new ATOM 0 HA ILE A 37 3.919 4.803 0.918 1.00 0.00 H new ATOM 0 HB ILE A 37 1.302 5.646 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.001 7.609 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.183 7.873 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.756 5.992 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.891 4.336 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.172 5.526 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.093 8.772 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.604 7.434 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.419 7.166 0.681 1.00 0.00 H new ATOM 569 N LEU A 38 0.860 3.710 0.337 1.00 0.00 N ATOM 570 CA LEU A 38 0.010 2.531 0.258 1.00 0.00 C ATOM 571 C LEU A 38 0.588 1.530 -0.736 1.00 0.00 C ATOM 572 O LEU A 38 0.314 0.333 -0.661 1.00 0.00 O ATOM 573 CB LEU A 38 -1.414 2.929 -0.152 1.00 0.00 C ATOM 574 CG LEU A 38 -2.271 1.802 -0.742 1.00 0.00 C ATOM 575 CD1 LEU A 38 -3.690 1.868 -0.200 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.278 1.875 -2.262 1.00 0.00 C ATOM 0 H LEU A 38 0.423 4.566 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.030 2.062 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.926 3.331 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.351 3.735 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.834 0.849 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.282 1.060 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.670 1.765 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.137 2.826 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.891 1.068 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.689 2.834 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.259 1.776 -2.636 1.00 0.00 H new ATOM 588 N LYS A 39 1.392 2.034 -1.665 1.00 0.00 N ATOM 589 CA LYS A 39 2.013 1.190 -2.675 1.00 0.00 C ATOM 590 C LYS A 39 3.105 0.328 -2.063 1.00 0.00 C ATOM 591 O LYS A 39 3.345 -0.792 -2.509 1.00 0.00 O ATOM 592 CB LYS A 39 2.590 2.043 -3.806 1.00 0.00 C ATOM 593 CG LYS A 39 3.145 1.227 -4.962 1.00 0.00 C ATOM 594 CD LYS A 39 4.405 1.857 -5.534 1.00 0.00 C ATOM 595 CE LYS A 39 4.992 1.012 -6.653 1.00 0.00 C ATOM 596 NZ LYS A 39 6.044 0.083 -6.155 1.00 0.00 N ATOM 0 H LYS A 39 1.628 3.024 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 39 1.245 0.535 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.812 2.707 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.382 2.675 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.365 0.215 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.391 1.143 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.176 2.854 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.144 1.978 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.197 0.438 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.416 1.664 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.419 -0.475 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.815 0.631 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.634 -0.557 -5.445 1.00 0.00 H new ATOM 610 N ARG A 40 3.762 0.856 -1.039 1.00 0.00 N ATOM 611 CA ARG A 40 4.831 0.125 -0.367 1.00 0.00 C ATOM 612 C ARG A 40 4.264 -0.927 0.571 1.00 0.00 C ATOM 613 O ARG A 40 4.841 -2.001 0.740 1.00 0.00 O ATOM 614 CB ARG A 40 5.739 1.087 0.402 1.00 0.00 C ATOM 615 CG ARG A 40 6.237 2.255 -0.433 1.00 0.00 C ATOM 616 CD ARG A 40 6.936 1.779 -1.696 1.00 0.00 C ATOM 617 NE ARG A 40 8.054 0.887 -1.400 1.00 0.00 N ATOM 618 CZ ARG A 40 8.835 0.342 -2.330 1.00 0.00 C ATOM 619 NH1 ARG A 40 8.624 0.595 -3.616 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.831 -0.458 -1.974 1.00 0.00 N ATOM 0 H ARG A 40 3.576 1.783 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 40 5.424 -0.381 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.196 1.474 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.597 0.535 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.397 2.897 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.924 2.860 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.219 1.262 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.298 2.641 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 40 8.248 0.669 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.860 1.210 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.226 0.174 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.999 -0.656 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.429 -0.876 -2.687 1.00 0.00 H new ATOM 634 N LEU A 41 3.124 -0.620 1.165 1.00 0.00 N ATOM 635 CA LEU A 41 2.470 -1.551 2.072 1.00 0.00 C ATOM 636 C LEU A 41 1.729 -2.621 1.282 1.00 0.00 C ATOM 637 O LEU A 41 1.457 -3.708 1.793 1.00 0.00 O ATOM 638 CB LEU A 41 1.505 -0.814 3.003 1.00 0.00 C ATOM 639 CG LEU A 41 2.050 0.478 3.619 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.112 0.986 4.702 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.450 0.260 4.181 1.00 0.00 C ATOM 0 H LEU A 41 2.632 0.264 1.037 1.00 0.00 H new ATOM 0 HA LEU A 41 3.235 -2.030 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.598 -0.578 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.217 -1.489 3.809 1.00 0.00 H new ATOM 0 HG LEU A 41 2.113 1.232 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.514 1.905 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.131 1.185 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.017 0.233 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.817 1.191 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.417 -0.510 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.118 -0.057 3.380 1.00 0.00 H new ATOM 653 N LEU A 42 1.421 -2.312 0.027 1.00 0.00 N ATOM 654 CA LEU A 42 0.730 -3.253 -0.839 1.00 0.00 C ATOM 655 C LEU A 42 1.692 -4.334 -1.320 1.00 0.00 C ATOM 656 O LEU A 42 1.273 -5.432 -1.685 1.00 0.00 O ATOM 657 CB LEU A 42 0.106 -2.525 -2.033 1.00 0.00 C ATOM 658 CG LEU A 42 -1.418 -2.632 -2.137 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.838 -4.066 -2.422 1.00 0.00 C ATOM 660 CD2 LEU A 42 -2.081 -2.128 -0.864 1.00 0.00 C ATOM 0 H LEU A 42 1.640 -1.417 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.069 -3.726 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.377 -1.471 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.545 -2.920 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.746 -2.006 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.924 -4.120 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.397 -4.394 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.494 -4.713 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.163 -2.213 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.743 -2.725 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.812 -1.084 -0.702 1.00 0.00 H new ATOM 672 N ILE A 43 2.987 -4.021 -1.308 1.00 0.00 N ATOM 673 CA ILE A 43 3.998 -4.981 -1.734 1.00 0.00 C ATOM 674 C ILE A 43 4.126 -6.112 -0.720 1.00 0.00 C ATOM 675 O ILE A 43 4.438 -7.248 -1.079 1.00 0.00 O ATOM 676 CB ILE A 43 5.380 -4.323 -1.926 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.243 -2.952 -2.593 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.283 -5.228 -2.750 1.00 0.00 C ATOM 679 CD1 ILE A 43 4.398 -2.969 -3.850 1.00 0.00 C ATOM 0 H ILE A 43 3.356 -3.118 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 43 3.668 -5.377 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 43 5.831 -4.178 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.805 -2.253 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.236 -2.576 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.255 -4.752 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.410 -6.181 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.832 -5.400 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.346 -1.963 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.846 -3.642 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.393 -3.314 -3.608 1.00 0.00 H new ATOM 691 N ASN A 44 3.881 -5.795 0.550 1.00 0.00 N ATOM 692 CA ASN A 44 3.968 -6.791 1.613 1.00 0.00 C ATOM 693 C ASN A 44 2.583 -7.294 1.999 1.00 0.00 C ATOM 694 O ASN A 44 2.409 -8.456 2.365 1.00 0.00 O ATOM 695 CB ASN A 44 4.673 -6.206 2.838 1.00 0.00 C ATOM 696 CG ASN A 44 5.590 -7.208 3.510 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.314 -8.407 3.525 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.690 -6.719 4.072 1.00 0.00 N ATOM 0 H ASN A 44 3.622 -4.860 0.866 1.00 0.00 H new ATOM 0 HA ASN A 44 4.550 -7.633 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.252 -5.332 2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.926 -5.863 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.345 -7.345 4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.879 -5.717 4.036 1.00 0.00 H new ATOM 705 N LYS A 45 1.603 -6.407 1.911 1.00 0.00 N ATOM 706 CA LYS A 45 0.221 -6.742 2.245 1.00 0.00 C ATOM 707 C LYS A 45 0.132 -7.416 3.612 1.00 0.00 C ATOM 708 O LYS A 45 0.152 -8.643 3.715 1.00 0.00 O ATOM 709 CB LYS A 45 -0.381 -7.650 1.172 1.00 0.00 C ATOM 710 CG LYS A 45 -0.929 -6.891 -0.026 1.00 0.00 C ATOM 711 CD LYS A 45 -2.329 -6.360 0.243 1.00 0.00 C ATOM 712 CE LYS A 45 -2.292 -5.015 0.951 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.787 -5.111 2.352 1.00 0.00 N ATOM 0 H LYS A 45 1.738 -5.442 1.609 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.348 -5.813 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.381 -8.351 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.182 -8.241 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.264 -6.062 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.949 -7.547 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.868 -6.261 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.880 -7.077 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.271 -4.633 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.900 -4.298 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.698 -4.184 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.785 -5.402 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.224 -5.814 2.872 1.00 0.00 H new ATOM 727 N GLY A 46 0.033 -6.602 4.656 1.00 0.00 N ATOM 728 CA GLY A 46 -0.059 -7.125 6.007 1.00 0.00 C ATOM 729 C GLY A 46 1.273 -7.618 6.534 1.00 0.00 C ATOM 730 O GLY A 46 1.674 -8.753 6.277 1.00 0.00 O ATOM 0 H GLY A 46 0.015 -5.584 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.442 -6.347 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.779 -7.943 6.027 1.00 0.00 H new ATOM 734 N GLN A 47 1.956 -6.753 7.276 1.00 0.00 N ATOM 735 CA GLN A 47 3.253 -7.083 7.852 1.00 0.00 C ATOM 736 C GLN A 47 3.651 -6.042 8.893 1.00 0.00 C ATOM 737 O GLN A 47 3.335 -4.860 8.753 1.00 0.00 O ATOM 738 CB GLN A 47 4.316 -7.162 6.754 1.00 0.00 C ATOM 739 CG GLN A 47 5.698 -7.531 7.267 1.00 0.00 C ATOM 740 CD GLN A 47 5.902 -9.030 7.365 1.00 0.00 C ATOM 741 OE1 GLN A 47 5.368 -9.684 8.261 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.679 -9.583 6.441 1.00 0.00 N ATOM 0 H GLN A 47 1.629 -5.812 7.493 1.00 0.00 H new ATOM 0 HA GLN A 47 3.179 -8.055 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.005 -7.898 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.372 -6.200 6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.453 -7.108 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.849 -7.082 8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.102 -9.003 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.853 -10.588 6.456 1.00 0.00 H new ATOM 751 N LEU A 48 4.341 -6.484 9.939 1.00 0.00 N ATOM 752 CA LEU A 48 4.773 -5.583 11.001 1.00 0.00 C ATOM 753 C LEU A 48 5.866 -4.641 10.504 1.00 0.00 C ATOM 754 O LEU A 48 7.043 -5.000 10.477 1.00 0.00 O ATOM 755 CB LEU A 48 5.274 -6.382 12.206 1.00 0.00 C ATOM 756 CG LEU A 48 4.770 -5.888 13.564 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.195 -4.447 13.798 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.256 -6.019 13.650 1.00 0.00 C ATOM 0 H LEU A 48 4.612 -7.458 10.074 1.00 0.00 H new ATOM 0 HA LEU A 48 3.916 -4.983 11.307 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.976 -7.423 12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.364 -6.360 12.210 1.00 0.00 H new ATOM 0 HG LEU A 48 5.214 -6.508 14.343 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.828 -4.112 14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.283 -4.381 13.779 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.779 -3.813 13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.915 -5.663 14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.794 -5.423 12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.974 -7.065 13.527 1.00 0.00 H new ATOM 770 N CYS A 49 5.466 -3.436 10.112 1.00 0.00 N ATOM 771 CA CYS A 49 6.409 -2.440 9.616 1.00 0.00 C ATOM 772 C CYS A 49 6.155 -1.081 10.262 1.00 0.00 C ATOM 773 O CYS A 49 5.253 -0.348 9.857 1.00 0.00 O ATOM 774 CB CYS A 49 6.306 -2.326 8.093 1.00 0.00 C ATOM 775 SG CYS A 49 7.761 -2.934 7.208 1.00 0.00 S ATOM 0 H CYS A 49 4.495 -3.125 10.128 1.00 0.00 H new ATOM 0 HA CYS A 49 7.416 -2.763 9.881 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.431 -2.881 7.756 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.143 -1.282 7.828 1.00 0.00 H new ATOM 0 HG CYS A 49 7.579 -2.798 5.928 1.00 0.00 H new ATOM 781 N LEU A 50 6.959 -0.753 11.269 1.00 0.00 N ATOM 782 CA LEU A 50 6.828 0.519 11.976 1.00 0.00 C ATOM 783 C LEU A 50 6.841 1.690 11.000 1.00 0.00 C ATOM 784 O LEU A 50 7.564 1.672 10.004 1.00 0.00 O ATOM 785 CB LEU A 50 7.957 0.688 13.001 1.00 0.00 C ATOM 786 CG LEU A 50 8.335 -0.568 13.799 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.127 -1.470 14.013 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.454 -1.326 13.098 1.00 0.00 C ATOM 0 H LEU A 50 7.710 -1.351 11.615 1.00 0.00 H new ATOM 0 HA LEU A 50 5.872 0.510 12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.845 1.043 12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.668 1.468 13.705 1.00 0.00 H new ATOM 0 HG LEU A 50 8.691 -0.250 14.779 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.427 -2.351 14.581 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.360 -0.926 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.728 -1.780 13.047 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.710 -2.214 13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.124 -1.624 12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.330 -0.684 13.012 1.00 0.00 H new ATOM 800 N ARG A 51 6.037 2.708 11.290 1.00 0.00 N ATOM 801 CA ARG A 51 5.960 3.886 10.434 1.00 0.00 C ATOM 802 C ARG A 51 7.320 4.550 10.305 1.00 0.00 C ATOM 803 O ARG A 51 7.644 5.132 9.270 1.00 0.00 O ATOM 804 CB ARG A 51 4.940 4.884 10.985 1.00 0.00 C ATOM 805 CG ARG A 51 5.318 5.454 12.342 1.00 0.00 C ATOM 806 CD ARG A 51 6.103 6.749 12.206 1.00 0.00 C ATOM 807 NE ARG A 51 5.633 7.773 13.136 1.00 0.00 N ATOM 808 CZ ARG A 51 5.886 7.761 14.443 1.00 0.00 C ATOM 809 NH1 ARG A 51 6.606 6.781 14.977 1.00 0.00 N ATOM 810 NH2 ARG A 51 5.418 8.730 15.217 1.00 0.00 N ATOM 0 H ARG A 51 5.431 2.741 12.110 1.00 0.00 H new ATOM 0 HA ARG A 51 5.637 3.563 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.826 5.703 10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.970 4.393 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.415 5.635 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.912 4.724 12.891 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.160 6.553 12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.017 7.120 11.185 1.00 0.00 H new ATOM 0 HE ARG A 51 5.078 8.543 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.968 6.033 14.385 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.797 6.776 15.979 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.864 9.484 14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.612 8.721 16.218 1.00 0.00 H new ATOM 824 N LYS A 52 8.114 4.449 11.357 1.00 0.00 N ATOM 825 CA LYS A 52 9.446 5.032 11.356 1.00 0.00 C ATOM 826 C LYS A 52 10.301 4.372 10.300 1.00 0.00 C ATOM 827 O LYS A 52 10.683 5.001 9.321 1.00 0.00 O ATOM 828 CB LYS A 52 10.100 4.899 12.732 1.00 0.00 C ATOM 829 CG LYS A 52 11.070 6.023 13.055 1.00 0.00 C ATOM 830 CD LYS A 52 12.220 5.535 13.921 1.00 0.00 C ATOM 831 CE LYS A 52 13.533 6.188 13.521 1.00 0.00 C ATOM 832 NZ LYS A 52 13.815 7.407 14.327 1.00 0.00 N ATOM 0 H LYS A 52 7.861 3.970 12.221 1.00 0.00 H new ATOM 0 HA LYS A 52 9.357 6.093 11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.321 4.872 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.629 3.947 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.463 6.443 12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.541 6.825 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.007 5.754 14.967 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.309 4.452 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.347 5.474 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.500 6.451 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.719 7.822 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.052 8.099 14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.872 7.152 15.334 1.00 0.00 H new ATOM 846 N HIS A 53 10.575 3.097 10.493 1.00 0.00 N ATOM 847 CA HIS A 53 11.370 2.337 9.537 1.00 0.00 C ATOM 848 C HIS A 53 10.763 2.446 8.148 1.00 0.00 C ATOM 849 O HIS A 53 11.470 2.374 7.143 1.00 0.00 O ATOM 850 CB HIS A 53 11.466 0.873 9.967 1.00 0.00 C ATOM 851 CG HIS A 53 12.190 0.001 8.988 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.587 -0.538 7.870 1.00 0.00 N ATOM 853 CD2 HIS A 53 13.475 -0.425 8.962 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.469 -1.258 7.200 1.00 0.00 C ATOM 855 NE2 HIS A 53 13.622 -1.205 7.841 1.00 0.00 N ATOM 0 H HIS A 53 10.261 2.561 11.302 1.00 0.00 H new ATOM 0 HA HIS A 53 12.377 2.753 9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.973 0.820 10.931 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.460 0.481 10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.241 -0.195 9.687 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.279 -1.798 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.483 -1.668 7.551 1.00 0.00 H new ATOM 864 N LEU A 54 9.454 2.656 8.098 1.00 0.00 N ATOM 865 CA LEU A 54 8.770 2.815 6.828 1.00 0.00 C ATOM 866 C LEU A 54 9.311 4.049 6.119 1.00 0.00 C ATOM 867 O LEU A 54 9.245 4.159 4.896 1.00 0.00 O ATOM 868 CB LEU A 54 7.259 2.940 7.039 1.00 0.00 C ATOM 869 CG LEU A 54 6.399 2.166 6.036 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.301 1.395 6.754 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.801 3.112 5.005 1.00 0.00 C ATOM 0 H LEU A 54 8.851 2.719 8.918 1.00 0.00 H new ATOM 0 HA LEU A 54 8.951 1.934 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.018 2.594 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.987 3.994 6.991 1.00 0.00 H new ATOM 0 HG LEU A 54 7.037 1.450 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.701 0.852 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.750 0.689 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.665 2.091 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.193 2.545 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.178 3.852 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.603 3.618 4.467 1.00 0.00 H new ATOM 883 N LEU A 55 9.856 4.975 6.905 1.00 0.00 N ATOM 884 CA LEU A 55 10.420 6.200 6.364 1.00 0.00 C ATOM 885 C LEU A 55 11.681 5.916 5.547 1.00 0.00 C ATOM 886 O LEU A 55 12.146 6.772 4.799 1.00 0.00 O ATOM 887 CB LEU A 55 10.691 7.203 7.505 1.00 0.00 C ATOM 888 CG LEU A 55 12.110 7.247 8.115 1.00 0.00 C ATOM 889 CD1 LEU A 55 12.035 7.713 9.560 1.00 0.00 C ATOM 890 CD2 LEU A 55 12.818 5.899 8.050 1.00 0.00 C ATOM 0 H LEU A 55 9.917 4.896 7.920 1.00 0.00 H new ATOM 0 HA LEU A 55 9.697 6.647 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.457 8.201 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.988 6.989 8.311 1.00 0.00 H new ATOM 0 HG LEU A 55 12.693 7.950 