USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1058 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: B 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 150 MET CE :methyl 169:sc= 0 (180deg=-0.173) USER MOD Set 2.1: B 109 GLN : amide:sc= 0.166 X(o=0.17,f=0.45) USER MOD Set 2.2: B 110 THR OG1 : rot 180:sc=-0.000433 USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.447 K(o=0.7,f=-0.53) USER MOD Set 3.2: A 24 GLN : amide:sc= 1.15 K(o=0.7,f=-2) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.933 K(o=0.59,f=-11!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ -148:sc= 1.99 (180deg=-0.0416) USER MOD Set 4.3: B 132 SER OG : rot 180:sc= 0 USER MOD Set 4.4: B 141 MET CE :methyl -109:sc= -2.34 (180deg=-3.51!) USER MOD Set 5.1: A 12 GLN : amide:sc= -0.373 K(o=0.84,f=-0.71) USER MOD Set 5.2: A 16 SER OG : rot 167:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.2 (180deg=1.15) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 0.831 (180deg=0.762) USER MOD Single : A 7 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 9 HIS : no HD1:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : A 11 THR OG1 : rot 130:sc= 1.38 USER MOD Single : A 29 THR OG1 : rot -96:sc= 0.136 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -160:sc= -4.71! (180deg=-5.27!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.012 (180deg=-0.122) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 156:sc= -0.941 (180deg=-2.37!) USER MOD Single : A 55 TYR OH : rot 120:sc= -0.855 USER MOD Single : A 57 SER OG : rot -25:sc= 0.176 USER MOD Single : A 59 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 60 SER OG : rot -10:sc= 1.08 USER MOD Single : A 64 TYR OH : rot -30:sc= -0.957 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 66 HIS : no HE2:sc= 0.545 K(o=0.55,f=-2.4!) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -1.14 (180deg=-1.69!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.2) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -2.63! (180deg=-4.2!) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0.705 (180deg=0.537) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl -166:sc= -0.0568 (180deg=-0.371) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 105 HIS : no HD1:sc= 0.00178 X(o=0.0018,f=-0.49) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 116 THR OG1 : rot 76:sc= 1.29 USER MOD Single : B 117 SER OG : rot 89:sc= 1.27 USER MOD Single : B 119 SER OG : rot 25:sc= 0.488 USER MOD Single : B 121 SER OG : rot 75:sc= 1.16 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot -166:sc= 0.919 USER MOD Single : B 139 CYS SG : rot 86:sc= 1.33 USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot -80:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.276 2.498 14.687 1.00 0.00 N ATOM 2 CA GLY A 1 -13.674 3.628 15.524 1.00 0.00 C ATOM 3 C GLY A 1 -14.485 4.582 14.730 1.00 0.00 C ATOM 4 O GLY A 1 -14.088 4.939 13.630 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.999 1.699 15.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.074 2.215 14.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.471 2.775 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.248 3.273 16.380 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.790 4.129 15.919 1.00 0.00 H new ATOM 10 N VAL A 2 -15.621 5.006 15.279 1.00 0.00 N ATOM 11 CA VAL A 2 -16.574 5.889 14.599 1.00 0.00 C ATOM 12 C VAL A 2 -17.249 5.163 13.462 1.00 0.00 C ATOM 13 O VAL A 2 -16.605 4.699 12.504 1.00 0.00 O ATOM 14 CB VAL A 2 -15.956 7.220 14.113 1.00 0.00 C ATOM 15 CG1 VAL A 2 -16.982 8.070 13.376 1.00 0.00 C ATOM 16 CG2 VAL A 2 -15.366 7.983 15.281 1.00 0.00 C ATOM 0 H VAL A 2 -15.912 4.744 16.221 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.318 6.164 15.346 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.157 6.985 13.410 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.516 8.999 13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.352 7.523 12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.813 8.297 14.044 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.934 8.918 14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.149 8.199 16.007 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.589 7.382 15.753 1.00 0.00 H new ATOM 26 N ARG A 3 -18.527 5.100 13.542 1.00 0.00 N ATOM 27 CA ARG A 3 -19.274 4.318 12.641 1.00 0.00 C ATOM 28 C ARG A 3 -19.536 5.065 11.366 1.00 0.00 C ATOM 29 O ARG A 3 -20.228 6.085 11.339 1.00 0.00 O ATOM 30 CB ARG A 3 -20.551 3.803 13.281 1.00 0.00 C ATOM 31 CG ARG A 3 -20.821 2.354 12.965 1.00 0.00 C ATOM 32 CD ARG A 3 -19.702 1.485 13.532 1.00 0.00 C ATOM 33 NE ARG A 3 -19.875 0.072 13.209 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.882 -0.811 13.110 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.615 -0.416 13.258 1.00 0.00 N ATOM 36 NH2 ARG A 3 -19.149 -2.088 12.855 1.00 0.00 N ATOM 0 H ARG A 3 -19.083 5.594 14.240 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.679 3.442 12.381 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.486 3.928 14.362 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.392 4.407 12.940 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.779 2.052 13.389 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.891 2.214 11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.745 1.830 13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.666 1.605 14.615 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.825 -0.264 13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.405 0.564 13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.857 -1.094 13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.115 -2.393 12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.388 -2.763 12.779 1.00 0.00 H new ATOM 50 N LYS A 4 -18.914 4.587 10.340 1.00 0.00 N ATOM 51 CA LYS A 4 -19.047 5.139 9.039 1.00 0.00 C ATOM 52 C LYS A 4 -19.694 4.083 8.187 1.00 0.00 C ATOM 53 O LYS A 4 -19.075 3.066 7.872 1.00 0.00 O ATOM 54 CB LYS A 4 -17.668 5.511 8.493 1.00 0.00 C ATOM 55 CG LYS A 4 -16.791 6.182 9.517 1.00 0.00 C ATOM 56 CD LYS A 4 -15.416 6.488 8.982 1.00 0.00 C ATOM 57 CE LYS A 4 -14.525 7.018 10.081 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.241 5.987 11.120 1.00 0.00 N ATOM 0 H LYS A 4 -18.286 3.784 10.387 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.651 6.046 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.171 4.611 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.789 6.174 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.264 7.107 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.703 5.539 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.978 5.587 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.487 7.221 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.586 7.366 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.000 7.881 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.510 6.341 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.110 5.784 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.905 5.116 10.662 1.00 0.00 H new ATOM 72 N GLY A 5 -20.936 4.312 7.839 1.00 0.00 N ATOM 73 CA GLY A 5 -21.747 3.348 7.126 1.00 0.00 C ATOM 74 C GLY A 5 -21.285 3.071 5.715 1.00 0.00 C ATOM 75 O GLY A 5 -21.850 2.229 5.027 1.00 0.00 O ATOM 0 H GLY A 5 -21.422 5.185 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.753 2.412 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.776 3.708 7.095 1.00 0.00 H new ATOM 79 N TRP A 6 -20.277 3.772 5.271 1.00 0.00 N ATOM 80 CA TRP A 6 -19.725 3.533 3.955 1.00 0.00 C ATOM 81 C TRP A 6 -18.819 2.314 3.955 1.00 0.00 C ATOM 82 O TRP A 6 -18.440 1.820 2.882 1.00 0.00 O ATOM 83 CB TRP A 6 -18.979 4.768 3.403 1.00 0.00 C ATOM 84 CG TRP A 6 -17.804 5.230 4.235 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.804 6.241 5.138 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.458 4.707 4.235 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.562 6.397 5.670 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.723 5.466 5.152 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.808 3.680 3.554 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.384 5.235 5.407 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.474 3.453 3.814 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.779 4.225 4.728 1.00 0.00 C ATOM 0 H TRP A 6 -19.818 4.515 5.798 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.566 3.338 3.290 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.626 4.541 2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.687 5.591 3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.666 6.837 5.398 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.301 7.107 6.355 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.340 3.073 2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.838 5.835 6.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -13.961 2.657 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.733 4.021 4.906 1.00 0.00 H new ATOM 103 N HIS A 7 -18.480 1.822 5.150 1.00 0.00 N ATOM 104 CA HIS A 7 -17.582 0.672 5.295 1.00 0.00 C ATOM 105 C HIS A 7 -18.143 -0.565 4.580 1.00 0.00 C ATOM 106 O HIS A 7 -17.406 -1.404 4.098 1.00 0.00 O ATOM 107 CB HIS A 7 -17.283 0.361 6.802 1.00 0.00 C ATOM 108 CG HIS A 7 -18.410 -0.262 7.611 1.00 0.00 C ATOM 109 ND1 HIS A 7 -18.242 -1.348 8.449 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.714 0.085 7.721 1.00 0.00 C ATOM 111 CE1 HIS A 7 -19.417 -1.615 9.021 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.346 -0.773 8.612 1.00 0.00 N ATOM 0 H HIS A 7 -18.815 2.204 6.034 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.638 0.936 4.819 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.423 -0.307 6.847 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.989 1.291 7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.189 0.902 7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.585 -2.415 9.726 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.327 -0.755 8.892 1.00 0.00 H new ATOM 120 N GLU A 8 -19.449 -0.613 4.450 1.00 0.00 N ATOM 121 CA GLU A 8 -20.123 -1.751 3.874 1.00 0.00 C ATOM 122 C GLU A 8 -20.118 -1.727 2.347 1.00 0.00 C ATOM 123 O GLU A 8 -20.587 -2.662 1.693 1.00 0.00 O ATOM 124 CB GLU A 8 -21.527 -1.833 4.420 1.00 0.00 C ATOM 125 CG GLU A 8 -22.420 -0.692 4.057 1.00 0.00 C ATOM 126 CD GLU A 8 -23.749 -0.812 4.742 1.00 0.00 C ATOM 127 OE1 GLU A 8 -23.822 -0.540 5.954 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.737 -1.235 4.094 1.00 0.00 O ATOM 0 H GLU A 8 -20.074 0.138 4.742 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.573 -2.648 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -21.984 -2.757 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -21.473 -1.900 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -21.946 0.249 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.564 -0.667 2.977 1.00 0.00 H new ATOM 135 N HIS A 9 -19.594 -0.666 1.782 1.00 0.00 N ATOM 136 CA HIS A 9 -19.512 -0.544 0.337 1.00 0.00 C ATOM 137 C HIS A 9 -18.109 -0.775 -0.159 1.00 0.00 C ATOM 138 O HIS A 9 -17.832 -0.656 -1.349 1.00 0.00 O ATOM 139 CB HIS A 9 -20.022 0.801 -0.144 1.00 0.00 C ATOM 140 CG HIS A 9 -21.511 0.950 -0.113 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.324 0.784 -1.216 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.335 1.273 0.914 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.582 1.006 -0.837 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.647 1.309 0.454 1.00 0.00 N ATOM 0 H HIS A 9 -19.216 0.129 2.297 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.155 -1.319 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.579 1.584 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.675 0.963 -1.165 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.022 1.471 1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.437 0.947 -1.494 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.484 1.523 0.995 1.00 0.00 H new ATOM 152 N VAL A 10 -17.224 -1.095 0.743 1.00 0.00 N ATOM 153 CA VAL A 10 -15.862 -1.376 0.375 1.00 0.00 C ATOM 154 C VAL A 10 -15.668 -2.834 0.594 1.00 0.00 C ATOM 155 O VAL A 10 -15.681 -3.292 1.743 1.00 0.00 O ATOM 156 CB VAL A 10 -14.843 -0.650 1.266 1.00 0.00 C ATOM 157 CG1 VAL A 10 -13.537 -0.356 0.592 1.00 0.00 C ATOM 158 CG2 VAL A 10 -15.420 0.487 2.026 1.00 0.00 C ATOM 0 H VAL A 10 -17.421 -1.168 1.741 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.702 -1.049 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.575 -1.376 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.875 0.157 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.074 -1.290 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.711 0.279 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.642 0.951 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.824 1.222 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.218 0.124 2.674 1.00 0.00 H new ATOM 168 N THR A 11 -15.523 -3.566 -0.457 1.00 0.00 N ATOM 169 CA THR A 11 -15.351 -4.963 -0.351 1.00 0.00 C ATOM 170 C THR A 11 -14.050 -5.327 0.243 1.00 0.00 C ATOM 171 O THR A 11 -13.072 -4.569 0.125 1.00 0.00 O ATOM 172 CB THR A 11 -15.488 -5.619 -1.695 1.00 0.00 C ATOM 173 OG1 THR A 11 -15.224 -4.654 -2.742 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.849 -6.193 -1.800 1.00 0.00 C ATOM 0 H THR A 11 -15.521 -3.207 -1.412 1.00 0.00 H new ATOM 0 HA THR A 11 -16.135 -5.322 0.315 1.00 0.00 H new ATOM 0 HB THR A 11 -14.762 -6.424 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.577 -5.028 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.967 -6.674 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.995 -6.929 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.588 -5.398 -1.697 1.00 0.00 H new ATOM 182 N GLN A 12 -14.037 -6.474 0.898 1.00 0.00 N ATOM 183 CA GLN A 12 -12.853 -7.029 1.468 1.00 0.00 C ATOM 184 C GLN A 12 -11.804 -7.146 0.391 1.00 0.00 C ATOM 185 O GLN A 12 -10.673 -6.784 0.590 1.00 0.00 O ATOM 186 CB GLN A 12 -13.165 -8.385 2.138 1.00 0.00 C ATOM 187 CG GLN A 12 -12.014 -8.973 2.952 1.00 0.00 C ATOM 188 CD GLN A 12 -10.935 -9.673 2.139 1.00 0.00 C ATOM 189 OE1 GLN A 12 -9.767 -9.643 2.504 1.00 0.00 O ATOM 190 NE2 GLN A 12 -11.311 -10.347 1.082 1.00 0.00 N ATOM 0 H GLN A 12 -14.870 -7.045 1.043 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.466 -6.377 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.029 -8.262 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.449 -9.100 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.550 -8.171 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.424 -9.684 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.292 -10.353 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.623 -10.867 0.537 1.00 0.00 H new ATOM 199 N ASP A 13 -12.217 -7.570 -0.772 1.00 0.00 N ATOM 200 CA ASP A 13 -11.306 -7.711 -1.879 1.00 0.00 C ATOM 201 C ASP A 13 -10.780 -6.376 -2.373 1.00 0.00 C ATOM 202 O ASP A 13 -9.649 -6.315 -2.798 1.00 0.00 O ATOM 203 CB ASP A 13 -11.903 -8.534 -3.014 1.00 0.00 C ATOM 204 CG ASP A 13 -12.117 -9.968 -2.617 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.188 -10.790 -2.778 1.00 0.00 O ATOM 206 OD2 ASP A 13 -13.203 -10.302 -2.114 1.00 0.00 O ATOM 0 H ASP A 13 -13.182 -7.825 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.448 -8.265 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.854 -8.096 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.241 -8.492 -3.879 1.00 0.00 H new ATOM 211 N LEU A 14 -11.569 -5.296 -2.255 1.00 0.00 N ATOM 212 CA LEU A 14 -11.110 -3.969 -2.706 1.00 0.00 C ATOM 213 C LEU A 14 -10.088 -3.447 -1.723 1.00 0.00 C ATOM 214 O LEU A 14 -8.961 -3.154 -2.101 1.00 0.00 O ATOM 215 CB LEU A 14 -12.320 -2.985 -2.808 1.00 0.00 C ATOM 216 CG LEU A 14 -12.097 -1.527 -3.342 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.412 -0.626 -2.331 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.312 -1.522 -4.624 1.00 0.00 C ATOM 0 H LEU A 14 -12.509 -5.311 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.657 -4.052 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.068 -3.454 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.757 -2.903 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.094 -1.128 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.285 0.369 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.022 -0.560 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.436 -1.039 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.177 -0.495 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.337 -1.980 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.852 -2.088 -5.383 1.00 0.00 H new ATOM 230 N ARG A 15 -10.464 -3.396 -0.447 1.00 0.00 N ATOM 231 CA ARG A 15 -9.541 -2.971 0.596 1.00 0.00 C ATOM 232 C ARG A 15 -8.260 -3.785 0.606 1.00 0.00 C ATOM 233 O ARG A 15 -7.169 -3.237 0.568 1.00 0.00 O ATOM 234 CB ARG A 15 -10.219 -2.962 1.961 1.00 0.00 C ATOM 235 CG ARG A 15 -11.012 -4.184 2.286 1.00 0.00 C ATOM 236 CD ARG A 15 -12.141 -3.869 3.236 1.00 0.00 C ATOM 237 NE ARG A 15 -11.666 -3.270 4.501 1.00 0.00 N ATOM 238 CZ ARG A 15 -12.214 -3.485 5.711 1.00 0.00 C ATOM 239 NH1 ARG A 15 -13.174 -4.385 5.861 1.00 0.00 N ATOM 240 NH2 ARG A 15 -11.776 -2.816 6.768 1.00 0.00 N ATOM 0 H ARG A 15 -11.396 -3.643 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.249 -1.947 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.455 -2.830 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.878 -2.096 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.415 -4.613 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.360 -4.936 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.838 -3.184 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.693 -4.783 3.455 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.861 -2.646 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.502 -4.920 5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.585 -4.543 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.022 -2.137 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.193 -2.980 7.684 1.00 0.00 H new ATOM 254 N SER A 16 -8.394 -5.081 0.561 1.00 0.00 N ATOM 255 CA SER A 16 -7.266 -5.952 0.602 1.00 0.00 C ATOM 256 C SER A 16 -6.456 -5.939 -0.715 1.00 0.00 C ATOM 257 O SER A 16 -5.276 -6.287 -0.722 1.00 0.00 O ATOM 258 CB SER A 16 -7.725 -7.322 1.000 1.00 0.00 C ATOM 259 OG SER A 16 -8.399 -7.251 2.254 1.00 0.00 O ATOM 0 H SER A 16 -9.293 -5.559 0.495 1.00 0.00 H new ATOM 0 HA SER A 16 -6.564 -5.591 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.391 -7.729 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.872 -7.997 1.071 1.00 0.00 H new ATOM 0 HG SER A 16 -8.881 -8.089 2.414 1.00 0.00 H new ATOM 265 N HIS A 17 -7.087 -5.516 -1.813 1.00 0.00 N ATOM 266 CA HIS A 17 -6.397 -5.340 -3.104 1.00 0.00 C ATOM 267 C HIS A 17 -5.429 -4.177 -2.951 1.00 0.00 C ATOM 268 O HIS A 17 -4.275 -4.223 -3.404 1.00 0.00 O ATOM 269 CB HIS A 17 -7.445 -5.016 -4.208 1.00 0.00 C ATOM 270 CG HIS A 17 -6.950 -4.878 -5.620 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.249 -5.765 -6.636 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.243 -3.890 -6.195 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.728 -5.297 -7.760 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.100 -4.156 -7.551 1.00 0.00 N ATOM 0 H HIS A 17 -8.081 -5.286 -1.839 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.861 -6.246 -3.387 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.202 -5.800 -4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.944 -4.086 -3.935 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.779 -6.631 -6.537 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.848 -3.025 -5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.807 -5.785 -8.720 1.00 0.00 H new ATOM 282 N LEU A 18 -5.915 -3.155 -2.300 1.00 0.00 N ATOM 283 CA LEU A 18 -5.159 -1.960 -2.013 1.00 0.00 C ATOM 284 C LEU A 18 -4.077 -2.268 -0.977 1.00 0.00 C ATOM 285 O LEU A 18 -2.964 -1.806 -1.103 1.00 0.00 O ATOM 286 CB LEU A 18 -6.108 -0.827 -1.570 1.00 0.00 C ATOM 287 CG LEU A 18 -6.915 -0.070 -2.685 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.490 -0.990 -3.748 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.062 0.652 -2.054 1.00 0.00 C ATOM 0 H LEU A 18 -6.871 -3.127 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.652 -1.613 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.825 -1.247 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.518 -0.090 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.209 0.606 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.034 -0.399 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.680 -1.528 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.169 -1.704 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.627 1.180 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.713 -0.065 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.684 1.369 -1.325 1.00 0.00 H new ATOM 301 N VAL A 19 -4.423 -3.084 0.022 1.00 0.00 N ATOM 302 CA VAL A 19 -3.460 -3.610 1.024 1.00 0.00 C ATOM 303 C VAL A 19 -2.302 -4.340 0.309 1.00 0.00 C ATOM 304 O VAL A 19 -1.125 -4.108 0.590 1.00 0.00 O ATOM 305 CB VAL A 19 -4.164 -4.648 1.961 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.190 -5.355 2.815 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.183 -4.014 2.843 1.00 0.00 C ATOM 0 H VAL A 19 -5.379 -3.406 0.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.085 -2.767 1.605 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.658 -5.356 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.714 -6.067 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.475 -5.887 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.660 -4.633 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.643 -4.775 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.704 -3.263 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.949 -3.539 2.231 1.00 0.00 H new ATOM 317 N HIS A 20 -2.675 -5.225 -0.592 1.00 0.00 N ATOM 318 CA HIS A 20 -1.753 -6.001 -1.410 1.00 0.00 C ATOM 319 C HIS A 20 -0.769 -5.068 -2.125 1.00 0.00 C ATOM 320 O HIS A 20 0.450 -5.252 -2.072 1.00 0.00 O ATOM 321 CB HIS A 20 -2.592 -6.785 -2.423 1.00 0.00 C ATOM 322 CG HIS A 20 -1.846 -7.555 -3.449 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.345 -6.996 -4.599 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.582 -8.869 -3.523 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.821 -7.950 -5.331 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.932 -9.129 -4.729 1.00 0.00 N ATOM 0 H HIS A 20 -3.655 -5.434 -0.784 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.168 -6.685 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.230 -7.478 -1.874 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.251 -6.084 -2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.832 -9.604 -2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.360 -7.797 -6.296 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.610 -10.033 -5.075 1.00 0.00 H new ATOM 334 N LYS A 21 -1.316 -4.067 -2.770 1.00 0.00 N ATOM 335 CA LYS A 21 -0.530 -3.088 -3.476 1.00 0.00 C ATOM 336 C LYS A 21 0.303 -2.246 -2.538 1.00 0.00 C ATOM 337 O LYS A 21 1.442 -1.908 -2.866 1.00 0.00 O ATOM 338 CB LYS A 21 -1.412 -2.245 -4.356 1.00 0.00 C ATOM 339 CG LYS A 21 -1.712 -2.902 -5.675 1.00 0.00 C ATOM 340 CD LYS A 21 -2.804 -2.184 -6.400 1.00 0.00 C ATOM 341 CE LYS A 21 -2.878 -2.600 -7.863 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.331 -3.989 -8.036 1.00 0.00 N ATOM 0 H LYS A 21 -2.322 -3.909 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 21 0.175 -3.620 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.348 -2.039 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.929 -1.284 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.812 -2.917 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.002 -3.940 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.758 -2.389 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.638 -1.109 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.557 -1.932 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.895 -2.483 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.882 -4.398 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.067 -4.547 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.364 -4.005 -8.152 1.00 0.00 H new ATOM 356 N LEU A 22 -0.268 -1.910 -1.384 1.00 0.00 N ATOM 357 CA LEU A 22 0.430 -1.196 -0.324 1.00 0.00 C ATOM 358 C LEU A 22 1.721 -1.886 -0.020 1.00 0.00 C ATOM 359 O LEU A 22 2.769 -1.252 -0.042 1.00 0.00 O ATOM 360 CB LEU A 22 -0.443 -1.112 0.929 1.00 0.00 C ATOM 361 CG LEU A 22 -1.180 0.200 1.164 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.329 -0.007 2.132 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.221 1.182 1.777 1.00 0.00 C ATOM 0 H LEU A 22 -1.238 -2.129 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 22 0.641 -0.180 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.181 -1.913 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.187 -1.308 1.796 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.568 0.567 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.846 0.939 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.026 -0.737 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.942 -0.372 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.732 2.129 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.148 0.788 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.618 1.343 1.100 1.00 0.00 H new ATOM 375 N VAL A 23 1.640 -3.203 0.204 1.00 0.00 N ATOM 376 CA VAL A 23 2.817 -4.029 0.410 1.00 0.00 C ATOM 377 C VAL A 23 3.765 -3.872 -0.762 1.00 0.00 C ATOM 378 O VAL A 23 4.869 -3.532 -0.564 1.00 0.00 O ATOM 379 CB VAL A 23 2.477 -5.544 0.560 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.756 -6.376 0.546 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.734 -5.793 1.843 1.00 0.00 C ATOM 0 H VAL A 23 0.759 -3.715 0.246 1.00 0.00 H new ATOM 0 HA VAL A 23 3.274 -3.690 1.340 1.00 0.00 H new ATOM 0 HB VAL A 23 1.846 -5.836 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.505 -7.431 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.281 -6.220 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.397 -6.071 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.505 -6.855 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.351 -5.484 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.806 -5.221 1.843 1.00 0.00 H new ATOM 391 N GLN A 24 3.274 -4.064 -1.982 1.00 0.00 N ATOM 392 CA GLN A 24 4.130 -4.024 -3.190 1.00 0.00 C ATOM 393 C GLN A 24 4.959 -2.727 -3.322 1.00 0.00 C ATOM 394 O GLN A 24 6.048 -2.745 -3.899 1.00 0.00 