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.038 7.742 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.595 8.710 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.418 7.022 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.810 5.988 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.240 5.157 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.911 5.587 7.010 1.00 0.00 H new ATOM 902 N GLU A 56 12.236 4.711 5.700 1.00 0.00 N ATOM 903 CA GLU A 56 13.447 4.333 4.979 1.00 0.00 C ATOM 904 C GLU A 56 13.126 3.803 3.586 1.00 0.00 C ATOM 905 O GLU A 56 13.980 3.812 2.699 1.00 0.00 O ATOM 906 CB GLU A 56 14.228 3.283 5.772 1.00 0.00 C ATOM 907 CG GLU A 56 15.318 3.871 6.653 1.00 0.00 C ATOM 908 CD GLU A 56 16.203 2.808 7.274 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.658 1.840 7.844 1.00 0.00 O ATOM 910 OE2 GLU A 56 17.442 2.945 7.191 1.00 0.00 O ATOM 0 H GLU A 56 11.866 3.986 6.314 1.00 0.00 H new ATOM 0 HA GLU A 56 14.059 5.228 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.533 2.720 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.678 2.575 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.932 4.549 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.860 4.465 7.444 1.00 0.00 H new ATOM 917 N GLU A 57 11.897 3.339 3.396 1.00 0.00 N ATOM 918 CA GLU A 57 11.479 2.805 2.103 1.00 0.00 C ATOM 919 C GLU A 57 10.893 3.896 1.217 1.00 0.00 C ATOM 920 O GLU A 57 10.834 3.748 -0.003 1.00 0.00 O ATOM 921 CB GLU A 57 10.470 1.669 2.289 1.00 0.00 C ATOM 922 CG GLU A 57 9.369 1.987 3.287 1.00 0.00 C ATOM 923 CD GLU A 57 8.266 0.947 3.290 1.00 0.00 C ATOM 924 OE1 GLU A 57 8.530 -0.196 3.718 1.00 0.00 O ATOM 925 OE2 GLU A 57 7.140 1.275 2.862 1.00 0.00 O ATOM 0 H GLU A 57 11.175 3.321 4.116 1.00 0.00 H new ATOM 0 HA GLU A 57 12.364 2.408 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.018 1.435 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.999 0.775 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.799 2.058 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.943 2.963 3.053 1.00 0.00 H new ATOM 932 N ILE A 58 10.490 5.001 1.829 1.00 0.00 N ATOM 933 CA ILE A 58 9.947 6.117 1.075 1.00 0.00 C ATOM 934 C ILE A 58 11.035 7.156 0.837 1.00 0.00 C ATOM 935 O ILE A 58 10.928 7.989 -0.063 1.00 0.00 O ATOM 936 CB ILE A 58 8.738 6.770 1.776 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.836 5.693 2.393 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.959 7.616 0.778 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.507 6.217 2.900 1.00 0.00 C ATOM 0 H ILE A 58 10.529 5.146 2.838 1.00 0.00 H new ATOM 0 HA ILE A 58 9.592 5.724 0.122 1.00 0.00 H new ATOM 0 HB ILE A 58 9.096 7.416 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.649 4.920 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.367 5.219 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.106 8.075 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.607 8.395 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.605 6.984 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.928 5.395 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.682 6.969 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.954 6.665 2.075 1.00 0.00 H new ATOM 951 N LYS A 59 12.103 7.077 1.633 1.00 0.00 N ATOM 952 CA LYS A 59 13.231 7.983 1.489 1.00 0.00 C ATOM 953 C LYS A 59 14.159 7.472 0.396 1.00 0.00 C ATOM 954 O LYS A 59 14.849 8.251 -0.262 1.00 0.00 O ATOM 955 CB LYS A 59 13.994 8.127 2.808 1.00 0.00 C ATOM 956 CG LYS A 59 13.783 9.473 3.486 1.00 0.00 C ATOM 957 CD LYS A 59 13.502 9.319 4.974 1.00 0.00 C ATOM 958 CE LYS A 59 12.060 9.668 5.312 1.00 0.00 C ATOM 959 NZ LYS A 59 11.970 10.600 6.470 1.00 0.00 N ATOM 0 H LYS A 59 12.205 6.393 2.383 1.00 0.00 H new ATOM 0 HA LYS A 59 12.853 8.967 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.682 7.334 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.058 7.986 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.668 10.093 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.951 9.993 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.710 8.294 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.175 9.963 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.583 10.122 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.509 8.755 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.971 10.813 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.402 10.157 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.474 11.482 6.246 1.00 0.00 H new ATOM 973 N ASN A 60 14.155 6.152 0.190 1.00 0.00 N ATOM 974 CA ASN A 60 14.977 5.541 -0.839 1.00 0.00 C ATOM 975 C ASN A 60 14.207 5.485 -2.156 1.00 0.00 C ATOM 976 O ASN A 60 14.350 4.542 -2.935 1.00 0.00 O ATOM 977 CB ASN A 60 15.404 4.134 -0.418 1.00 0.00 C ATOM 978 CG ASN A 60 16.806 3.792 -0.885 1.00 0.00 C ATOM 979 OD1 ASN A 60 17.042 3.581 -2.074 1.00 0.00 O ATOM 980 ND2 ASN A 60 17.744 3.735 0.053 1.00 0.00 N ATOM 0 H ASN A 60 13.590 5.493 0.725 1.00 0.00 H new ATOM 0 HA ASN A 60 15.872 6.147 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.355 4.052 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.701 3.407 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.706 3.509 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.503 3.917 1.027 1.00 0.00 H new ATOM 987 N HIS A 61 13.384 6.503 -2.386 1.00 0.00 N ATOM 988 CA HIS A 61 12.575 6.589 -3.591 1.00 0.00 C ATOM 989 C HIS A 61 12.003 7.996 -3.746 1.00 0.00 C ATOM 990 O HIS A 61 11.985 8.553 -4.844 1.00 0.00 O ATOM 991 CB HIS A 61 11.440 5.563 -3.535 1.00 0.00 C ATOM 992 CG HIS A 61 10.881 5.212 -4.880 1.00 0.00 C ATOM 993 ND1 HIS A 61 11.603 5.322 -6.049 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.658 4.752 -5.238 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.850 4.946 -7.067 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.665 4.594 -6.602 1.00 0.00 N ATOM 0 H HIS A 61 13.261 7.286 -1.744 1.00 0.00 H new ATOM 0 HA HIS A 61 13.206 6.372 -4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.806 4.655 -3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.638 5.954 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.831 4.548 -4.574 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.152 4.929 -8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.883 4.259 -7.164 1.00 0.00 H new ATOM 1005 N ALA A 62 11.542 8.565 -2.635 1.00 0.00 N ATOM 1006 CA ALA A 62 10.974 9.909 -2.636 1.00 0.00 C ATOM 1007 C ALA A 62 10.915 10.477 -1.219 1.00 0.00 C ATOM 1008 O ALA A 62 9.835 10.661 -0.657 1.00 0.00 O ATOM 1009 CB ALA A 62 9.588 9.896 -3.263 1.00 0.00 C ATOM 0 H ALA A 62 11.551 8.114 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 62 11.621 10.553 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.176 10.905 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.657 9.538 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.936 9.235 -2.692 1.00 0.00 H new ATOM 1015 N LYS A 63 12.085 10.747 -0.647 1.00 0.00 N ATOM 1016 CA LYS A 63 12.172 11.289 0.707 1.00 0.00 C ATOM 1017 C LYS A 63 11.475 12.643 0.806 1.00 0.00 C ATOM 1018 O LYS A 63 11.954 13.640 0.267 1.00 0.00 O ATOM 1019 CB LYS A 63 13.637 11.429 1.127 1.00 0.00 C ATOM 1020 CG LYS A 63 14.452 12.323 0.204 1.00 0.00 C ATOM 1021 CD LYS A 63 15.066 13.494 0.956 1.00 0.00 C ATOM 1022 CE LYS A 63 16.498 13.199 1.373 1.00 0.00 C ATOM 1023 NZ LYS A 63 17.370 14.400 1.253 1.00 0.00 N ATOM 0 H LYS A 63 12.987 10.599 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 63 11.668 10.594 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.679 11.831 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.094 10.440 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.242 11.737 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.814 12.698 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.045 14.383 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.467 13.715 1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.510 12.843 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.898 12.396 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.338 14.157 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.379 14.725 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.003 15.158 1.863 1.00 0.00 H new ATOM 1037 N ALA A 64 10.344 12.669 1.506 1.00 0.00 N ATOM 1038 CA ALA A 64 9.578 13.899 1.688 1.00 0.00 C ATOM 1039 C ALA A 64 9.407 14.654 0.373 1.00 0.00 C ATOM 1040 O ALA A 64 10.056 15.674 0.143 1.00 0.00 O ATOM 1041 CB ALA A 64 10.251 14.789 2.723 1.00 0.00 C ATOM 0 H ALA A 64 9.937 11.850 1.958 1.00 0.00 H new ATOM 0 HA ALA A 64 8.585 13.623 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.670 15.703 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.309 14.261 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.257 15.042 2.387 1.00 0.00 H new ATOM 1047 N ILE A 65 8.526 14.149 -0.484 1.00 0.00 N ATOM 1048 CA ILE A 65 8.270 14.782 -1.771 1.00 0.00 C ATOM 1049 C ILE A 65 7.514 16.095 -1.589 1.00 0.00 C ATOM 1050 O ILE A 65 6.292 16.105 -1.442 1.00 0.00 O ATOM 1051 CB ILE A 65 7.467 13.852 -2.705 1.00 0.00 C ATOM 1052 CG1 ILE A 65 7.234 14.524 -4.061 1.00 0.00 C ATOM 1053 CG2 ILE A 65 6.142 13.466 -2.062 1.00 0.00 C ATOM 1054 CD1 ILE A 65 7.124 13.545 -5.209 1.00 0.00 C ATOM 0 H ILE A 65 7.979 13.306 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 65 9.238 14.986 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 65 8.046 12.943 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.321 15.117 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.053 15.215 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.589 12.810 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.331 12.947 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.556 14.365 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.960 14.091 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.046 12.968 -5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.287 12.869 -5.032 1.00 0.00 H new ATOM 1066 N VAL A 66 8.255 17.202 -1.594 1.00 0.00 N ATOM 1067 CA VAL A 66 7.670 18.531 -1.426 1.00 0.00 C ATOM 1068 C VAL A 66 6.629 18.548 -0.306 1.00 0.00 C ATOM 1069 O VAL A 66 5.554 19.132 -0.449 1.00 0.00 O ATOM 1070 CB VAL A 66 7.028 19.036 -2.735 1.00 0.00 C ATOM 1071 CG1 VAL A 66 5.865 18.146 -3.151 1.00 0.00 C ATOM 1072 CG2 VAL A 66 6.578 20.483 -2.587 1.00 0.00 C ATOM 0 H VAL A 66 9.268 17.204 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 66 8.487 19.200 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 66 7.781 18.991 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.430 18.524 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.223 17.129 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.107 18.147 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.128 20.821 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.845 20.556 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.438 21.109 -2.351 1.00 0.00 H new ATOM 1082 N ALA A 67 6.958 17.904 0.809 1.00 0.00 N ATOM 1083 CA ALA A 67 6.056 17.844 1.953 1.00 0.00 C ATOM 1084 C ALA A 67 6.796 18.148 3.252 1.00 0.00 C ATOM 1085 O ALA A 67 7.939 18.605 3.234 1.00 0.00 O ATOM 1086 CB ALA A 67 5.392 16.478 2.029 1.00 0.00 C ATOM 0 H ALA A 67 7.843 17.416 0.945 1.00 0.00 H new ATOM 0 HA ALA A 67 5.286 18.603 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.721 16.447 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.823 16.299 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.156 15.708 2.137 1.00 0.00 H new ATOM 1092 N ARG A 68 6.138 17.892 4.378 1.00 0.00 N ATOM 1093 CA ARG A 68 6.735 18.139 5.685 1.00 0.00 C ATOM 1094 C ARG A 68 7.302 16.855 6.274 1.00 0.00 C ATOM 1095 O ARG A 68 8.408 16.836 6.814 1.00 0.00 O ATOM 1096 CB ARG A 68 5.701 18.740 6.639 1.00 0.00 C ATOM 1097 CG ARG A 68 4.955 19.930 6.057 1.00 0.00 C ATOM 1098 CD ARG A 68 3.585 19.529 5.533 1.00 0.00 C ATOM 1099 NE ARG A 68 2.652 19.224 6.616 1.00 0.00 N ATOM 1100 CZ ARG A 68 2.063 20.149 7.369 1.00 0.00 C ATOM 1101 NH1 ARG A 68 2.309 21.438 7.165 1.00 0.00 N ATOM 1102 NH2 ARG A 68 1.226 19.786 8.331 1.00 0.00 N ATOM 0 H ARG A 68 5.191 17.514 4.411 1.00 0.00 H new ATOM 0 HA ARG A 68 7.551 18.849 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.981 17.969 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.202 19.049 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.842 20.699 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.541 20.368 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.180 20.336 4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.685 18.658 4.885 1.00 0.00 H new ATOM 0 HE ARG A 68 2.440 18.244 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.953 21.724 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.854 22.142 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.034 18.798 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.774 20.495 8.908 1.00 0.00 H new ATOM 1116 N ASN A 69 6.531 15.789 6.160 1.00 0.00 N ATOM 1117 CA ASN A 69 6.933 14.483 6.672 1.00 0.00 C ATOM 1118 C ASN A 69 6.177 13.370 5.955 1.00 0.00 C ATOM 1119 O ASN A 69 5.225 13.630 5.219 1.00 0.00 O ATOM 1120 CB ASN A 69 6.679 14.399 8.178 1.00 0.00 C ATOM 1121 CG ASN A 69 7.431 15.462 8.954 1.00 0.00 C ATOM 1122 OD1 ASN A 69 8.652 15.395 9.098 1.00 0.00 O ATOM 1123 ND2 ASN A 69 6.704 16.452 9.459 1.00 0.00 N ATOM 0 H ASN A 69 5.614 15.799 5.714 1.00 0.00 H new ATOM 0 HA ASN A 69 8.000 14.358 6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.611 14.502 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.974 13.414 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.155 17.196 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.694 16.468 9.315 1.00 0.00 H new ATOM 1130 N VAL A 70 6.603 12.130 6.171 1.00 0.00 N ATOM 1131 CA VAL A 70 5.956 10.988 5.539 1.00 0.00 C ATOM 1132 C VAL A 70 4.748 10.521 6.345 1.00 0.00 C ATOM 1133 O VAL A 70 3.828 9.910 5.803 1.00 0.00 O ATOM 1134 CB VAL A 70 6.935 9.809 5.345 1.00 0.00 C ATOM 1135 CG1 VAL A 70 7.180 9.070 6.654 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.411 8.857 4.283 1.00 0.00 C ATOM 0 H VAL A 70 7.389 11.892 6.776 1.00 0.00 H new ATOM 0 HA VAL A 70 5.620 11.323 4.557 1.00 0.00 H new ATOM 0 HB VAL A 70 7.890 10.216 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.873 8.246 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.606 9.757 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.236 8.677 7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.111 8.031 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.441 8.467 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.304 9.389 3.338 1.00 0.00 H new ATOM 1146 N ASP A 71 4.759 10.817 7.640 1.00 0.00 N ATOM 1147 CA ASP A 71 3.663 10.430 8.521 1.00 0.00 C ATOM 1148 C ASP A 71 2.448 11.315 8.289 1.00 0.00 C ATOM 1149 O ASP A 71 1.307 10.865 8.390 1.00 0.00 O ATOM 1150 CB ASP A 71 4.102 10.507 9.985 1.00 0.00 C ATOM 1151 CG ASP A 71 3.814 9.225 10.743 1.00 0.00 C ATOM 1152 OD1 ASP A 71 4.075 8.136 10.189 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.327 9.310 11.889 1.00 0.00 O ATOM 0 H ASP A 71 5.514 11.323 8.103 1.00 0.00 H new ATOM 0 HA ASP A 71 3.388 9.400 8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.170 10.721 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.590 11.337 10.472 1.00 0.00 H new ATOM 1158 N VAL A 72 2.705 12.572 7.966 1.00 0.00 N ATOM 1159 CA VAL A 72 1.636 13.526 7.704 1.00 0.00 C ATOM 1160 C VAL A 72 0.977 13.234 6.364 1.00 0.00 C ATOM 1161 O VAL A 72 -0.193 13.552 6.151 1.00 0.00 O ATOM 1162 CB VAL A 72 2.153 14.977 7.711 1.00 0.00 C ATOM 1163 CG1 VAL A 72 0.998 15.959 7.588 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.962 15.251 8.971 1.00 0.00 C ATOM 0 H VAL A 72 3.645 12.957 7.878 1.00 0.00 H new ATOM 0 HA VAL A 72 0.904 13.417 8.504 1.00 0.00 H new ATOM 0 HB VAL A 72 2.807 15.112 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.385 16.978 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.465 15.779 6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.315 15.824 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.319 16.281 8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.333 15.096 9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.814 14.572 9.011 1.00 0.00 H new ATOM 1174 N HIS A 73 1.735 12.614 5.470 1.00 0.00 N ATOM 1175 CA HIS A 73 1.228 12.261 4.153 1.00 0.00 C ATOM 1176 C HIS A 73 0.289 11.064 4.246 1.00 0.00 C ATOM 1177 O HIS A 73 -0.553 10.853 3.374 1.00 0.00 O ATOM 1178 CB HIS A 73 2.385 11.950 3.200 1.00 0.00 C ATOM 1179 CG HIS A 73 2.658 13.045 2.216 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.224 12.821 0.978 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.438 14.379 2.291 1.00 0.00 C ATOM 1182 CE1 HIS A 73 3.341 13.969 0.335 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.871 14.929 1.110 1.00 0.00 N ATOM 0 H HIS A 73 2.705 12.345 5.634 1.00 0.00 H new ATOM 0 HA HIS A 73 0.671 13.112 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.286 11.764 3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.161 11.032 2.657 1.00 0.00 H new ATOM 0 HD1 HIS A 73 3.508 11.911 0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.003 14.911 3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.751 14.100 -0.655 1.00 0.00 H new ATOM 1192 N ILE A 74 0.435 10.287 5.315 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.406 9.116 5.524 1.00 0.00 C ATOM 1194 C ILE A 74 -1.811 9.531 5.927 1.00 0.00 C ATOM 1195 O ILE A 74 -2.794 8.891 5.555 1.00 0.00 O ATOM 1196 CB ILE A 74 0.167 8.176 6.606 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.693 8.100 6.511 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.444 6.789 6.476 1.00 0.00 C ATOM 1199 CD1 ILE A 74 2.204 7.817 5.115 1.00 0.00 C ATOM 0 H ILE A 74 1.126 10.448 6.048 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.433 8.577 4.577 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.091 8.582 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.117 9.042 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.051 7.321 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.031 6.136 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.525 6.855 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.214 6.381 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.293 7.778 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.810 6.861 4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.877 8.608 4.440 1.00 0.00 H new ATOM 1211 N ALA A 75 -1.895 10.612 6.689 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.177 11.126 7.145 1.00 0.00 C ATOM 1213 C ALA A 75 -3.950 11.734 5.991 1.00 0.00 C ATOM 1214 O ALA A 75 -5.148 11.496 5.833 1.00 0.00 O ATOM 1215 CB ALA A 75 -2.980 12.145 8.258 1.00 0.00 C ATOM 0 H ALA A 75 -1.088 11.151 7.005 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.758 10.294 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.950 12.518 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.470 11.673 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.378 12.975 7.889 1.00 0.00 H new ATOM 1221 N SER A 76 -3.250 12.502 5.178 1.00 0.00 N ATOM 1222 CA SER A 76 -3.859 13.132 4.016 1.00 0.00 C ATOM 1223 C SER A 76 -4.275 12.073 3.011 1.00 0.00 C ATOM 1224 O SER A 76 -5.198 12.277 2.222 1.00 0.00 O ATOM 1225 CB SER A 76 -2.894 14.129 3.372 1.00 0.00 C ATOM 1226 OG SER A 76 -2.669 15.242 4.219 1.00 0.00 O ATOM 0 H SER A 76 -2.258 12.706 5.299 1.00 0.00 H new ATOM 0 HA SER A 76 -4.744 13.679 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.947 13.635 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.300 14.469 2.419 1.00 0.00 H new ATOM 0 HG SER A 76 -2.048 15.863 3.785 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.602 10.931 3.058 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.921 9.834 2.165 1.00 0.00 C ATOM 1234 C LEU A 77 -5.315 9.319 2.465 1.00 0.00 C ATOM 1235 O LEU A 77 -6.060 8.934 1.565 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.909 8.700 2.308 1.00 