O ATOM 395 CB GLN A 24 3.318 -4.236 -4.459 1.00 0.00 C ATOM 396 CG GLN A 24 2.587 -5.558 -4.538 1.00 0.00 C ATOM 397 CD GLN A 24 1.922 -5.736 -5.878 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.760 -5.355 -6.080 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.651 -6.287 -6.809 1.00 0.00 N ATOM 0 H GLN A 24 2.289 -4.250 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 24 4.833 -4.847 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.590 -3.430 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.985 -4.155 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.288 -6.375 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.838 -5.610 -3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.603 -6.587 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.269 -6.418 -7.745 1.00 0.00 H new ATOM 408 N ALA A 25 4.413 -1.615 -2.867 1.00 0.00 N ATOM 409 CA ALA A 25 5.134 -0.354 -2.859 1.00 0.00 C ATOM 410 C ALA A 25 6.062 -0.242 -1.643 1.00 0.00 C ATOM 411 O ALA A 25 7.207 0.122 -1.755 1.00 0.00 O ATOM 412 CB ALA A 25 4.150 0.764 -2.813 1.00 0.00 C ATOM 0 H ALA A 25 3.465 -1.559 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 25 5.743 -0.305 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.681 1.716 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.503 0.715 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.545 0.680 -1.910 1.00 0.00 H new ATOM 418 N ILE A 26 5.556 -0.577 -0.478 1.00 0.00 N ATOM 419 CA ILE A 26 6.320 -0.382 0.753 1.00 0.00 C ATOM 420 C ILE A 26 7.375 -1.500 0.929 1.00 0.00 C ATOM 421 O ILE A 26 8.406 -1.329 1.579 1.00 0.00 O ATOM 422 CB ILE A 26 5.343 -0.249 1.978 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.029 0.325 3.243 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.659 -1.571 2.281 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.682 -0.697 4.145 1.00 0.00 C ATOM 0 H ILE A 26 4.629 -0.982 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 26 6.879 0.552 0.692 1.00 0.00 H new ATOM 0 HB ILE A 26 4.583 0.475 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.785 1.045 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.286 0.874 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.990 -1.448 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.085 -1.891 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.411 -2.324 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.132 -0.193 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.931 -1.405 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.454 -1.231 3.591 1.00 0.00 H new ATOM 437 N PHE A 27 7.111 -2.589 0.312 1.00 0.00 N ATOM 438 CA PHE A 27 7.944 -3.740 0.295 1.00 0.00 C ATOM 439 C PHE A 27 8.002 -4.242 -1.142 1.00 0.00 C ATOM 440 O PHE A 27 7.078 -4.933 -1.593 1.00 0.00 O ATOM 441 CB PHE A 27 7.354 -4.837 1.197 1.00 0.00 C ATOM 442 CG PHE A 27 7.369 -4.538 2.673 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.562 -4.460 3.367 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.185 -4.360 3.369 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.574 -4.209 4.727 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.192 -4.105 4.729 1.00 0.00 C ATOM 447 CZ PHE A 27 7.388 -4.029 5.407 1.00 0.00 C ATOM 0 H PHE A 27 6.256 -2.713 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 27 8.939 -3.491 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.324 -5.020 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.906 -5.761 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.495 -4.597 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.244 -4.421 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.513 -4.154 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.261 -3.966 5.258 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.397 -3.829 6.468 1.00 0.00 H new ATOM 457 N PRO A 28 9.033 -3.847 -1.908 1.00 0.00 N ATOM 458 CA PRO A 28 9.161 -4.242 -3.306 1.00 0.00 C ATOM 459 C PRO A 28 9.255 -5.762 -3.479 1.00 0.00 C ATOM 460 O PRO A 28 10.322 -6.367 -3.328 1.00 0.00 O ATOM 461 CB PRO A 28 10.438 -3.542 -3.792 1.00 0.00 C ATOM 462 CG PRO A 28 11.177 -3.177 -2.550 1.00 0.00 C ATOM 463 CD PRO A 28 10.143 -2.980 -1.479 1.00 0.00 C ATOM 0 HA PRO A 28 8.283 -3.953 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.032 -4.201 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.202 -2.658 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.879 -3.963 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.759 -2.268 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.521 -3.268 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.833 -1.937 -1.407 1.00 0.00 H new ATOM 471 N THR A 29 8.121 -6.371 -3.741 1.00 0.00 N ATOM 472 CA THR A 29 8.051 -7.785 -3.896 1.00 0.00 C ATOM 473 C THR A 29 8.631 -8.197 -5.267 1.00 0.00 C ATOM 474 O THR A 29 8.225 -7.678 -6.315 1.00 0.00 O ATOM 475 CB THR A 29 6.593 -8.314 -3.684 1.00 0.00 C ATOM 476 OG1 THR A 29 6.596 -9.739 -3.553 1.00 0.00 O ATOM 477 CG2 THR A 29 5.665 -7.916 -4.832 1.00 0.00 C ATOM 0 H THR A 29 7.228 -5.890 -3.850 1.00 0.00 H new ATOM 0 HA THR A 29 8.660 -8.252 -3.122 1.00 0.00 H new ATOM 0 HB THR A 29 6.217 -7.856 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.399 -10.148 -4.422 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.664 -8.304 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.624 -6.829 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.044 -8.330 -5.766 1.00 0.00 H new ATOM 485 N PRO A 30 9.615 -9.091 -5.273 1.00 0.00 N ATOM 486 CA PRO A 30 10.271 -9.530 -6.510 1.00 0.00 C ATOM 487 C PRO A 30 9.361 -10.438 -7.344 1.00 0.00 C ATOM 488 O PRO A 30 9.417 -10.456 -8.588 1.00 0.00 O ATOM 489 CB PRO A 30 11.482 -10.314 -5.993 1.00 0.00 C ATOM 490 CG PRO A 30 11.065 -10.798 -4.644 1.00 0.00 C ATOM 491 CD PRO A 30 10.188 -9.731 -4.075 1.00 0.00 C ATOM 0 HA PRO A 30 10.530 -8.699 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.729 -11.145 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.368 -9.682 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.530 -11.745 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.932 -10.971 -4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.413 -10.147 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.756 -9.022 -3.472 1.00 0.00 H new ATOM 499 N ASP A 31 8.499 -11.145 -6.657 1.00 0.00 N ATOM 500 CA ASP A 31 7.617 -12.106 -7.257 1.00 0.00 C ATOM 501 C ASP A 31 6.307 -12.009 -6.562 1.00 0.00 C ATOM 502 O ASP A 31 6.273 -11.648 -5.385 1.00 0.00 O ATOM 503 CB ASP A 31 8.131 -13.545 -7.050 1.00 0.00 C ATOM 504 CG ASP A 31 9.443 -13.863 -7.721 1.00 0.00 C ATOM 505 OD1 ASP A 31 9.440 -14.226 -8.898 1.00 0.00 O ATOM 506 OD2 ASP A 31 10.506 -13.794 -7.057 1.00 0.00 O ATOM 0 H ASP A 31 8.391 -11.065 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 31 7.548 -11.898 -8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.236 -13.725 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.376 -14.240 -7.418 1.00 0.00 H new ATOM 511 N PRO A 32 5.203 -12.328 -7.226 1.00 0.00 N ATOM 512 CA PRO A 32 3.907 -12.356 -6.576 1.00 0.00 C ATOM 513 C PRO A 32 3.780 -13.550 -5.619 1.00 0.00 C ATOM 514 O PRO A 32 2.817 -13.668 -4.860 1.00 0.00 O ATOM 515 CB PRO A 32 2.910 -12.457 -7.721 1.00 0.00 C ATOM 516 CG PRO A 32 3.676 -13.047 -8.851 1.00 0.00 C ATOM 517 CD PRO A 32 5.105 -12.619 -8.671 1.00 0.00 C ATOM 0 HA PRO A 32 3.740 -11.474 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.061 -13.085 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.511 -11.477 -7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.594 -14.134 -8.849 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.285 -12.700 -9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.799 -13.405 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.339 -11.741 -9.273 1.00 0.00 H new ATOM 525 N ALA A 33 4.768 -14.423 -5.647 1.00 0.00 N ATOM 526 CA ALA A 33 4.795 -15.556 -4.761 1.00 0.00 C ATOM 527 C ALA A 33 5.469 -15.193 -3.443 1.00 0.00 C ATOM 528 O ALA A 33 5.348 -15.896 -2.455 1.00 0.00 O ATOM 529 CB ALA A 33 5.457 -16.752 -5.404 1.00 0.00 C ATOM 0 H ALA A 33 5.565 -14.363 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 33 3.763 -15.836 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.458 -17.587 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.908 -17.032 -6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.484 -16.500 -5.670 1.00 0.00 H new ATOM 535 N ALA A 34 6.133 -14.051 -3.414 1.00 0.00 N ATOM 536 CA ALA A 34 6.724 -13.565 -2.175 1.00 0.00 C ATOM 537 C ALA A 34 5.625 -12.944 -1.319 1.00 0.00 C ATOM 538 O ALA A 34 5.822 -12.586 -0.163 1.00 0.00 O ATOM 539 CB ALA A 34 7.839 -12.571 -2.458 1.00 0.00 C ATOM 0 H ALA A 34 6.277 -13.447 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 34 7.173 -14.396 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.264 -12.223 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.616 -13.055 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.438 -11.722 -3.011 1.00 0.00 H new ATOM 545 N LEU A 35 4.452 -12.865 -1.912 1.00 0.00 N ATOM 546 CA LEU A 35 3.287 -12.300 -1.293 1.00 0.00 C ATOM 547 C LEU A 35 2.477 -13.377 -0.579 1.00 0.00 C ATOM 548 O LEU A 35 1.371 -13.133 -0.120 1.00 0.00 O ATOM 549 CB LEU A 35 2.438 -11.642 -2.348 1.00 0.00 C ATOM 550 CG LEU A 35 3.148 -10.598 -3.178 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.342 -10.287 -4.399 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.372 -9.351 -2.359 1.00 0.00 C ATOM 0 H LEU A 35 4.286 -13.202 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 35 3.602 -11.563 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.051 -12.413 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.579 -11.178 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 35 4.118 -10.985 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.859 -9.534 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.215 -11.193 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.364 -9.907 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.884 -8.604 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.412 -8.954 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.982 -9.592 -1.489 1.00 0.00 H new ATOM 564 N LYS A 36 3.017 -14.568 -0.527 1.00 0.00 N ATOM 565 CA LYS A 36 2.397 -15.676 0.182 1.00 0.00 C ATOM 566 C LYS A 36 3.464 -16.352 1.034 1.00 0.00 C ATOM 567 O LYS A 36 3.334 -17.502 1.459 1.00 0.00 O ATOM 568 CB LYS A 36 1.748 -16.646 -0.818 1.00 0.00 C ATOM 569 CG LYS A 36 2.709 -17.228 -1.836 1.00 0.00 C ATOM 570 CD LYS A 36 2.001 -18.096 -2.869 1.00 0.00 C ATOM 571 CE LYS A 36 1.110 -17.266 -3.784 1.00 0.00 C ATOM 572 NZ LYS A 36 0.292 -18.100 -4.689 1.00 0.00 N ATOM 0 H LYS A 36 3.902 -14.805 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 36 1.601 -15.322 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.284 -17.463 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.950 -16.125 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.232 -16.417 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.464 -17.822 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.741 -18.628 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.400 -18.850 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.453 -16.642 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.730 -16.594 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.296 -17.487 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.916 -18.677 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.321 -18.724 -4.127 1.00 0.00 H new ATOM 586 N ASP A 37 4.492 -15.580 1.303 1.00 0.00 N ATOM 587 CA ASP A 37 5.665 -15.998 2.066 1.00 0.00 C ATOM 588 C ASP A 37 5.363 -15.819 3.555 1.00 0.00 C ATOM 589 O ASP A 37 4.369 -15.191 3.911 1.00 0.00 O ATOM 590 CB ASP A 37 6.797 -15.056 1.696 1.00 0.00 C ATOM 591 CG ASP A 37 8.161 -15.479 2.128 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.535 -15.152 3.246 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.896 -16.098 1.331 1.00 0.00 O ATOM 0 H ASP A 37 4.545 -14.611 0.990 1.00 0.00 H new ATOM 0 HA ASP A 37 5.924 -17.036 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.802 -14.932 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.587 -14.078 2.128 1.00 0.00 H new ATOM 598 N ARG A 38 6.217 -16.321 4.412 1.00 0.00 N ATOM 599 CA ARG A 38 6.036 -16.182 5.845 1.00 0.00 C ATOM 600 C ARG A 38 6.293 -14.741 6.281 1.00 0.00 C ATOM 601 O ARG A 38 5.775 -14.262 7.300 1.00 0.00 O ATOM 602 CB ARG A 38 6.914 -17.175 6.612 1.00 0.00 C ATOM 603 CG ARG A 38 8.363 -16.755 6.927 1.00 0.00 C ATOM 604 CD ARG A 38 9.212 -16.633 5.686 1.00 0.00 C ATOM 605 NE ARG A 38 10.594 -16.216 5.961 1.00 0.00 N ATOM 606 CZ ARG A 38 11.494 -15.951 5.003 1.00 0.00 C ATOM 607 NH1 ARG A 38 11.098 -15.778 3.750 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.767 -15.777 5.313 1.00 0.00 N ATOM 0 H ARG A 38 7.055 -16.836 4.143 1.00 0.00 H new ATOM 0 HA ARG A 38 5.000 -16.420 6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.418 -17.402 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.950 -18.102 6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.355 -15.800 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.812 -17.486 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.226 -17.593 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.751 -15.913 5.009 1.00 0.00 H new ATOM 0 HE ARG A 38 