0.00 C ATOM 1237 CG LEU A 77 -3.135 7.528 1.357 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -3.130 8.008 -0.085 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.081 6.455 1.571 1.00 0.00 C ATOM 0 H LEU A 77 -2.835 10.744 3.704 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.880 10.202 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.909 9.099 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.938 8.331 3.333 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.111 7.092 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.292 7.161 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.925 8.739 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.169 8.469 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.259 5.628 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.092 6.874 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.135 6.092 2.597 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.662 9.329 3.744 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.972 8.873 4.185 1.00 0.00 C ATOM 1253 C ARG A 78 -8.078 9.651 3.481 1.00 0.00 C ATOM 1254 O ARG A 78 -9.210 9.179 3.373 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.107 9.023 5.702 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.781 7.837 6.372 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.764 7.968 7.886 1.00 0.00 C ATOM 1258 NE ARG A 78 -8.889 7.275 8.508 1.00 0.00 N ATOM 1259 CZ ARG A 78 -8.961 6.994 9.807 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -7.975 7.345 10.625 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -10.020 6.361 10.291 1.00 0.00 N ATOM 0 H ARG A 78 -5.052 9.649 4.497 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.071 7.819 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.116 9.160 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.678 9.926 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.811 7.759 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.275 6.917 6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.829 7.563 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.792 9.023 8.159 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.666 6.989 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.157 7.832 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.036 7.127 11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.780 6.089 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.075 6.146 11.287 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.743 10.845 3.001 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.713 11.682 2.306 1.00 0.00 C ATOM 1277 C LYS A 79 -8.871 11.251 0.856 1.00 0.00 C ATOM 1278 O LYS A 79 -9.970 10.929 0.404 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.296 13.152 2.373 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.742 13.853 3.646 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.663 15.364 3.506 1.00 0.00 C ATOM 1282 CE LYS A 79 -8.955 16.062 4.825 1.00 0.00 C ATOM 1283 NZ LYS A 79 -8.092 17.259 5.023 1.00 0.00 N ATOM 0 H LYS A 79 -6.811 11.252 3.080 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.675 11.563 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.211 13.217 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.711 13.678 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.765 13.562 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.117 13.530 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.670 15.647 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.375 15.698 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.003 16.361 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.801 15.363 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.322 17.706 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.093 16.971 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.257 17.938 4.252 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.764 11.251 0.137 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.758 10.865 -1.268 1.00 0.00 C ATOM 1299 C LYS A 80 -7.983 9.369 -1.427 1.00 0.00 C ATOM 1300 O LYS A 80 -8.867 8.931 -2.163 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.434 11.270 -1.921 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.605 12.123 -3.168 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.425 13.061 -3.366 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.679 14.418 -2.729 1.00 0.00 C ATOM 1305 NZ LYS A 80 -4.460 14.958 -2.065 1.00 0.00 N ATOM 0 H LYS A 80 -6.849 11.516 0.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.576 11.386 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.834 11.819 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.876 10.370 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.709 11.478 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.524 12.704 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.529 12.617 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.235 13.188 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.017 15.119 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.482 14.331 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.733 15.697 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.969 14.191 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.825 15.364 -2.782 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.168 8.596 -0.733 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.248 7.138 -0.780 1.00 0.00 C ATOM 1321 C LEU A 81 -8.668 6.646 -0.510 1.00 0.00 C ATOM 1322 O LEU A 81 -9.344 6.154 -1.413 1.00 0.00 O ATOM 1323 CB LEU A 81 -6.282 6.532 0.239 1.00 0.00 C ATOM 1324 CG LEU A 81 -6.198 5.006 0.243 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.205 4.455 -1.175 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.950 4.550 0.983 1.00 0.00 C ATOM 0 H LEU A 81 -6.434 8.954 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.969 6.818 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.286 6.932 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.577 6.864 1.234 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.076 4.618 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.144 3.367 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.126 4.752 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.350 4.850 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.902 3.461 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.066 4.954 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.986 4.907 2.012 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.117 6.783 0.734 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.458 6.349 1.086 1.00 0.00 C ATOM 1340 C GLY A 82 -10.478 5.332 2.214 1.00 0.00 C ATOM 1341 O GLY A 82 -10.026 5.614 3.323 1.00 0.00 O ATOM 0 H GLY A 82 -8.579 7.185 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.050 7.217 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.936 5.917 0.207 1.00 0.00 H new ATOM 1345 N ALA A 83 -11.018 4.150 1.928 1.00 0.00 N ATOM 1346 CA ALA A 83 -11.117 3.084 2.923 1.00 0.00 C ATOM 1347 C ALA A 83 -9.798 2.332 3.096 1.00 0.00 C ATOM 1348 O ALA A 83 -9.654 1.529 4.018 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.225 2.114 2.540 1.00 0.00 C ATOM 0 H ALA A 83 -11.395 3.905 1.012 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.354 3.551 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.291 1.323 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.174 2.647 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.004 1.676 1.567 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.838 2.591 2.216 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.543 1.931 2.292 1.00 0.00 C ATOM 1357 C TYR A 84 -6.591 2.731 3.173 1.00 0.00 C ATOM 1358 O TYR A 84 -5.677 2.175 3.778 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.943 1.752 0.896 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.818 0.965 -0.053 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -9.024 1.482 -0.511 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -7.434 -0.293 -0.496 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.822 0.766 -1.381 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -8.226 -1.015 -1.367 1.00 0.00 C ATOM 1365 CZ TYR A 84 -9.420 -0.482 -1.806 1.00 0.00 C ATOM 1366 OH TYR A 84 -10.213 -1.197 -2.673 1.00 0.00 O ATOM 0 H TYR A 84 -8.932 3.251 1.444 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.688 0.945 2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.750 2.735 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.980 1.250 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.342 2.460 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.500 -0.714 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.757 1.182 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.912 -1.992 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.539 -2.006 -2.226 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.818 4.039 3.259 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.974 4.876 4.090 1.00 0.00 C ATOM 1378 C GLY A 85 -5.902 4.356 5.511 1.00 0.00 C ATOM 1379 O GLY A 85 -4.933 4.605 6.227 1.00 0.00 O ATOM 0 H GLY A 85 -7.567 4.531 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.971 4.918 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.361 5.895 4.094 1.00 0.00 H new ATOM 1383 N SER A 86 -6.935 3.620 5.911 1.00 0.00 N ATOM 1384 CA SER A 86 -6.994 3.045 7.245 1.00 0.00 C ATOM 1385 C SER A 86 -6.141 1.783 7.329 1.00 0.00 C ATOM 1386 O SER A 86 -5.807 1.324 8.421 1.00 0.00 O ATOM 1387 CB SER A 86 -8.441 2.725 7.625 1.00 0.00 C ATOM 1388 OG SER A 86 -8.608 2.710 9.032 1.00 0.00 O ATOM 0 H SER A 86 -7.743 3.409 5.326 1.00 0.00 H new ATOM 0 HA SER A 86 -6.598 3.778 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.108 3.466 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.723 1.757 7.212 1.00 0.00 H new ATOM 0 HG SER A 86 -9.541 2.505 9.248 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.786 1.222 6.172 