10.885 -16.123 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.108 -15.846 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.783 -15.576 3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.069 -15.844 6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.447 -15.576 4.580 1.00 0.00 H new ATOM 622 N ARG A 39 7.086 -14.051 5.478 1.00 0.00 N ATOM 623 CA ARG A 39 7.424 -12.667 5.700 1.00 0.00 C ATOM 624 C ARG A 39 6.226 -11.794 5.330 1.00 0.00 C ATOM 625 O ARG A 39 6.077 -10.662 5.815 1.00 0.00 O ATOM 626 CB ARG A 39 8.641 -12.323 4.840 1.00 0.00 C ATOM 627 CG ARG A 39 9.122 -10.887 4.922 1.00 0.00 C ATOM 628 CD ARG A 39 10.338 -10.675 4.035 1.00 0.00 C ATOM 629 NE ARG A 39 10.063 -10.987 2.618 1.00 0.00 N ATOM 630 CZ ARG A 39 10.717 -11.924 1.896 1.00 0.00 C ATOM 631 NH1 ARG A 39 11.700 -12.630 2.450 1.00 0.00 N ATOM 632 NH2 ARG A 39 10.389 -12.142 0.624 1.00 0.00 N ATOM 0 H ARG A 39 7.516 -14.448 4.643 1.00 0.00 H new ATOM 0 HA ARG A 39 7.667 -12.488 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.463 -12.979 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.403 -12.548 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.322 -10.212 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.371 -10.640 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.669 -9.640 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.157 -11.301 4.390 1.00 0.00 H new ATOM 0 HE ARG A 39 9.327 -10.458 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.962 -12.465 3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.192 -13.336 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.641 -11.601 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.886 -12.850 0.083 1.00 0.00 H new ATOM 646 N MET A 40 5.349 -12.359 4.509 1.00 0.00 N ATOM 647 CA MET A 40 4.169 -11.678 4.041 1.00 0.00 C ATOM 648 C MET A 40 3.257 -11.277 5.163 1.00 0.00 C ATOM 649 O MET A 40 2.711 -10.202 5.106 1.00 0.00 O ATOM 650 CB MET A 40 3.447 -12.466 2.921 1.00 0.00 C ATOM 651 CG MET A 40 1.948 -12.166 2.693 1.00 0.00 C ATOM 652 SD MET A 40 1.499 -10.414 2.439 1.00 0.00 S ATOM 653 CE MET A 40 2.574 -9.886 1.133 1.00 0.00 C ATOM 0 H MET A 40 5.446 -13.310 4.152 1.00 0.00 H new ATOM 0 HA MET A 40 4.502 -10.745 3.585 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.974 -12.280 1.985 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.548 -13.529 3.138 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.615 -12.733 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.390 -12.540 3.551 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.647 -8.798 1.139 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.564 -10.317 1.280 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.173 -10.217 0.175 1.00 0.00 H new ATOM 663 N GLU A 41 3.163 -12.071 6.241 1.00 0.00 N ATOM 664 CA GLU A 41 2.246 -11.666 7.308 1.00 0.00 C ATOM 665 C GLU A 41 2.674 -10.337 7.909 1.00 0.00 C ATOM 666 O GLU A 41 1.849 -9.560 8.294 1.00 0.00 O ATOM 667 CB GLU A 41 1.991 -12.751 8.391 1.00 0.00 C ATOM 668 CG GLU A 41 3.080 -13.011 9.435 1.00 0.00 C ATOM 669 CD GLU A 41 3.266 -11.923 10.462 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.304 -11.610 11.198 1.00 0.00 O ATOM 671 OE2 GLU A 41 4.383 -11.386 10.555 1.00 0.00 O ATOM 0 H GLU A 41 3.675 -12.940 6.391 1.00 0.00 H new ATOM 0 HA GLU A 41 1.274 -11.535 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.079 -12.480 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.793 -13.692 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.847 -13.941 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.027 -13.164 8.917 1.00 0.00 H new ATOM 678 N ASN A 42 3.980 -10.085 7.914 1.00 0.00 N ATOM 679 CA ASN A 42 4.545 -8.844 8.441 1.00 0.00 C ATOM 680 C ASN A 42 4.283 -7.716 7.476 1.00 0.00 C ATOM 681 O ASN A 42 3.829 -6.630 7.861 1.00 0.00 O ATOM 682 CB ASN A 42 6.064 -8.996 8.668 1.00 0.00 C ATOM 683 CG ASN A 42 6.762 -7.676 8.977 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.298 -7.029 7.946 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.850 -7.263 10.130 1.00 0.00 N flip ATOM 0 H ASN A 42 4.678 -10.735 7.553 1.00 0.00 H new ATOM 0 HA ASN A 42 4.070 -8.621 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.234 -9.690 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.515 -9.438 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.425 -7.789 10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.348 -6.394 10.324 1.00 0.00 H new ATOM 692 N LEU A 43 4.549 -8.000 6.214 1.00 0.00 N ATOM 693 CA LEU A 43 4.378 -7.033 5.146 1.00 0.00 C ATOM 694 C LEU A 43 2.919 -6.585 5.090 1.00 0.00 C ATOM 695 O LEU A 43 2.608 -5.385 5.110 1.00 0.00 O ATOM 696 CB LEU A 43 4.780 -7.660 3.803 1.00 0.00 C ATOM 697 CG LEU A 43 6.107 -8.449 3.751 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.389 -8.948 2.344 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.269 -7.628 4.260 1.00 0.00 C ATOM 0 H LEU A 43 4.890 -8.909 5.901 1.00 0.00 H new ATOM 0 HA LEU A 43 5.014 -6.169 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.978 -8.330 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.834 -6.862 3.062 1.00 0.00 H new ATOM 0 HG LEU A 43 5.994 -9.310 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.329 -9.500 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.580 -9.604 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.461 -8.099 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.183 -8.219 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.379 -6.734 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.084 -7.338 5.294 1.00 0.00 H new ATOM 711 N VAL A 44 2.028 -7.557 5.082 1.00 0.00 N ATOM 712 CA VAL A 44 0.622 -7.302 4.995 1.00 0.00 C ATOM 713 C VAL A 44 0.095 -6.746 6.315 1.00 0.00 C ATOM 714 O VAL A 44 -0.869 -6.026 6.321 1.00 0.00 O ATOM 715 CB VAL A 44 -0.184 -8.554 4.546 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.425 -9.554 5.663 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.456 -8.175 3.830 1.00 0.00 C ATOM 0 H VAL A 44 2.270 -8.546 5.136 1.00 0.00 H new ATOM 0 HA VAL A 44 0.478 -6.549 4.220 1.00 0.00 H new ATOM 0 HB VAL A 44 0.449 -9.074 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.993 -10.401 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.532 -9.905 6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.987 -9.075 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.989 -9.078 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.086 -7.584 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.214 -7.589 2.944 1.00 0.00 H new ATOM 727 N ALA A 45 0.748 -7.093 7.430 1.00 0.00 N ATOM 728 CA ALA A 45 0.364 -6.578 8.745 1.00 0.00 C ATOM 729 C ALA A 45 0.457 -5.053 8.736 1.00 0.00 C ATOM 730 O ALA A 45 -0.481 -4.356 9.139 1.00 0.00 O ATOM 731 CB ALA A 45 1.238 -7.184 9.864 1.00 0.00 C ATOM 0 H ALA A 45 1.545 -7.729 7.446 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.665 -6.872 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.927 -6.781 10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.122 -8.268 9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.283 -6.932 9.686 1.00 0.00 H new ATOM 737 N TYR A 46 1.576 -4.549 8.215 1.00 0.00 N ATOM 738 CA TYR A 46 1.778 -3.115 8.024 1.00 0.00 C ATOM 739 C TYR A 46 0.758 -2.572 7.041 1.00 0.00 C ATOM 740 O TYR A 46 0.165 -1.524 7.270 1.00 0.00 O ATOM 741 CB TYR A 46 3.212 -2.826 7.509 1.00 0.00 C ATOM 742 CG TYR A 46 3.412 -1.417 6.940 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.122 -1.145 5.603 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.860 -0.369 7.726 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.275 0.114 5.077 1.00 0.00 C ATOM 746 CE2 TYR A 46 4.014 0.896 7.191 1.00 0.00 C ATOM 747 CZ TYR A 46 3.721 1.129 5.876 1.00 0.00 C ATOM 748 OH TYR A 46 3.891 2.393 5.360 1.00 0.00 O ATOM 0 H TYR A 46 2.365 -5.122 7.915 1.00 0.00 H new ATOM 0 HA TYR A 46 1.649 -2.619 8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.916 -2.976 8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.461 -3.554 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.769 -1.943 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.091 -0.542 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.044 0.301 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.367 1.704 7.814 1.00 0.00 H new ATOM 0 HH TYR A 46 4.213 2.993 6.065 1.00 0.00 H new ATOM 758 N ALA A 47 0.568 -3.267 5.950 1.00 0.00 N ATOM 759 CA ALA A 47 -0.345 -2.812 4.934 1.00 0.00 C ATOM 760 C ALA A 47 -1.757 -2.669 5.486 1.00 0.00 C ATOM 761 O ALA A 47 -2.395 -1.675 5.256 1.00 0.00 O ATOM 762 CB ALA A 47 -0.303 -3.716 3.745 1.00 0.00 C ATOM 0 H ALA A 47 1.033 -4.151 5.742 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.028 -1.822 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.000 -3.355 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.706 -3.728 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.584 -4.725 4.045 1.00 0.00 H new ATOM 768 N LYS A 48 -2.193 -3.646 6.265 1.00 0.00 N ATOM 769 CA LYS A 48 -3.506 -3.633 6.911 1.00 0.00 C ATOM 770 C LYS A 48 -3.629 -2.476 7.891 1.00 0.00 C ATOM 771 O LYS A 48 -4.634 -1.776 7.907 1.00 0.00 O ATOM 772 CB LYS A 48 -3.728 -4.935 7.672 1.00 0.00 C ATOM 773 CG LYS A 48 -3.893 -6.169 6.802 1.00 0.00 C ATOM 774 CD LYS A 48 -3.808 -7.423 7.650 1.00 0.00 C ATOM 775 CE LYS A 48 -4.066 -8.689 6.850 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.436 -8.748 6.288 1.00 0.00 N ATOM 0 H LYS A 48 -1.644 -4.480 6.472 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.255 -3.519 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.885 -5.093 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.616 -4.827 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.853 -6.134 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.120 -6.187 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.820 -7.482 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.532 -7.357 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.342 -8.753 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.904 -9.556 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.618 -9.702 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.127 -8.530 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.526 -8.054 5.519 1.00 0.00 H new ATOM 790 N LYS A 49 -2.595 -2.271 8.697 1.00 0.00 N ATOM 791 CA LYS A 49 -2.623 -1.226 9.706 1.00 0.00 C ATOM 792 C LYS A 49 -2.651 0.165 9.048 1.00 0.00 C ATOM 793 O LYS A 49 -3.338 1.093 9.512 1.00 0.00 O ATOM 794 CB LYS A 49 -1.445 -1.391 10.716 1.00 0.00 C ATOM 795 CG LYS A 49 -0.075 -1.152 10.194 1.00 0.00 C ATOM 796 CD LYS A 49 0.969 -1.447 11.261 1.00 0.00 C ATOM 797 CE LYS A 49 2.326 -0.876 10.903 1.00 0.00 C ATOM 798 NZ LYS A 49 3.323 -1.130 11.955 1.00 0.00 N ATOM 0 H LYS A 49 -1.731 -2.813 8.670 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.542 -1.322 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.614 -0.709 11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.483 -2.403 11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.102 -1.782 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.018 -0.117 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.641 -1.031 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.054 -2.525 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.668 -1.314 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.236 0.198 10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.238 -0.724 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.009 -0.691 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.428 -2.155 12.094 1.00 0.00 H new ATOM 812 N VAL A 50 -1.947 0.291 7.950 1.00 0.00 N ATOM 813 CA VAL A 50 -1.902 1.530 7.207 1.00 0.00 C ATOM 814 C VAL A 50 -3.196 1.738 6.429 1.00 0.00 C ATOM 815 O VAL A 50 -3.758 2.832 6.433 1.00 0.00 O ATOM 816 CB VAL A 50 -0.655 1.580 6.288 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.683 2.771 5.350 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.583 1.654 7.151 1.00 0.00 C ATOM 0 H VAL A 50 -1.389 -0.461 7.545 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.811 2.355 7.913 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.651 0.679 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.211 2.764 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.568 2.715 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.712 3.692 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.468 1.690 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.543 2.551 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.632 0.774 7.793 1.00 0.00 H new ATOM 828 N GLU A 51 -3.680 0.676 5.816 1.00 0.00 N ATOM 829 CA GLU A 51 -4.928 0.685 5.070 1.00 0.00 C ATOM 830 C GLU A 51 -6.050 1.103 6.018 1.00 0.00 C ATOM 831 O GLU A 51 -6.849 1.970 5.694 1.00 0.00 O ATOM 832 CB GLU A 51 -5.136 -0.721 4.472 1.00 0.00 C ATOM 833 CG GLU A 51 -6.243 -0.894 3.447 1.00 0.00 C ATOM 834 CD GLU A 51 -7.559 -1.347 4.042 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.693 -2.543 4.362 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.479 -0.541 4.196 1.00 0.00 O ATOM 0 H GLU A 51 -3.213 -0.231 5.821 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.916 1.397 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.199 -1.031 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.329 -1.410 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.396 0.052 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.923 -1.620 2.699 1.00 0.00 H new ATOM 843 N GLY A 52 -6.021 0.544 7.230 1.00 0.00 N ATOM 844 CA GLY A 52 -6.966 0.895 8.267 1.00 0.00 C ATOM 845 C GLY A 52 -6.902 2.357 8.636 1.00 0.00 C ATOM 846 O GLY A 52 -7.934 3.005 8.775 1.00 0.00 O ATOM 0 H GLY A 52 -5.340 -0.162 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.975 0.652 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.770 0.291 9.153 1.00 0.00 H new ATOM 850 N ASP A 53 -5.693 2.872 8.765 1.00 0.00 N ATOM 851 CA ASP A 53 -5.448 4.292 9.082 1.00 0.00 C ATOM 852 C ASP A 53 -6.169 5.216 8.097 1.00 0.00 C ATOM 853 O ASP A 53 -6.925 6.113 8.495 1.00 0.00 O ATOM 854 CB ASP A 53 -3.956 4.555 9.010 1.00 0.00 C ATOM 855 CG ASP A 53 -3.563 5.996 9.288 1.00 0.00 C ATOM 856 OD1 ASP A 53 -3.410 6.369 10.474 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.387 6.773 8.333 1.00 0.00 O ATOM 0 H ASP A 53 -4.840 2.324 8.655 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.831 4.497 10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.449 3.908 9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.597 4.277 8.019 1.00 0.00 H new ATOM 862 N MET A 54 -5.953 4.974 6.831 1.00 0.00 N ATOM 863 CA MET A 54 -6.578 5.768 5.759 1.00 0.00 C ATOM 864 C MET A 54 -8.035 5.471 5.558 1.00 0.00 C ATOM 865 O MET A 54 -8.783 6.338 5.128 1.00 0.00 O ATOM 866 CB MET A 54 -5.802 5.714 4.450 1.00 0.00 C ATOM 867 CG MET A 54 -5.199 4.388 4.105 1.00 0.00 C ATOM 868 SD MET A 54 -3.464 4.568 3.583 1.00 0.00 S ATOM 869 CE MET A 54 -2.767 5.528 4.944 1.00 0.00 C ATOM 0 H MET A 54 -5.344 4.228 6.495 1.00 0.00 H new ATOM 0 HA MET A 54 -6.528 6.798 6.113 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.470 6.010 3.641 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.004 6.455 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.255 3.725 4.968 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.775 3.921 3.306 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.692 5.358 4.996 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.959 6.588 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.229 5.218 5.882 1.00 0.00 H new ATOM 879 N TYR A 55 -8.436 4.271 5.883 1.00 0.00 N ATOM 880 CA TYR A 55 -9.808 3.859 5.813 1.00 0.00 C ATOM 881 C TYR A 55 -10.585 4.709 6.815 1.00 0.00 C ATOM 882 O TYR A 55 -11.540 5.375 6.479 1.00 0.00 O ATOM 883 CB TYR A 55 -9.846 2.374 6.191 1.00 0.00 C ATOM 884 CG TYR A 55 -11.137 1.646 5.998 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.434 1.037 4.790 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.024 1.517 7.035 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.587 0.320 4.621 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.199 0.805 6.880 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.470 0.203 5.666 1.00 0.00 C ATOM 890 OH TYR A 55 -14.619 -0.527 5.505 1.00 0.00 O ATOM 0 H TYR A 55 -7.804 3.540 6.210 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.247 3.989 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.080 1.860 5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.564 2.287 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.742 1.130 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.802 1.978 7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.801 -0.150 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.898 0.720 7.699 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.632 -1.264 6.151 1.00 0.00 H new ATOM 900 N GLU A 56 -10.068 4.759 8.017 1.00 0.00 N ATOM 901 CA GLU A 56 -10.661 5.513 9.108 1.00 0.00 C ATOM 902 C GLU A 56 -10.472 7.016 8.932 1.00 0.00 C ATOM 903 O GLU A 56 -11.199 7.812 9.526 1.00 0.00 O ATOM 904 CB GLU A 56 -10.048 5.059 10.413 1.00 0.00 C ATOM 905 CG GLU A 56 -10.398 3.635 10.768 1.00 0.00 C ATOM 906 CD GLU A 56 -11.761 3.499 11.391 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.784 3.805 10.735 1.00 0.00 O ATOM 908 OE2 GLU A 56 -11.824 3.101 12.569 1.00 0.00 O ATOM 0 H GLU A 56 -9.210 4.272 8.275 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.734 5.323 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.964 5.156 10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.382 5.719 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.354 3.021 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.650 3.244 11.457 1.00 0.00 H new ATOM 915 N SER A 57 -9.479 7.403 8.164 1.00 0.00 N ATOM 916 CA SER A 57 -9.239 8.805 7.903 1.00 0.00 C ATOM 917 C SER A 57 -10.164 9.328 6.796 1.00 0.00 C ATOM 918 O SER A 57 -10.272 10.543 6.591 1.00 0.00 O ATOM 919 CB SER A 57 -7.774 9.020 7.516 1.00 0.00 C ATOM 920 OG SER A 57 -7.455 10.397 7.380 1.00 0.00 O ATOM 0 H SER A 57 -8.824 6.767 7.709 1.00 0.00 H new ATOM 0 HA SER A 57 -9.455 9.365 8.813 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.130 8.572 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.568 8.506 6.577 1.00 0.00 H new ATOM 0 HG SER A 57 -8.267 10.901 7.161 1.00 0.00 H new ATOM 926 N ALA A 58 -10.803 8.437 6.079 1.00 0.00 N ATOM 927 CA ALA A 58 -11.663 8.828 5.006 1.00 0.00 C ATOM 928 C ALA A 58 -13.120 8.853 5.412 1.00 0.00 C ATOM 929 O ALA A 58 -13.493 8.415 6.502 1.00 0.00 O ATOM 930 CB ALA A 58 -11.477 7.914 3.850 1.00 0.00 C ATOM 0 H ALA A 58 -10.738 7.430 6.226 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.388 9.845 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.135 8.218 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.441 7.958 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.718 6.894 4.150 1.00 0.00 H new ATOM 936 N ASN A 59 -13.926 9.407 4.537 1.00 0.00 N ATOM 937 CA ASN A 59 -15.372 9.506 4.732 1.00 0.00 C ATOM 938 C ASN A 59 -16.080 8.759 3.630 1.00 0.00 C ATOM 939 O ASN A 59 -17.306 8.808 3.518 1.00 0.00 O ATOM 940 CB ASN A 59 -15.810 10.976 4.695 1.00 0.00 C ATOM 941 CG ASN A 59 -15.084 11.848 5.697 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.538 12.036 6.822 1.00 0.00 O ATOM 943 ND2 ASN A 59 -13.941 12.369 5.304 1.00 0.00 N ATOM 0 H ASN A 59 -13.603 9.809 3.657 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.627 9.075 5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.643 11.371 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.882 11.032 4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.400 12.952 5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.596 12.190 4.361 1.00 0.00 H new ATOM 950 N SER A 60 -15.309 8.074 2.812 1.00 0.00 N ATOM 951 CA SER A 60 -15.812 7.254 1.729 1.00 0.00 C ATOM 952 C SER A 60 -14.694 6.344 1.256 1.00 0.00 C ATOM 953 O SER A 60 -13.526 6.723 1.350 1.00 0.00 O ATOM 954 CB SER A 60 -16.284 8.114 0.549 1.00 0.00 C ATOM 955 OG SER A 60 -17.368 8.956 0.890 1.00 0.00 O ATOM 0 H SER A 60 -14.291 8.072 2.883 1.00 0.00 H new ATOM 0 HA SER A 60 -16.662 6.677 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.453 8.723 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.579 7.464 -0.275 1.00 0.00 H new ATOM 0 HG SER A 60 -17.707 8.710 1.776 1.00 0.00 H new ATOM 961 N ARG A 61 -15.034 5.136 0.803 1.00 0.00 N ATOM 962 CA ARG A 61 -14.023 4.221 0.227 1.00 0.00 C ATOM 963 C ARG A 61 -13.269 4.862 -0.922 1.00 0.00 C ATOM 964 O ARG A 61 -12.072 4.716 -1.014 1.00 0.00 O ATOM 965 CB ARG A 61 -14.509 2.773 -0.190 1.00 0.00 C ATOM 966 CG ARG A 61 -15.691 2.650 -1.168 1.00 0.00 C ATOM 967 CD ARG A 61 -16.930 3.263 -0.615 1.00 0.00 C ATOM 968 NE ARG A 61 -18.082 3.121 -1.526 1.00 0.00 N ATOM 969 CZ ARG A 61 -19.270 3.781 -1.426 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.589 4.460 -0.323 1.00 0.00 N ATOM 971 NH2 ARG A 61 -20.149 3.708 -2.412 1.00 0.00 N ATOM 0 H ARG A 61 -15.984 4.764 0.819 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.361 4.051 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.659 2.252 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.775 2.237 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.435 3.134 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.873 1.598 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.167 2.797 0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.753 4.321 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.980 2.468 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.939 4.491 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.483 4.948 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.937 3.159 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.039 4.201 -2.339 1.00 0.00 H new ATOM 985 N ASP A 62 -13.982 5.604 -1.768 1.00 0.00 N ATOM 986 CA ASP A 62 -13.370 6.315 -2.908 1.00 0.00 C ATOM 987 C ASP A 62 -12.263 7.238 -2.417 1.00 0.00 C ATOM 988 O ASP A 62 -11.146 7.227 -2.935 1.00 0.00 O ATOM 989 CB ASP A 62 -14.435 7.131 -3.639 1.00 0.00 C ATOM 990 CG ASP A 62 -13.899 7.902 -4.811 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.795 7.330 -5.912 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.598 9.099 -4.665 1.00 0.00 O ATOM 0 H ASP A 62 -14.991 5.734 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.943 5.583 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.222 6.460 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.895 7.826 -2.936 1.00 0.00 H new ATOM 997 N GLU A 63 -12.577 7.973 -1.366 1.00 0.00 N ATOM 998 CA GLU A 63 -11.653 8.888 -0.736 1.00 0.00 C ATOM 999 C GLU A 63 -10.467 8.169 -0.118 1.00 0.00 C ATOM 1000 O GLU A 63 -9.316 8.580 -0.317 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.375 9.726 0.316 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.449 10.539 1.192 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.168 11.596 1.941 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.632 11.336 3.062 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.264 12.728 1.423 1.00 0.00 O ATOM 0 H GLU A 63 -13.495 7.948 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.263 9.545 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.070 10.400 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.970 9.066 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.944 9.877 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.676 10.996 0.574 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.743 7.096 0.614 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.711 6.349 1.298 1.00 0.00 C ATOM 1014 C TYR A 64 -8.769 5.729 0.292 1.00 0.00 C ATOM 1015 O TYR A 64 -7.554 5.830 0.425 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.352 5.331 2.277 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.023 3.890 2.088 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -8.921 3.337 2.687 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.830 3.082 1.323 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.630 2.025 2.527 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.549 1.764 1.157 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.445 1.238 1.763 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.155 -0.071 1.619 1.00 0.00 O ATOM 0 H TYR A 64 -11.685 6.726 0.746 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.102 7.014 1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.063 5.611 3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.435 5.439 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.277 3.956 3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.703 3.503 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.757 1.602 3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.191 1.140 0.553 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.185 -0.199 1.676 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.354 5.164 -0.744 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.637 4.597 -1.844 1.00 0.00 C ATOM 1035 C TYR A 65 -7.786 5.668 -2.505 1.00 0.00 C ATOM 1036 O TYR A 65 -6.612 5.474 -2.671 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.646 3.933 -2.816 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.168 3.607 -4.220 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.860 3.219 -4.505 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.053 3.715 -5.270 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.469 2.959 -5.797 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.669 3.463 -6.553 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.381 3.088 -6.816 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.003 2.861 -8.105 1.00 0.00 O ATOM 0 H TYR A 65 -10.367 5.090 -0.837 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.953 3.819 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.993 3.007 -2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.511 4.591 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.145 3.121 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.074 4.006 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.454 2.656 -6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.380 3.559 -7.360 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.771 2.995 -8.699 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.371 6.825 -2.774 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.662 7.911 -3.452 1.00 0.00 C ATOM 1056 C HIS A 66 -6.469 8.409 -2.639 1.00 0.00 C ATOM 1057 O HIS A 66 -5.373 8.525 -3.159 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.611 9.076 -3.775 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.985 10.153 -4.614 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -8.117 