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.966 0.012 6.139 1.00 0.00 C ATOM 1396 C ARG A 87 -3.685 0.196 6.952 1.00 0.00 C ATOM 1397 O ARG A 87 -3.093 -0.776 7.422 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.623 -0.372 4.699 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.770 -1.858 4.419 1.00 0.00 C ATOM 1400 CD ARG A 87 -5.931 -2.134 3.476 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.216 -2.111 4.172 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.368 -1.764 3.600 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -8.407 -1.418 2.319 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.486 -1.767 4.313 1.00 0.00 N ATOM 0 H ARG A 87 -6.050 1.582 5.255 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.546 -0.795 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.269 0.184 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.598 -0.069 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.847 -2.241 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.926 -2.392 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.936 -1.390 2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.792 -3.106 3.003 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.232 -2.377 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.551 -1.416 1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.293 -1.154 1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.463 -2.035 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.369 -1.502 3.877 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.266 1.448 7.122 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.059 1.754 7.888 1.00 0.00 C ATOM 1420 C ILE A 88 -2.383 1.839 9.377 1.00 0.00 C ATOM 1421 O ILE A 88 -2.774 2.896 9.875 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.406 3.086 7.437 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.799 3.440 5.997 1.00 0.00 C ATOM 1424 CG2 ILE A 88 0.109 3.005 7.565 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.602 2.307 5.013 1.00 0.00 C ATOM 0 H ILE A 88 -3.743 2.265 6.741 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.352 0.945 7.704 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.774 3.876 8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.845 3.745 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.212 4.298 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.552 3.948 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.377 2.813 8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.484 2.196 6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.902 2.634 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.552 2.016 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.211 1.454 5.313 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.231 0.721 10.085 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.523 0.681 11.514 1.00 0.00 C ATOM 1439 C VAL A 89 -1.393 1.289 12.337 1.00 0.00 C ATOM 1440 O VAL A 89 -0.248 1.356 11.891 1.00 0.00 O ATOM 1441 CB VAL A 89 -2.771 -0.761 11.996 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.258 -0.770 13.436 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -3.766 -1.465 11.086 1.00 0.00 C ATOM 0 H VAL A 89 -1.909 -0.164 9.694 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.427 1.272 11.661 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.827 -1.304 11.954 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.427 -1.798 13.757 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.507 -0.309 14.077 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.190 -0.210 13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.928 -2.482 11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.712 -0.923 11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.372 -1.495 10.070 1.00 0.00 H new ATOM 1453 N THR A 90 -1.730 1.725 13.546 1.00 0.00 N ATOM 1454 CA THR A 90 -0.756 2.324 14.450 1.00 0.00 C ATOM 1455 C THR A 90 -1.025 1.879 15.884 1.00 0.00 C ATOM 1456 O THR A 90 -1.708 2.570 16.640 1.00 0.00 O ATOM 1457 CB THR A 90 -0.808 3.849 14.357 1.00 0.00 C ATOM 1458 OG1 THR A 90 0.033 4.440 15.331 1.00 0.00 O ATOM 1459 CG2 THR A 90 -2.200 4.412 14.550 1.00 0.00 C ATOM 0 H THR A 90 -2.676 1.674 13.924 1.00 0.00 H new ATOM 0 HA THR A 90 0.239 1.990 14.157 1.00 0.00 H new ATOM 0 HB THR A 90 -0.472 4.089 13.348 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.013 5.416 15.254 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.167 5.499 14.472 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.863 4.013 13.783 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.573 4.130 15.534 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.496 0.716 16.246 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.692 0.174 17.586 1.00 0.00 C ATOM 1469 C LEU A 91 0.377 0.677 18.552 1.00 0.00 C ATOM 1470 O LEU A 91 1.562 0.708 18.222 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.678 -1.357 17.543 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.058 -2.017 17.573 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -2.781 -1.801 16.253 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.931 -3.502 17.879 1.00 0.00 C ATOM 0 H LEU A 91 0.071 0.131 15.632 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.662 0.517 17.946 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.159 -1.675 16.639 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.098 -1.724 18.390 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.646 -1.553 18.365 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.761 -2.277 16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.904 -0.732 16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.198 -2.238 15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.922 -3.956 17.897 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.326 -3.982 17.110 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.454 -3.634 18.850 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.053 1.062 19.751 1.00 0.00 N ATOM 1487 CA ARG A 92 0.866 1.554 20.770 1.00 0.00 C ATOM 1488 C ARG A 92 1.572 0.388 21.456 1.00 0.00 C ATOM 1489 O ARG A 92 1.319 0.089 22.624 1.00 0.00 O ATOM 1490 CB ARG A 92 0.114 2.404 21.800 1.00 0.00 C ATOM 1491 CG ARG A 92 0.437 3.887 21.714 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.717 4.738 22.218 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.272 6.061 22.649 1.00 0.00 N ATOM 1494 CZ ARG A 92 -1.024 6.901 23.358 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -2.255 6.560 23.716 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -0.542 8.085 23.709 1.00 0.00 N ATOM 0 H ARG A 92 -1.031 1.042 20.039 1.00 0.00 H new ATOM 0 HA ARG A 92 1.618 2.179 20.288 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.958 2.265 21.661 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.355 2.045 22.801 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.331 4.100 22.300 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.662 4.152 20.681 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.461 4.845 21.428 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.206 4.231 23.050 1.00 0.00 H new ATOM 0 HE ARG A 92 0.669 6.359 22.392 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.630 5.650 23.448 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.826 7.208 24.259 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.404 8.352 23.436 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.117 8.729 24.252 1.00 0.00 H new ATOM 1510 N GLY A 93 2.454 -0.269 20.714 1.00 0.00 N ATOM 1511 CA GLY A 93 3.187 -1.401 21.246 1.00 0.00 C ATOM 1512 C GLY A 93 3.873 -2.191 20.151 1.00 0.00 C ATOM 1513 O GLY A 93 5.054 -2.520 20.258 1.00 0.00 O ATOM 0 H GLY A 93 2.676 -0.036 19.746 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.931 -1.049 21.961 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.504 -2.053 21.791 1.00 0.00 H new ATOM 1517 N VAL A 94 3.130 -2.482 19.088 1.00 0.00 N ATOM 1518 CA VAL A 94 3.671 -3.225 17.956 1.00 0.00 C ATOM 1519 C VAL A 94 4.227 -2.263 16.913 1.00 0.00 C ATOM 1520 O VAL A 94 5.242 -2.539 16.274 1.00 0.00 O ATOM 1521 CB VAL A 94 2.607 -4.123 17.285 1.00 0.00 C ATOM 1522 CG1 VAL A 94 3.240 -5.409 16.777 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.464 -4.430 18.243 1.00 0.00 C ATOM 0 H VAL A 94 2.151 -2.214 18.987 1.00 0.00 H new ATOM 0 HA VAL A 94 4.463 -3.864 18.346 1.00 0.00 H new ATOM 0 HB VAL A 94 2.194 -3.580 16.435 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.477 -6.029 16.307 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.013 -5.170 16.047 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.684 -5.950 17.612 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.731 -5.063 17.744 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.853 -4.948 19.120 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.989 -3.499 18.552 1.00 0.00 H new ATOM 1533 N GLY A 95 3.550 -1.131 16.751 1.00 0.00 N ATOM 1534 CA GLY A 95 3.981 -0.136 15.790 1.00 0.00 C ATOM 1535 C GLY A 95 2.990 0.048 14.663 1.00 0.00 C ATOM 1536 O GLY A 95 1.824 0.368 14.897 1.00 0.00 O ATOM 0 H GLY A 95 2.707 -0.886 17.271 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.128 0.816 16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.946 -0.429 15.377 1.00 0.00 H new ATOM 1540 N TYR A 96 3.453 -0.153 13.437 1.00 0.00 N ATOM 1541 CA TYR A 96 2.602 -0.006 12.266 1.00 0.00 C ATOM 1542 C TYR A 96 2.318 -1.363 11.636 1.00 0.00 C ATOM 1543 O TYR A 96 3.233 -2.056 11.192 1.00 0.00 O ATOM 1544 CB TYR A 96 3.265 0.923 11.247 1.00 0.00 C ATOM 1545 CG TYR A 96 2.646 2.301 11.194 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.355 2.996 12.361 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.355 2.908 9.979 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.790 4.256 12.319 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.791 4.169 9.929 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.511 4.838 11.101 1.00 0.00 C ATOM 1551 OH TYR A 96 0.949 6.094 11.055 1.00 0.00 O ATOM 0 H TYR A 96 4.415 -0.419 13.228 1.00 0.00 H new ATOM 0 HA TYR A 96 1.655 0.433 12.579 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.324 1.018 11.489 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.204 0.468 10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.574 2.544 13.317 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.573 2.386 9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.568 4.782 13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.571 4.628 8.976 1.00 0.00 H new ATOM 0 HH TYR A 96 0.817 6.359 10.121 1.00 0.00 H new ATOM 1561 N LEU A 97 1.046 -1.742 11.609 1.00 0.00 N ATOM 1562 CA LEU A 97 0.646 -3.024 11.042 1.00 0.00 C ATOM 1563 C LEU A 97 -0.368 -2.841 9.921 1.00 0.00 C ATOM 1564 O LEU A 97 -1.355 -2.125 10.072 1.00 0.00 O ATOM 1565 CB LEU A 97 0.057 -3.920 12.137 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.527 -5.261 11.673 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.976 -5.093 11.246 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.300 -5.860 10.542 1.00 0.00 C ATOM 0 H LEU A 97 0.275 -1.181 11.972 1.00 0.00 H new ATOM 0 HA LEU A 97 1.533 -3.498 10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.837 -4.122 12.871 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.728 -3.364 12.650 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.492 -5.952 12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.373 -6.054 10.