10.249 -5.981 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.219 11.189 -4.244 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.442 11.325 -6.383 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.878 11.937 -5.361 1.00 0.00 N ATOM 0 H HIS A 66 -9.339 7.041 -2.534 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.280 7.503 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.486 8.686 -4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.964 9.515 -2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.639 9.610 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.914 11.408 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.367 11.652 -7.410 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.672 8.671 -1.369 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.608 9.235 -0.564 1.00 0.00 C ATOM 1073 C LEU A 67 -4.510 8.194 -0.281 1.00 0.00 C ATOM 1074 O LEU A 67 -3.306 8.539 -0.167 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.174 9.917 0.718 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.773 9.019 1.807 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.704 8.515 2.726 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.850 9.725 2.599 1.00 0.00 C ATOM 0 H LEU A 67 -7.549 8.507 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.123 10.028 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.370 10.498 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.943 10.624 0.408 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.237 8.172 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.151 7.880 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.976 7.938 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.205 9.359 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.245 9.050 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.428 10.607 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.655 10.028 1.929 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.900 6.915 -0.203 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.926 5.866 0.016 1.00 0.00 C ATOM 1092 C LEU A 68 -3.183 5.625 -1.273 1.00 0.00 C ATOM 1093 O LEU A 68 -1.990 5.323 -1.273 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.574 4.572 0.585 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.230 3.536 -0.342 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.190 2.619 -0.974 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.212 2.718 0.445 1.00 0.00 C ATOM 0 H LEU A 68 -5.865 6.597 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.216 6.185 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.801 4.050 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.334 4.885 1.301 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.742 4.068 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.687 1.898 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.489 3.213 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.649 2.088 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.679 1.982 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.692 2.206 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.978 3.371 0.862 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.900 5.790 -2.371 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.354 5.671 -3.690 1.00 0.00 C ATOM 1111 C ALA A 69 -2.293 6.723 -3.872 1.00 0.00 C ATOM 1112 O ALA A 69 -1.244 6.461 -4.389 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.451 5.828 -4.712 1.00 0.00 C ATOM 0 H ALA A 69 -4.895 6.014 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.905 4.687 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.031 5.737 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.202 5.053 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.914 6.808 -4.601 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.564 7.890 -3.364 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.630 8.985 -3.399 1.00 0.00 C ATOM 1121 C GLU A 70 -0.353 8.673 -2.613 1.00 0.00 C ATOM 1122 O GLU A 70 0.777 8.897 -3.121 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.303 10.244 -2.888 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.315 10.809 -3.865 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.654 11.501 -5.033 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -1.969 10.853 -5.834 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.755 12.734 -5.124 1.00 0.00 O ATOM 0 H GLU A 70 -3.449 8.114 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.324 9.143 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.800 10.026 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.543 10.998 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.950 10.004 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.964 11.515 -3.346 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.505 8.138 -1.397 1.00 0.00 N ATOM 1135 CA LYS A 71 0.665 7.807 -0.593 1.00 0.00 C ATOM 1136 C LYS A 71 1.466 6.666 -1.226 1.00 0.00 C ATOM 1137 O LYS A 71 2.689 6.721 -1.284 1.00 0.00 O ATOM 1138 CB LYS A 71 0.323 7.556 0.926 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.529 6.325 1.269 1.00 0.00 C ATOM 1140 CD LYS A 71 0.275 5.009 1.365 1.00 0.00 C ATOM 1141 CE LYS A 71 1.011 4.816 2.710 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.030 5.851 3.014 1.00 0.00 N ATOM 0 H LYS A 71 -1.404 7.931 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 71 1.309 8.686 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.262 7.478 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.194 8.438 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.035 6.500 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.304 6.210 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.403 4.170 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.005 4.982 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.274 4.804 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.495 3.839 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.642 5.519 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.607 6.030 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.556 6.731 3.302 1.00 0.00 H new ATOM 1156 N ILE A 72 0.776 5.665 -1.749 1.00 0.00 N ATOM 1157 CA ILE A 72 1.457 4.529 -2.340 1.00 0.00 C ATOM 1158 C ILE A 72 2.204 4.960 -3.611 1.00 0.00 C ATOM 1159 O ILE A 72 3.358 4.643 -3.788 1.00 0.00 O ATOM 1160 CB ILE A 72 0.491 3.320 -2.621 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.262 2.127 -3.078 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.550 3.640 -3.628 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.411 0.956 -3.461 1.00 0.00 C ATOM 0 H ILE A 72 -0.243 5.617 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 72 2.184 4.170 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.011 3.104 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.876 2.411 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.943 1.822 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.187 2.769 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.155 4.474 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.074 3.912 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.049 0.132 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.184 0.643 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.252 1.240 -4.278 1.00 0.00 H new ATOM 1175 N TYR A 73 1.530 5.739 -4.426 1.00 0.00 N ATOM 1176 CA TYR A 73 2.026 6.300 -5.676 1.00 0.00 C ATOM 1177 C TYR A 73 3.355 7.033 -5.466 1.00 0.00 C ATOM 1178 O TYR A 73 4.345 6.788 -6.200 1.00 0.00 O ATOM 1179 CB TYR A 73 0.936 7.254 -6.165 1.00 0.00 C ATOM 1180 CG TYR A 73 1.141 8.044 -7.419 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.871 9.210 -7.404 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.519 7.668 -8.594 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.985 9.993 -8.532 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.637 8.426 -9.729 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.366 9.591 -9.695 1.00 0.00 C ATOM 1186 OH TYR A 73 1.450 10.371 -10.819 1.00 0.00 O ATOM 0 H TYR A 73 0.568 6.017 -4.230 1.00 0.00 H new ATOM 0 HA TYR A 73 2.228 5.520 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.027 6.667 -6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.743 7.965 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.363 9.517 -6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.069 6.763 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.553 10.911 -8.505 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.160 8.110 -10.645 1.00 0.00 H new ATOM 0 HH TYR A 73 0.959 9.943 -11.552 1.00 0.00 H new ATOM 1196 N LYS A 74 3.394 7.910 -4.463 1.00 0.00 N ATOM 1197 CA LYS A 74 4.607 8.665 -4.195 1.00 0.00 C ATOM 1198 C LYS A 74 5.701 7.744 -3.658 1.00 0.00 C ATOM 1199 O LYS A 74 6.867 7.943 -3.946 1.00 0.00 O ATOM 1200 CB LYS A 74 4.353 9.857 -3.259 1.00 0.00 C ATOM 1201 CG LYS A 74 4.048 9.492 -1.816 1.00 0.00 C ATOM 1202 CD LYS A 74 3.646 10.714 -0.987 1.00 0.00 C ATOM 1203 CE LYS A 74 2.374 11.376 -1.515 1.00 0.00 C ATOM 1204 NZ LYS A 74 1.968 12.533 -0.703 1.00 0.00 N ATOM 0 H LYS A 74 2.614 8.109 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 74 4.952 9.087 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.229 10.505 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.520 10.438 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.244 8.756 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.924 9.023 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.494 10.414 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.460 11.439 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.534 11.696 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.566 10.645 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.101 12.949 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.789 12.226 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.727 13.244 -0.708 1.00 0.00 H new ATOM 1218 N ILE A 75 5.307 6.722 -2.905 1.00 0.00 N ATOM 1219 CA ILE A 75 6.246 5.728 -2.411 1.00 0.00 C ATOM 1220 C ILE A 75 6.837 4.909 -3.577 1.00 0.00 C ATOM 1221 O ILE A 75 8.029 4.618 -3.589 1.00 0.00 O ATOM 1222 CB ILE A 75 5.595 4.805 -1.314 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.818 5.353 0.104 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.101 3.389 -1.391 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.257 6.727 0.371 1.00 0.00 C ATOM 0 H ILE A 75 4.339 6.563 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 75 7.068 6.255 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 75 4.525 4.802 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.377 4.656 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.890 5.374 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.624 2.790 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.865 2.971 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.181 3.380 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.472 7.014 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.715 7.445 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.178 6.716 0.215 1.00 0.00 H new ATOM 1237 N GLN A 76 5.997 4.584 -4.560 1.00 0.00 N ATOM 1238 CA GLN A 76 6.417 3.837 -5.752 1.00 0.00 C ATOM 1239 C GLN A 76 7.520 4.604 -6.470 1.00 0.00 C ATOM 1240 O GLN A 76 8.561 4.054 -6.809 1.00 0.00 O ATOM 1241 CB GLN A 76 5.234 3.640 -6.692 1.00 0.00 C ATOM 1242 CG GLN A 76 4.078 2.886 -6.109 1.00 0.00 C ATOM 1243 CD GLN A 76 4.208 1.385 -6.157 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.296 0.821 -6.156 1.00 0.00 O ATOM 1245 NE2 GLN A 76 3.080 0.723 -6.160 1.00 0.00 N ATOM 0 H GLN A 76 5.007 4.829 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 76 6.791 2.860 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.882 4.619 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.580 3.113 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.951 3.192 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.171 3.174 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.193 1.227 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.087 -0.297 -6.162 1.00 0.00 H new ATOM 1254 N LYS A 77 7.303 5.888 -6.687 1.00 0.00 N ATOM 1255 CA LYS A 77 8.365 6.683 -7.289 1.00 0.00 C ATOM 1256 C LYS A 77 9.549 6.908 -6.404 1.00 0.00 C ATOM 1257 O LYS A 77 10.667 6.967 -6.886 1.00 0.00 O ATOM 1258 CB LYS A 77 7.900 7.942 -7.947 1.00 0.00 C ATOM 1259 CG LYS A 77 6.762 8.633 -7.290 1.00 0.00 C ATOM 1260 CD LYS A 77 5.873 9.263 -8.346 1.00 0.00 C ATOM 1261 CE LYS A 77 5.281 8.237 -9.379 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.266 7.697 -10.412 1.00 0.00 N ATOM 0 H LYS A 77 6.442 6.389 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 77 8.720 6.043 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.740 8.634 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.616 7.710 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.189 7.924 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.132 9.398 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.051 9.781 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.446 10.017 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.862 7.395 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.455 8.715 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.756 7.457 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.984 8.420 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.730 6.845 -10.037 1.00 0.00 H new ATOM 1276 N GLU A 78 9.310 7.013 -5.125 1.00 0.00 N ATOM 1277 CA GLU A 78 10.371 7.148 -4.161 1.00 0.00 C ATOM 1278 C GLU A 78 11.282 5.934 -4.263 1.00 0.00 C ATOM 1279 O GLU A 78 12.494 6.059 -4.358 1.00 0.00 O ATOM 1280 CB GLU A 78 9.771 7.250 -2.767 1.00 0.00 C ATOM 1281 CG GLU A 78 10.782 7.501 -1.649 1.00 0.00 C ATOM 1282 CD GLU A 78 11.626 8.732 -1.872 1.00 0.00 C ATOM 1283 OE1 GLU A 78 11.135 9.869 -1.633 1.00 0.00 O ATOM 1284 OE2 GLU A 78 12.784 8.601 -2.270 1.00 0.00 O ATOM 0 H GLU A 78 8.374 7.007 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 78 10.953 8.049 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.037 8.056 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.233 6.327 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.250 7.601 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.435 6.633 -1.558 1.00 0.00 H new ATOM 1291 N LEU A 79 10.681 4.753 -4.325 1.00 0.00 N ATOM 1292 CA LEU A 79 11.444 3.548 -4.402 1.00 0.00 C ATOM 1293 C LEU A 79 12.194 3.422 -5.708 1.00 0.00 C ATOM 1294 O LEU A 79 13.340 3.021 -5.685 1.00 0.00 O ATOM 1295 CB LEU A 79 10.618 2.285 -4.055 1.00 0.00 C ATOM 1296 CG LEU A 79 9.456 1.890 -4.970 1.00 0.00 C ATOM 1297 CD1 LEU A 79 9.910 1.075 -6.176 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.418 1.152 -4.200 1.00 0.00 C ATOM 0 H LEU A 79 9.670 4.620 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 79 12.203 3.622 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.307 1.441 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.216 2.419 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 79 9.026 2.814 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.046 0.822 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.616 1.660 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.393 0.159 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.598 0.878 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.855 0.250 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.039 1.787 -3.399 1.00 0.00 H new ATOM 1310 N GLU A 80 11.575 3.813 -6.830 1.00 0.00 N ATOM 1311 CA GLU A 80 12.227 3.681 -8.129 1.00 0.00 C ATOM 1312 C GLU A 80 13.485 4.563 -8.191 1.00 0.00 C ATOM 1313 O GLU A 80 14.561 4.100 -8.568 1.00 0.00 O ATOM 1314 CB GLU A 80 11.251 3.963 -9.325 1.00 0.00 C ATOM 1315 CG GLU A 80 10.823 5.417 -9.494 1.00 0.00 C ATOM 1316 CD GLU A 80 9.820 5.653 -10.615 1.00 0.00 C ATOM 1317 OE1 GLU A 80 10.207 5.516 -11.790 1.00 0.00 O ATOM 1318 OE2 GLU A 80 8.645 6.030 -10.353 1.00 0.00 O ATOM 0 H GLU A 80 10.639 4.216 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 80 12.536 2.641 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.730 3.634 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.358 3.352 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.390 5.767 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.709 6.024 -9.682 1.00 0.00 H new ATOM 1325 N GLU A 81 13.368 5.801 -7.730 1.00 0.00 N ATOM 1326 CA GLU A 81 14.478 6.720 -7.780 1.00 0.00 C ATOM 1327 C GLU A 81 15.521 6.428 -6.711 1.00 0.00 C ATOM 1328 O GLU A 81 16.710 6.515 -6.980 1.00 0.00 O ATOM 1329 CB GLU A 81 14.018 8.186 -7.774 1.00 0.00 C ATOM 1330 CG GLU A 81 13.187 8.601 -6.578 1.00 0.00 C ATOM 1331 CD GLU A 81 12.597 9.975 -6.743 1.00 0.00 C ATOM 1332 OE1 GLU A 81 11.658 10.143 -7.560 1.00 0.00 O ATOM 1333 OE2 GLU A 81 13.040 10.922 -6.057 1.00 0.00 O ATOM 0 H GLU A 81 12.516 6.183 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 81 14.974 6.559 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.899 8.826 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.439 8.371 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.384 7.879 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.807 8.579 -5.682 1.00 0.00 H new ATOM 1340 N LYS A 82 15.093 6.033 -5.509 1.00 0.00 N ATOM 1341 CA LYS A 82 16.047 5.738 -4.440 1.00 0.00 C ATOM 1342 C LYS A 82 16.831 4.456 -4.772 1.00 0.00 C ATOM 1343 O LYS A 82 18.007 4.342 -4.457 1.00 0.00 O ATOM 1344 CB LYS A 82 15.346 5.662 -3.033 1.00 0.00 C ATOM 1345 CG LYS A 82 14.529 4.391 -2.765 1.00 0.00 C ATOM 1346 CD LYS A 82 15.381 3.316 -2.109 1.00 0.00 C ATOM 1347 CE LYS A 82 14.865 1.923 -2.395 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.489 1.657 -1.898 1.00 0.00 N ATOM 0 H LYS A 82 14.112 5.912 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 82 16.759 6.561 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.111 5.750 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.687 6.524 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.682 4.629 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.121 4.013 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.408 3.401 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.403 3.479 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.886 1.756 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.545 1.199 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.197 0.700 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.474 1.732 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.832 2.353 -2.305 1.00 0.00 H new ATOM 1362 N ARG A 83 16.165 3.518 -5.447 1.00 0.00 N ATOM 1363 CA ARG A 83 16.759 2.232 -5.830 1.00 0.00 C ATOM 1364 C ARG A 83 17.741 2.456 -6.977 1.00 0.00 C ATOM 1365 O ARG A 83 18.816 1.865 -7.016 1.00 0.00 O ATOM 1366 CB ARG A 83 15.640 1.272 -6.268 1.00 0.00 C ATOM 1367 CG ARG A 83 16.048 -0.147 -6.616 1.00 0.00 C ATOM 1368 CD ARG A 83 16.443 -0.968 -5.395 1.00 0.00 C ATOM 1369 NE ARG A 83 16.772 -2.329 -5.799 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.221 -3.305 -5.010 1.00 0.00 C ATOM 1371 NH1 ARG A 83 17.132 -3.215 -3.688 1.00 0.00 N ATOM 1372 NH2 ARG A 83 17.643 -4.436 -5.560 1.00 0.00 N ATOM 0 H ARG A 83 15.196 3.627 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 83 17.292 1.797 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.901 1.226 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.143 1.704 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.223 -0.641 -7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.885 -0.118 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.298 -0.510 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.625 -0.981 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 83 16.646 -2.558 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.714 -2.389 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.481 -3.972 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.621 -4.550 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.989 -5.192 -4.969 1.00 0.00 H new ATOM 1386 N ARG A 84 17.368 3.353 -7.884 1.00 0.00 N ATOM 1387 CA ARG A 84 18.198 3.708 -9.043 1.00 0.00 C ATOM 1388 C ARG A 84 19.384 4.529 -8.613 1.00 0.00 C ATOM 1389 O ARG A 84 20.378 4.588 -9.343 1.00 0.00 O ATOM 1390 CB ARG A 84 17.342 4.486 -10.080 1.00 0.00 C ATOM 1391 CG ARG A 84 18.026 4.891 -11.413 1.00 0.00 C ATOM 1392 CD ARG A 84 18.869 6.181 -11.361 1.00 0.00 C ATOM 1393 NE ARG A 84 18.175 7.324 -10.728 1.00 0.00 N ATOM 1394 CZ ARG A 84 17.272 8.134 -11.318 1.00 0.00 C ATOM 1395 NH1 ARG A 84 16.789 7.860 -12.529 1.00 0.00 N ATOM 1396 NH2 ARG A 84 16.849 9.210 -10.677 1.00 0.00 N ATOM 0 H ARG A 84 16.483 3.858 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 84 18.571 2.794 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.470 3.878 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.975 5.394 -9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.668 4.071 -11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.256 5.012 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.790 5.980 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.154 6.458 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 84 18.401 7.518 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.101 7.026 -13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.107 8.484 -12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.205 9.421 -9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.166 9.829 -11.115 1.00 0.00 H new ATOM 1410 N SER A 85 19.269 5.092 -7.393 1.00 0.00 N ATOM 1411 CA SER A 85 20.180 6.050 -6.792 1.00 0.00 C ATOM 1412 C SER A 85 19.695 7.470 -7.098 1.00 0.00 C ATOM 1413 O SER A 85 19.568 7.861 -8.265 1.00 0.00 O ATOM 1414 CB SER A 85 21.627 5.797 -7.198 1.00 0.00 C ATOM 1415 OG SER A 85 22.037 4.509 -6.733 1.00 0.00 O ATOM 0 H SER A 85 18.488 4.868 -6.776 1.00 0.00 H new ATOM 0 HA SER A 85 20.173 5.925 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.726 5.852 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.273 6.569 -6.779 1.00 0.00 H new ATOM 0 HG SER A 85 22.967 4.347 -6.996 1.00 0.00 H new ATOM 1421 N ARG A 86 19.347 8.208 -6.048 1.00 0.00 N ATOM 1422 CA ARG A 86 18.755 9.541 -6.215 1.00 0.00 C ATOM 1423 C ARG A 86 19.589 10.636 -5.578 1.00 0.00 C ATOM 1424 O ARG A 86 19.327 11.813 -5.783 1.00 0.00 O ATOM 1425 CB ARG A 86 17.346 9.603 -5.614 1.00 0.00 C ATOM 1426 CG ARG A 86 17.296 9.349 -4.112 1.00 0.00 C ATOM 1427 CD ARG A 86 15.935 9.703 -3.516 1.00 0.00 C ATOM 1428 NE ARG A 86 15.676 11.153 -3.560 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.651 11.774 -2.951 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.695 11.079 -2.361 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.568 13.101 -2.986 1.00 0.00 N ATOM 0 H ARG A 86 19.461 7.913 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 86 18.715 9.710 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.918 10.584 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.716 8.869 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.516 8.300 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.071 9.936 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.152 9.178 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.890 9.357 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 86 16.325 11.731 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.729 10.060 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.922 11.562 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.281 13.644 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.792 13.576 -2.525 1.00 0.00 H new ATOM 1445 N LEU A 87 20.554 10.263 -4.787 1.00 0.00 N ATOM 1446 CA LEU A 87 21.374 11.256 -4.090 1.00 0.00 C ATOM 1447 C LEU A 87 22.430 11.847 -5.017 1.00 0.00 C ATOM 1448 O LEU A 87 22.651 11.343 -6.130 1.00 0.00 O ATOM 1449 CB LEU A 87 22.044 10.695 -2.814 1.00 0.00 C ATOM 1450 CG LEU A 87 21.130 10.259 -1.644 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.385 8.963 -1.941 1.00 0.00 C ATOM 1452 CD2 LEU A 87 21.940 10.128 -0.370 1.00 0.00 C ATOM 0 H LEU A 87 20.804 9.292 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 87 20.690 12.045 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 87 22.647 9.835 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.730 11.453 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 87 20.376 11.035 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.758 8.700 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.760 9.097 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.104 8.164 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.287 9.821 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 87 22.721 9.381 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 22.396 11.088 -0.128 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 17.032 7.400 16.833 1.00 0.00 N ATOM 1466 CA GLY B 101 15.736 7.763 16.320 1.00 0.00 C ATOM 1467 C GLY B 101 14.618 7.232 17.194 1.00 0.00 C ATOM 1468 O GLY B 101 13.737 6.520 16.719 1.00 0.00 O ATOM 0 HA2 GLY B 101 15.662 8.848 16.254 1.00 0.00 H new ATOM 0 HA3 GLY B 101 15.623 7.374 15.308 1.00 0.00 H new ATOM 1472 N SER B 102 14.653 7.571 18.468 1.00 0.00 N ATOM 1473 CA SER B 102 13.653 7.103 19.409 1.00 0.00 C ATOM 1474 C SER B 102 12.312 7.841 19.230 1.00 0.00 C ATOM 1475 O SER B 102 11.245 7.253 19.399 1.00 0.00 O ATOM 1476 CB SER B 102 14.176 7.244 20.841 1.00 0.00 C ATOM 1477 OG SER B 102 15.420 6.557 20.992 1.00 0.00 O ATOM 0 H SER B 102 15.368 8.173 18.878 1.00 0.00 H new ATOM 0 HA SER B 102 13.463 6.049 19.208 1.00 0.00 H new ATOM 0 HB2 SER B 102 14.305 8.299 21.085 1.00 0.00 H new ATOM 0 HB3 SER B 102 13.445 6.842 21.542 1.00 0.00 H new ATOM 0 HG SER B 102 15.740 6.659 21.912 1.00 0.00 H new ATOM 1483 N MET B 103 12.369 9.108 18.854 1.00 0.00 N ATOM 1484 CA MET B 103 11.149 9.894 18.665 1.00 0.00 C ATOM 1485 C MET B 103 10.662 9.754 17.231 1.00 0.00 C ATOM 1486 O MET B 103 9.458 9.867 16.951 1.00 0.00 O ATOM 1487 CB MET B 103 11.406 11.381 18.968 1.00 0.00 C ATOM 1488 CG MET B 103 10.170 12.267 18.816 1.00 0.00 C ATOM 1489 SD MET B 103 10.527 14.032 18.969 1.00 0.00 S ATOM 1490 CE MET B 103 11.184 14.100 20.635 1.00 0.00 C ATOM 0 H MET B 103 13.235 9.615 18.674 1.00 0.00 H new ATOM 0 HA MET B 103 10.391 9.519 19.352 1.00 0.00 H new ATOM 0 HB2 MET B 103 11.785 11.474 19.986 1.00 0.00 H new ATOM 0 HB3 MET B 103 12.188 11.747 18.302 1.00 0.00 H new ATOM 0 HG2 MET B 103 9.715 12.079 17.843 1.00 0.00 H new ATOM 0 HG3 MET B 103 9.436 11.986 19.571 1.00 0.00 H new ATOM 0 HE1 MET B 103 11.219 15.137 20.970 1.00 0.00 H new ATOM 0 HE2 MET B 103 10.543 13.524 21.303 1.00 0.00 H new ATOM 0 HE3 MET B 103 12.190 13.681 20.647 1.00 0.00 H new ATOM 1500 N SER B 104 11.622 9.495 16.345 1.00 0.00 N ATOM 1501 CA SER