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.563 -4.724 12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.033 -4.380 10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.138 -6.810 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.310 -5.174 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.321 -6.026 10.886 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.128 -3.507 8.801 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.037 -3.428 7.668 1.00 0.00 C ATOM 1582 C PHE A 98 -2.152 -4.456 7.836 1.00 0.00 C ATOM 1583 O PHE A 98 -1.983 -5.637 7.541 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.287 -3.646 6.350 1.00 0.00 C ATOM 1585 CG PHE A 98 1.094 -3.053 6.335 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.323 -1.781 6.837 1.00 0.00 C ATOM 1587 CD2 PHE A 98 2.164 -3.768 5.820 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.592 -1.235 6.826 1.00 0.00 C ATOM 1589 CE2 PHE A 98 3.435 -3.226 5.806 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.649 -1.958 6.309 1.00 0.00 C ATOM 0 H PHE A 98 0.685 -4.105 8.653 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.476 -2.431 7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.215 -4.716 6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.868 -3.212 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.500 -1.210 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.002 -4.760 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.757 -0.244 7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.260 -3.794 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.641 -1.532 6.298 1.00 0.00 H new ATOM 1600 N SER A 99 -3.281 -3.992 8.350 1.00 0.00 N ATOM 1601 CA SER A 99 -4.441 -4.847 8.614 1.00 0.00 C ATOM 1602 C SER A 99 -4.659 -5.895 7.523 1.00 0.00 C ATOM 1603 O SER A 99 -4.473 -5.631 6.336 1.00 0.00 O ATOM 1604 CB SER A 99 -5.699 -3.990 8.761 1.00 0.00 C ATOM 1605 OG SER A 99 -6.869 -4.788 8.711 1.00 0.00 O ATOM 0 H SER A 99 -3.424 -3.013 8.598 1.00 0.00 H new ATOM 0 HA SER A 99 -4.239 -5.381 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.665 -3.448 9.706 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.730 -3.244 7.967 1.00 0.00 H new ATOM 0 HG SER A 99 -7.640 -4.256 8.997 1.00 0.00 H new ATOM 1611 N ASP A 100 -5.060 -7.088 7.957 1.00 0.00 N ATOM 1612 CA ASP A 100 -5.319 -8.208 7.056 1.00 0.00 C ATOM 1613 C ASP A 100 -6.502 -7.924 6.135 1.00 0.00 C ATOM 1614 O ASP A 100 -6.687 -8.601 5.127 1.00 0.00 O ATOM 1615 CB ASP A 100 -5.609 -9.461 7.876 1.00 0.00 C ATOM 1616 CG ASP A 100 -4.542 -10.525 7.712 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -3.374 -10.162 7.462 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -4.875 -11.723 7.834 1.00 0.00 O ATOM 0 H ASP A 100 -5.214 -7.305 8.942 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.434 -8.356 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.689 -9.191 8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.574 -9.871 7.578 1.00 0.00 H new ATOM 1623 N ASP A 101 -7.304 -6.937 6.514 1.00 0.00 N ATOM 1624 CA ASP A 101 -8.498 -6.533 5.763 1.00 0.00 C ATOM 1625 C ASP A 101 -8.185 -6.143 4.309 1.00 0.00 C ATOM 1626 O ASP A 101 -8.568 -5.065 3.854 1.00 0.00 O ATOM 1627 CB ASP A 101 -9.190 -5.371 6.481 1.00 0.00 C ATOM 1628 CG ASP A 101 -10.407 -5.820 7.266 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -10.289 -6.794 8.039 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -11.478 -5.198 7.107 1.00 0.00 O ATOM 0 H ASP A 101 -7.147 -6.386 7.358 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.161 -7.397 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.482 -4.891 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.490 -4.621 5.749 1.00 0.00 H new ATOM 1635 N GLY A 102 -7.491 -7.016 3.584 1.00 0.00 N ATOM 1636 CA GLY A 102 -7.149 -6.733 2.203 1.00 0.00 C ATOM 1637 C GLY A 102 -5.752 -7.197 1.843 1.00 0.00 C ATOM 1638 O GLY A 102 -4.900 -6.393 1.465 1.00 0.00 O ATOM 0 H GLY A 102 -7.159 -7.916 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.870 -7.220 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.229 -5.661 2.025 1.00 0.00 H new ATOM 1642 N ASP A 103 -5.521 -8.501 1.960 1.00 0.00 N ATOM 1643 CA ASP A 103 -4.224 -9.081 1.644 1.00 0.00 C ATOM 1644 C ASP A 103 -4.005 -9.127 0.134 1.00 0.00 C ATOM 1645 O ASP A 103 -4.861 -8.699 -0.640 1.00 0.00 O ATOM 1646 CB ASP A 103 -4.115 -10.490 2.234 1.00 0.00 C ATOM 1647 CG ASP A 103 -2.889 -10.656 3.111 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -2.851 -10.047 4.200 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -1.967 -11.396 2.708 1.00 0.00 O ATOM 0 H ASP A 103 -6.219 -9.176 2.272 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.452 -8.451 2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.009 -10.706 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.080 -11.219 1.424 1.00 0.00 H new ATOM 1654 N LYS A 104 -2.854 -9.650 -0.278 1.00 0.00 N ATOM 1655 CA LYS A 104 -2.521 -9.754 -1.685 1.00 0.00 C ATOM 1656 C LYS A 104 -3.541 -10.612 -2.427 1.00 0.00 C ATOM 1657 O LYS A 104 -4.149 -11.512 -1.847 1.00 0.00 O ATOM 1658 CB LYS A 104 -1.127 -10.354 -1.830 1.00 0.00 C ATOM 1659 CG LYS A 104 -0.980 -11.720 -1.181 1.00 0.00 C ATOM 1660 CD LYS A 104 0.476 -12.048 -0.898 1.00 0.00 C ATOM 1661 CE LYS A 104 0.608 -13.240 0.035 1.00 0.00 C ATOM 1662 NZ LYS A 104 2.001 -13.403 0.535 1.00 0.00 N ATOM 0 H LYS A 104 -2.136 -10.009 0.351 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.539 -8.756 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.885 -10.437 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.400 -9.672 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.547 -11.745 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.405 -12.482 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.991 -12.260 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.965 -11.181 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.069 -13.116 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.302 -14.146 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.306 -14.388 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.635 -12.767 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.036 -13.168 1.548 1.00 0.00 H new ATOM 1676 N LYS A 105 -3.726 -10.326 -3.712 1.00 0.00 N ATOM 1677 CA LYS A 105 -4.671 -11.069 -4.529 1.00 0.00 C ATOM 1678 C LYS A 105 -3.986 -12.229 -5.243 1.00 0.00 C ATOM 1679 O LYS A 105 -3.145 -12.023 -6.118 1.00 0.00 O ATOM 1680 CB LYS A 105 -5.334 -10.145 -5.551 1.00 0.00 C ATOM 1681 CG LYS A 105 -6.722 -10.601 -5.970 1.00 0.00 C ATOM 1682 CD LYS A 105 -7.787 -10.104 -5.005 1.00 0.00 C ATOM 1683 CE LYS A 105 -8.252 -11.209 -4.069 1.00 0.00 C ATOM 1684 NZ LYS A 105 -8.961 -10.666 -2.878 1.00 0.00 N ATOM 0 H LYS A 105 -3.232 -9.584 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.436 -11.477 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.401 -9.141 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.700 -10.079 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.939 -10.234 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.750 -11.690 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.391 -9.274 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.638 -9.720 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.914 -11.887 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.392 -11.795 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.262 -11.451 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.321 -10.039 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.796 -10.128 -3.186 1.00 0.00 H new ATOM 1698 N PHE A 106 -4.352 -13.449 -4.865 1.00 0.00 N ATOM 1699 CA PHE A 106 -3.775 -14.642 -5.469 1.00 0.00 C ATOM 1700 C PHE A 106 -4.201 -14.773 -6.928 1.00 0.00 C ATOM 1701 O PHE A 106 -5.368 -15.033 -7.224 1.00 0.00 O ATOM 1702 CB PHE A 106 -4.193 -15.888 -4.685 1.00 0.00 C ATOM 1703 CG PHE A 106 -3.034 -16.743 -4.257 1.00 0.00 C ATOM 1704 CD1 PHE A 106 -2.190 -16.329 -3.239 1.00 0.00 C ATOM 1705 CD2 PHE A 106 -2.790 -17.960 -4.873 1.00 0.00 C ATOM 1706 CE1 PHE A 106 -1.123 -17.114 -2.843 1.00 0.00 C ATOM 1707 CE2 PHE A 106 -1.725 -18.749 -4.481 1.00 0.00 C ATOM 1708 CZ PHE A 106 -0.891 -18.325 -3.465 1.00 0.00 C ATOM 0 H PHE A 106 -5.047 -13.637 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.689 -14.549 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.753 -15.581 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.867 -16.485 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.368 -15.383 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.439 -18.296 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.472 -16.781 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.545 -19.696 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.058 -18.940 -3.157 1.00 0.00 H new ATOM 1718 N SER A 107 -3.248 -14.592 -7.836 1.00 0.00 N ATOM 1719 CA SER A 107 -3.525 -14.690 -9.265 1.00 0.00 C ATOM 1720 C SER A 107 -4.054 -16.075 -9.624 1.00 0.00 C ATOM 1721 O SER A 107 -3.722 -17.065 -8.972 1.00 0.00 O ATOM 1722 CB SER A 107 -2.261 -14.389 -10.072 1.00 0.00 C ATOM 1723 OG SER A 107 -2.579 -14.055 -11.412 1.00 0.00 O ATOM 0 H SER A 107 -2.277 -14.377 -7.608 1.00 0.00 H new ATOM 0 HA SER A 107 -4.290 -13.954 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.717 -13.566 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.601 -15.256 -10.057 1.00 0.00 H new ATOM 0 HG SER A 107 -1.754 -13.865 -11.906 1.00 0.00 H new ATOM 1729 N GLN A 108 -4.879 -16.136 -10.664 1.00 0.00 N ATOM 1730 CA GLN A 108 -5.454 -17.400 -11.110 1.00 0.00 C ATOM 1731 C GLN A 108 -4.361 -18.381 -11.521 1.00 0.00 C ATOM 1732 O GLN A 108 -4.162 -19.410 -10.876 1.00 0.00 O ATOM 1733 CB GLN A 108 -6.410 -17.164 -12.281 1.00 0.00 C ATOM 1734 CG GLN A 108 -7.816 -16.782 -11.851 1.00 0.00 C ATOM 1735 CD GLN A 108 -8.612 -17.967 -11.341 1.00 0.00 C ATOM 1736 OE1 GLN A 108 -8.291 -19.118 -11.636 1.00 0.00 O ATOM 1737 NE2 GLN A 108 -9.658 -17.691 -10.571 1.00 0.00 N ATOM 0 H GLN A 108 -5.164 -15.325 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 108 -6.009 -17.831 -10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.006 -16.375 -12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.458 -18.068 -12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.760 -16.024 -11.070 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.340 -16.333 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.888 -16.722 -10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.231 -18.448 -10.199 1.00 0.00 H new ATOM 1746 N GLN A 109 -3.654 -18.054 -12.598 1.00 0.00 N ATOM 1747 CA GLN A 109 -2.580 -18.906 -13.096 1.00 0.00 C ATOM 1748 C GLN A 109 -1.495 -19.085 -12.039 1.00 0.00 C ATOM 1749 O GLN A 109 -0.822 -18.128 -11.658 1.00 0.00 O ATOM 1750 CB GLN A 109 -1.976 -18.310 -14.368 1.00 0.00 C ATOM 1751 CG GLN A 109 -1.552 -19.354 -15.387 1.00 0.00 C ATOM 1752 CD GLN A 109 -1.189 -18.747 -16.728 1.00 0.00 C ATOM 1753 OE1 GLN A 109 -1.934 -17.934 -17.276 1.00 0.00 O ATOM 1754 NE2 GLN A 109 -0.040 -19.139 -17.265 1.00 0.00 N ATOM 0 H GLN A 109 -3.806 -17.205 -13.143 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.002 -19.884 -13.327 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.704 -17.641 -14.827 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.111 -17.704 -14.100 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.697 -19.908 -15.000 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.361 -20.072 -15.524 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.547 -19.815 -16.776 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.256 -18.764 -18.166 1.00 0.00 H new ATOM 1763 N ASP A 110 -1.330 -20.318 -11.570 1.00 0.00 N ATOM 1764 CA ASP A 110 -0.325 -20.622 -10.558 1.00 0.00 C ATOM 1765 C ASP A 110 0.249 -22.021 -10.761 1.00 0.00 C ATOM 1766 O ASP A 110 0.670 -22.673 -9.806 1.00 0.00 O ATOM 1767 CB ASP A 110 -0.930 -20.503 -9.158 1.00 0.00 C ATOM 1768 CG ASP A 110 0.029 -19.877 -8.165 1.00 0.00 C ATOM 1769 OD1 ASP A 110 1.137 -20.424 -7.984 1.00 0.00 O ATOM 1770 OD2 ASP A 110 -0.328 -18.840 -7.568 1.00 0.00 O ATOM 0 H ASP A 110 -1.879 -21.122 -11.874 1.00 0.00 H new ATOM 0 HA ASP A 110 0.486 -19.900 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.839 -19.904 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.219 -21.493 -8.805 1.00 0.00 H new ATOM 1775 N THR A 111 0.263 -22.476 -12.009 1.00 0.00 N ATOM 1776 CA THR A 111 0.785 -23.798 -12.335 1.00 0.00 C ATOM 1777 C THR A 111 2.273 -23.889 -12.010 1.00 0.00 C ATOM 1778 O THR A 111 3.074 -23.089 -12.494 1.00 0.00 O ATOM 1779 CB THR A 111 0.553 -24.111 -13.813 1.00 0.00 C ATOM 1780 OG1 THR A 111 0.601 -22.928 -14.590 1.00 0.00 O ATOM 1781 CG2 THR A 111 -0.776 -24.783 -14.082 1.00 0.00 C ATOM 0 H THR A 111 -0.081 -21.949 -12.812 1.00 0.00 H new ATOM 0 HA THR A 111 0.253 -24.532 -11.729 1.00 0.00 H new ATOM 0 HB THR A 111 1.352 -24.799 -14.091 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.452 -23.150 -15.533 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.876 -24.977 -15.150 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.824 -25.725 -13.536 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.586 -24.132 -13.754 1.00 0.00 H new ATOM 1789 N LYS A 112 2.636 -24.870 -11.190 1.00 0.00 N ATOM 1790 CA LYS A 112 4.025 -25.066 -10.804 1.00 0.00 C ATOM 1791 C LYS A 112 4.253 -26.483 -10.287 1.00 0.00 C ATOM 1792 O LYS A 112 3.662 -26.892 -9.287 1.00 0.00 O ATOM 1793 CB LYS A 112 4.431 -24.048 -9.737 1.00 0.00 C ATOM 1794 CG LYS A 112 5.927 -24.010 -9.471 1.00 0.00 C ATOM 1795 CD LYS A 112 6.601 -22.884 -10.238 1.00 0.00 C ATOM 1796 CE LYS A 112 8.099 -22.855 -9.983 1.00 0.00 C ATOM 1797 NZ LYS A 112 8.468 -21.844 -8.953 1.00 0.00 N ATOM 0 H LYS A 112 1.986 -25.541 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 112 4.644 -24.918 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.100 -23.057 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.911 -24.281 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.105 -23.881 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.373 -24.963 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.415 -23.007 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.163 -21.930 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.431 -23.841 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.621 -22.633 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.498 -21.856 -8.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.174 -20.899 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.990 -22.070 -8.058 1.00 0.00 H new ATOM 1811 N LEU A 113 5.113 -27.227 -10.974 1.00 0.00 N ATOM 1812 CA LEU A 113 5.420 -28.598 -10.584 1.00 0.00 C ATOM 1813 C LEU A 113 6.030 -28.641 -9.186 1.00 0.00 C ATOM 1814 O LEU A 113 6.123 -27.619 -8.507 1.00 0.00 O ATOM 1815 CB LEU A 113 6.378 -29.234 -11.594 1.00 0.00 C ATOM 1816 CG LEU A 113 5.704 -30.033 -12.710 1.00 0.00 C ATOM 1817 CD1 LEU A 113 4.832 -29.126 -13.563 1.00 0.00 C ATOM 1818 CD2 LEU A 113 6.748 -30.733 -13.568 1.00 0.00 C ATOM 0 H LEU A 113 5.610 -26.903 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 113 4.489 -29.165 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.982 -28.446 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.062 -29.892 -11.058 1.00 0.00 H new ATOM 0 HG LEU A 113 5.067 -30.792 -12.255 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.360 -29.712 -14.352 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.062 -28.670 -12.940 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.447 -28.345 -14.009 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.251 -31.297 -14.357 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.410 -29.990 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.332 -31.413 -12.948 1.00 0.00 H new ATOM 1830 N SER A 114 6.445 -29.831 -8.762 1.00 0.00 N ATOM 1831 CA SER A 114 7.047 -30.006 -7.449 1.00 0.00 C ATOM 1832 C SER A 114 7.861 -31.295 -7.391 1.00 0.00 C ATOM 1833 O SER A 114 7.654 -32.209 -8.189 1.00 0.00 O ATOM 1834 CB SER A 114 5.967 -30.019 -6.366 1.00 0.00 C ATOM 1835 OG SER A 114 6.417 -29.368 -5.190 1.00 0.00 O ATOM 0 H SER A 114 6.374 -30.688 -9.311 1.00 0.00 H new ATOM 0 HA SER A 114 7.719 -29.166 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.069 -29.526 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.693 -31.048 -6.134 1.00 0.00 H new ATOM 0 HG SER A 114 5.708 -29.388 -4.513 1.00 0.00 H new ATOM 1841 N LEU A 115 8.788 -31.361 -6.441 1.00 0.00 N ATOM 1842 CA LEU A 115 9.633 -32.528 -6.273 1.00 0.00 C ATOM 1843 C LEU A 115 8.798 -33.772 -5.985 1.00 0.00 C ATOM 1844 O LEU A 115 9.160 -34.880 -6.380 1.00 0.00 O ATOM 1845 CB LEU A 115 10.621 -32.282 -5.134 1.00 0.00 C ATOM 1846 CG LEU A 115 11.848 -31.442 -5.500 1.00 0.00 C ATOM 1847 CD1 LEU A 115 12.503 -31.968 -6.768 1.00 0.00 C ATOM 1848 CD2 LEU A 115 11.461 -29.981 -5.666 1.00 0.00 C ATOM 0 H LEU A 115 8.970 -30.612 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 115 10.180 -32.698 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.093 -31.788 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.961 -33.246 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 115 12.570 -31.519 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.372 -31.356 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.817 -33.000 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.790 -31.925 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.344 -29.398 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.719 -29.889 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.042 -29.607 -4.732 1.00 0.00 H new ATOM 1860 N GLU A 116 7.680 -33.580 -5.293 1.00 0.00 N ATOM 1861 CA GLU A 116 6.793 -34.686 -4.952 1.00 0.00 C ATOM 1862 C GLU A 116 5.537 -34.664 -5.817 1.00 0.00 C ATOM 1863 O GLU A 116 5.062 -35.754 -6.199 1.00 0.00 O ATOM 1864 CB GLU A 116 6.408 -34.622 -3.473 1.00 0.00 C ATOM 1865 CG GLU A 116 5.769 -33.303 -3.068 1.00 0.00 C ATOM 1866 CD GLU A 116 5.398 -33.262 -1.599 1.00 0.00 C ATOM 1867 OE1 GLU A 116 4.268 -33.671 -1.260 1.00 0.00 O ATOM 1868 OE2 GLU A 116 6.238 -32.820 -0.787 1.00 0.00 O ATOM 0 H GLU A 116 7.367 -32.669 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 116 7.327 -35.617 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.717 -35.435 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.299 -34.786 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.458 -32.487 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.875 -33.137 -3.669 1.00 0.00 H new TER 1875 GLU A 116