B 104 11.434 9.413 14.911 1.00 0.00 C ATOM 1502 C SER B 104 11.299 10.813 14.322 1.00 0.00 C ATOM 1503 O SER B 104 10.594 11.677 14.865 1.00 0.00 O ATOM 1504 CB SER B 104 10.254 8.491 14.497 1.00 0.00 C ATOM 1505 OG SER B 104 10.113 8.417 13.077 1.00 0.00 O ATOM 0 H SER B 104 12.589 9.331 16.626 1.00 0.00 H new ATOM 0 HA SER B 104 12.323 8.941 14.493 1.00 0.00 H new ATOM 0 HB2 SER B 104 10.416 7.491 14.899 1.00 0.00 H new ATOM 0 HB3 SER B 104 9.329 8.865 14.935 1.00 0.00 H new ATOM 0 HG SER B 104 9.363 7.828 12.853 1.00 0.00 H new ATOM 1511 N HIS B 105 12.005 11.033 13.231 1.00 0.00 N ATOM 1512 CA HIS B 105 12.002 12.307 12.526 1.00 0.00 C ATOM 1513 C HIS B 105 10.595 12.563 12.014 1.00 0.00 C ATOM 1514 O HIS B 105 10.088 13.688 12.046 1.00 0.00 O ATOM 1515 CB HIS B 105 12.983 12.253 11.347 1.00 0.00 C ATOM 1516 CG HIS B 105 14.363 11.788 11.713 1.00 0.00 C ATOM 1517 ND1 HIS B 105 14.770 10.473 11.646 1.00 0.00 N ATOM 1518 CD2 HIS B 105 15.420 12.481 12.182 1.00 0.00 C ATOM 1519 CE1 HIS B 105 16.030 10.406 12.074 1.00 0.00 C ATOM 1520 NE2 HIS B 105 16.476 11.602 12.414 1.00 0.00 N ATOM 0 H HIS B 105 12.604 10.328 12.802 1.00 0.00 H new ATOM 0 HA HIS B 105 12.310 13.109 13.197 1.00 0.00 H new ATOM 0 HB2 HIS B 105 12.579 11.589 10.583 1.00 0.00 H new ATOM 0 HB3 HIS B 105 13.053 13.245 10.902 1.00 0.00 H new ATOM 0 HD2 HIS B 105 15.444 13.547 12.351 1.00 0.00 H new ATOM 0 HE1 HIS B 105 16.609 9.496 12.135 1.00 0.00 H new ATOM 0 HE2 HIS B 105 17.402 11.834 12.772 1.00 0.00 H new ATOM 1528 N TYR B 106 9.996 11.486 11.513 1.00 0.00 N ATOM 1529 CA TYR B 106 8.587 11.406 11.097 1.00 0.00 C ATOM 1530 C TYR B 106 8.266 12.164 9.794 1.00 0.00 C ATOM 1531 O TYR B 106 7.212 11.957 9.190 1.00 0.00 O ATOM 1532 CB TYR B 106 7.647 11.771 12.276 1.00 0.00 C ATOM 1533 CG TYR B 106 6.168 11.518 12.054 1.00 0.00 C ATOM 1534 CD1 TYR B 106 5.679 10.224 11.904 1.00 0.00 C ATOM 1535 CD2 TYR B 106 5.260 12.568 12.014 1.00 0.00 C ATOM 1536 CE1 TYR B 106 4.331 9.986 11.716 1.00 0.00 C ATOM 1537 CE2 TYR B 106 3.910 12.337 11.831 1.00 0.00 C ATOM 1538 CZ TYR B 106 3.451 11.042 11.684 1.00 0.00 C ATOM 1539 OH TYR B 106 2.102 10.806 11.501 1.00 0.00 O ATOM 0 H TYR B 106 10.494 10.606 11.378 1.00 0.00 H new ATOM 0 HA TYR B 106 8.396 10.366 10.834 1.00 0.00 H new ATOM 0 HB2 TYR B 106 7.963 11.208 13.154 1.00 0.00 H new ATOM 0 HB3 TYR B 106 7.783 12.827 12.509 1.00 0.00 H new ATOM 0 HD1 TYR B 106 6.365 9.391 11.935 1.00 0.00 H new ATOM 0 HD2 TYR B 106 5.615 13.582 12.128 1.00 0.00 H new ATOM 0 HE1 TYR B 106 3.970 8.975 11.595 1.00 0.00 H new ATOM 0 HE2 TYR B 106 3.217 13.165 11.803 1.00 0.00 H new ATOM 0 HH TYR B 106 1.618 11.658 11.504 1.00 0.00 H new ATOM 1549 N GLY B 107 9.176 12.993 9.347 1.00 0.00 N ATOM 1550 CA GLY B 107 8.971 13.684 8.104 1.00 0.00 C ATOM 1551 C GLY B 107 9.398 12.826 6.939 1.00 0.00 C ATOM 1552 O GLY B 107 8.580 12.169 6.291 1.00 0.00 O ATOM 0 H GLY B 107 10.055 13.203 9.820 1.00 0.00 H new ATOM 0 HA2 GLY B 107 7.919 13.950 8.000 1.00 0.00 H new ATOM 0 HA3 GLY B 107 9.537 14.615 8.103 1.00 0.00 H new ATOM 1556 N ASN B 108 10.690 12.721 6.766 1.00 0.00 N ATOM 1557 CA ASN B 108 11.303 11.969 5.659 1.00 0.00 C ATOM 1558 C ASN B 108 11.478 10.524 6.015 1.00 0.00 C ATOM 1559 O ASN B 108 12.324 9.833 5.440 1.00 0.00 O ATOM 1560 CB ASN B 108 12.668 12.557 5.244 1.00 0.00 C ATOM 1561 CG ASN B 108 12.565 13.765 4.339 1.00 0.00 C ATOM 1562 OD1 ASN B 108 12.475 14.900 4.803 1.00 0.00 O ATOM 1563 ND2 ASN B 108 12.592 13.539 3.042 1.00 0.00 N ATOM 0 H ASN B 108 11.371 13.155 7.389 1.00 0.00 H new ATOM 0 HA ASN B 108 10.618 12.054 4.815 1.00 0.00 H new ATOM 0 HB2 ASN B 108 13.221 12.834 6.141 1.00 0.00 H new ATOM 0 HB3 ASN B 108 13.247 11.784 4.738 1.00 0.00 H new ATOM 0 HD21 ASN B 108 12.538 14.319 2.387 1.00 0.00 H new ATOM 0 HD22 ASN B 108 12.667 12.584 2.692 1.00 0.00 H new ATOM 1570 N GLN B 109 10.637 10.037 6.921 1.00 0.00 N ATOM 1571 CA GLN B 109 10.679 8.645 7.335 1.00 0.00 C ATOM 1572 C GLN B 109 10.515 7.683 6.165 1.00 0.00 C ATOM 1573 O GLN B 109 11.050 6.595 6.187 1.00 0.00 O ATOM 1574 CB GLN B 109 9.722 8.322 8.527 1.00 0.00 C ATOM 1575 CG GLN B 109 8.270 8.873 8.482 1.00 0.00 C ATOM 1576 CD GLN B 109 7.474 8.513 7.244 1.00 0.00 C ATOM 1577 OE1 GLN B 109 6.849 7.454 7.173 1.00 0.00 O ATOM 1578 NE2 GLN B 109 7.401 9.430 6.316 1.00 0.00 N ATOM 0 H GLN B 109 9.916 10.591 7.383 1.00 0.00 H new ATOM 0 HA GLN B 109 11.684 8.484 7.724 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.662 7.238 8.620 1.00 0.00 H new ATOM 0 HB3 GLN B 109 10.190 8.695 9.438 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.733 8.506 9.357 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.309 9.959 8.564 1.00 0.00 H new ATOM 0 HE21 GLN B 109 7.934 10.295 6.410 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.811 9.281 5.497 1.00 0.00 H new ATOM 1587 N THR B 110 9.847 8.152 5.121 1.00 0.00 N ATOM 1588 CA THR B 110 9.603 7.415 3.919 1.00 0.00 C ATOM 1589 C THR B 110 10.911 6.901 3.312 1.00 0.00 C ATOM 1590 O THR B 110 11.024 5.732 2.997 1.00 0.00 O ATOM 1591 CB THR B 110 8.948 8.366 2.917 1.00 0.00 C ATOM 1592 OG1 THR B 110 7.887 9.066 3.578 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.394 7.608 1.736 1.00 0.00 C ATOM 0 H THR B 110 9.451 9.092 5.101 1.00 0.00 H new ATOM 0 HA THR B 110 8.966 6.560 4.145 1.00 0.00 H new ATOM 0 HB THR B 110 9.697 9.067 2.549 1.00 0.00 H new ATOM 0 HG1 THR B 110 7.458 9.681 2.947 1.00 0.00 H new ATOM 0 HG21 THR B 110 7.934 8.307 1.038 1.00 0.00 H new ATOM 0 HG22 THR B 110 9.202 7.074 1.235 1.00 0.00 H new ATOM 0 HG23 THR B 110 7.646 6.894 2.080 1.00 0.00 H new ATOM 1601 N LEU B 111 11.909 7.769 3.241 1.00 0.00 N ATOM 1602 CA LEU B 111 13.171 7.451 2.596 1.00 0.00 C ATOM 1603 C LEU B 111 13.858 6.290 3.326 1.00 0.00 C ATOM 1604 O LEU B 111 14.100 5.229 2.738 1.00 0.00 O ATOM 1605 CB LEU B 111 14.065 8.734 2.546 1.00 0.00 C ATOM 1606 CG LEU B 111 15.376 8.725 1.692 1.00 0.00 C ATOM 1607 CD1 LEU B 111 16.467 7.832 2.271 1.00 0.00 C ATOM 1608 CD2 LEU B 111 15.083 8.338 0.250 1.00 0.00 C ATOM 0 H LEU B 111 11.866 8.712 3.629 1.00 0.00 H new ATOM 0 HA LEU B 111 12.997 7.125 1.570 1.00 0.00 H new ATOM 0 HB2 LEU B 111 13.443 9.552 2.182 1.00 0.00 H new ATOM 0 HB3 LEU B 111 14.344 8.978 3.571 1.00 0.00 H new ATOM 0 HG LEU B 111 15.760 9.745 1.719 1.00 0.00 H new ATOM 0 HD11 LEU B 111 17.348 7.872 1.630 1.00 0.00 H new ATOM 0 HD12 LEU B 111 16.729 8.179 3.270 1.00 0.00 H new ATOM 0 HD13 LEU B 111 16.105 6.805 2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 111 16.010 8.339 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU B 111 14.641 7.342 0.223 1.00 0.00 H new ATOM 0 HD23 LEU B 111 14.387 9.055 -0.185 1.00 0.00 H new ATOM 1620 N GLN B 112 14.099 6.463 4.614 1.00 0.00 N ATOM 1621 CA GLN B 112 14.848 5.479 5.375 1.00 0.00 C ATOM 1622 C GLN B 112 14.035 4.212 5.663 1.00 0.00 C ATOM 1623 O GLN B 112 14.576 3.099 5.620 1.00 0.00 O ATOM 1624 CB GLN B 112 15.419 6.083 6.664 1.00 0.00 C ATOM 1625 CG GLN B 112 14.380 6.494 7.691 1.00 0.00 C ATOM 1626 CD GLN B 112 14.998 7.106 8.919 1.00 0.00 C ATOM 1627 OE1 GLN B 112 16.036 7.772 8.848 1.00 0.00 O ATOM 1628 NE2 GLN B 112 14.404 6.848 10.054 1.00 0.00 N ATOM 0 H GLN B 112 13.789 7.272 5.152 1.00 0.00 H new ATOM 0 HA GLN B 112 15.686 5.175 4.748 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.093 5.358 7.120 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.018 6.956 6.405 1.00 0.00 H new ATOM 0 HG2 GLN B 112 13.690 7.208 7.240 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.793 5.622 7.979 1.00 0.00 H new ATOM 0 HE21 GLN B 112 13.548 6.294 10.067 1.00 0.00 H new ATOM 0 HE22 GLN B 112 14.796 7.201 10.927 1.00 0.00 H new ATOM 1637 N ASP B 113 12.739 4.363 5.912 1.00 0.00 N ATOM 1638 CA ASP B 113 11.890 3.214 6.229 1.00 0.00 C ATOM 1639 C ASP B 113 11.709 2.360 4.990 1.00 0.00 C ATOM 1640 O ASP B 113 11.844 1.146 5.041 1.00 0.00 O ATOM 1641 CB ASP B 113 10.526 3.657 6.790 1.00 0.00 C ATOM 1642 CG ASP B 113 9.658 2.508 7.282 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.952 1.884 6.474 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.646 2.226 8.508 1.00 0.00 O ATOM 0 H ASP B 113 12.254 5.260 5.902 1.00 0.00 H new ATOM 0 HA ASP B 113 12.381 2.625 7.003 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.691 4.352 7.613 1.00 0.00 H new ATOM 0 HB3 ASP B 113 9.986 4.202 6.016 1.00 0.00 H new ATOM 1649 N LEU B 114 11.485 3.003 3.856 1.00 0.00 N ATOM 1650 CA LEU B 114 11.308 2.290 2.602 1.00 0.00 C ATOM 1651 C LEU B 114 12.639 1.732 2.102 1.00 0.00 C ATOM 1652 O LEU B 114 12.670 0.775 1.352 1.00 0.00 O ATOM 1653 CB LEU B 114 10.652 3.188 1.550 1.00 0.00 C ATOM 1654 CG LEU B 114 10.356 2.586 0.179 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.463 1.355 0.297 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.706 3.642 -0.690 1.00 0.00 C ATOM 0 H LEU B 114 11.421 4.018 3.778 1.00 0.00 H new ATOM 0 HA LEU B 114 10.640 1.448 2.782 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.713 3.555 1.963 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.296 4.055 1.402 1.00 0.00 H new ATOM 0 HG LEU B 114 11.291 2.262 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.270 0.949 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.961 0.601 0.907 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.519 1.634 0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.490 3.222 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.778 3.975 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.382 4.490 -0.798 1.00 0.00 H new ATOM 1668 N LEU B 115 13.736 2.339 2.509 1.00 0.00 N ATOM 1669 CA LEU B 115 15.056 1.818 2.171 1.00 0.00 C ATOM 1670 C LEU B 115 15.323 0.543 2.979 1.00 0.00 C ATOM 1671 O LEU B 115 15.800 -0.457 2.447 1.00 0.00 O ATOM 1672 CB LEU B 115 16.137 2.870 2.435 1.00 0.00 C ATOM 1673 CG LEU B 115 17.574 2.488 2.077 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.707 2.188 0.584 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.524 3.598 2.489 1.00 0.00 C ATOM 0 H LEU B 115 13.746 3.190 3.072 1.00 0.00 H new ATOM 0 HA LEU B 115 15.084 1.576 1.109 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.877 3.771 1.880 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.108 3.128 3.494 1.00 0.00 H new ATOM 0 HG LEU B 115 17.836 1.581 2.622 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.739 1.919 0.357 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.050 1.360 0.319 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.427 3.071 0.009 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.545 3.318 2.230 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.257 4.517 1.968 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.453 3.757 3.565 1.00 0.00 H new ATOM 1687 N THR B 116 14.960 0.577 4.241 1.00 0.00 N ATOM 1688 CA THR B 116 15.113 -0.566 5.117 1.00 0.00 C ATOM 1689 C THR B 116 14.135 -1.697 4.699 1.00 0.00 C ATOM 1690 O THR B 116 14.469 -2.879 4.746 1.00 0.00 O ATOM 1691 CB THR B 116 14.880 -0.137 6.587 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.739 0.992 6.884 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.214 -1.266 7.550 1.00 0.00 C ATOM 0 H THR B 116 14.551 1.396 4.690 1.00 0.00 H new ATOM 0 HA THR B 116 16.128 -0.953 5.031 1.00 0.00 H new ATOM 0 HB THR B 116 13.829 0.125 6.708 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.372 1.800 6.469 1.00 0.00 H new ATOM 0 HG21 THR B 116 15.040 -0.934 8.574 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.581 -2.127 7.335 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.261 -1.547 7.432 1.00 0.00 H new ATOM 1701 N SER B 117 12.955 -1.312 4.247 1.00 0.00 N ATOM 1702 CA SER B 117 11.961 -2.260 3.776 1.00 0.00 C ATOM 1703 C SER B 117 12.348 -2.820 2.388 1.00 0.00 C ATOM 1704 O SER B 117 11.996 -3.949 2.029 1.00 0.00 O ATOM 1705 CB SER B 117 10.604 -1.575 3.738 1.00 0.00 C ATOM 1706 OG SER B 117 10.284 -1.035 5.024 1.00 0.00 O ATOM 0 H SER B 117 12.659 -0.337 4.196 1.00 0.00 H new ATOM 0 HA SER B 117 11.912 -3.107 4.460 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.612 -0.779 2.993 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.837 -2.288 3.434 1.00 0.00 H new ATOM 0 HG SER B 117 10.628 -0.120 5.089 1.00 0.00 H new ATOM 1712 N ASP B 118 13.105 -2.031 1.646 1.00 0.00 N ATOM 1713 CA ASP B 118 13.606 -2.403 0.321 1.00 0.00 C ATOM 1714 C ASP B 118 14.616 -3.524 0.478 1.00 0.00 C ATOM 1715 O ASP B 118 14.522 -4.569 -0.169 1.00 0.00 O ATOM 1716 CB ASP B 118 14.278 -1.187 -0.303 1.00 0.00 C ATOM 1717 CG ASP B 118 14.626 -1.322 -1.754 1.00 0.00 C ATOM 1718 OD1 ASP B 118 13.781 -0.913 -2.585 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.754 -1.678 -2.073 1.00 0.00 O ATOM 0 H ASP B 118 13.397 -1.100 1.945 1.00 0.00 H new ATOM 0 HA ASP B 118 12.789 -2.738 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.619 -0.327 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.190 -0.971 0.254 1.00 0.00 H new ATOM 1724 N SER B 119 15.543 -3.325 1.400 1.00 0.00 N ATOM 1725 CA SER B 119 16.548 -4.308 1.700 1.00 0.00 C ATOM 1726 C SER B 119 15.938 -5.536 2.402 1.00 0.00 C ATOM 1727 O SER B 119 16.438 -6.638 2.266 1.00 0.00 O ATOM 1728 CB SER B 119 17.663 -3.660 2.510 1.00 0.00 C ATOM 1729 OG SER B 119 17.131 -2.839 3.546 1.00 0.00 O ATOM 0 H SER B 119 15.613 -2.474 1.957 1.00 0.00 H new ATOM 0 HA SER B 119 16.981 -4.680 0.771 1.00 0.00 H new ATOM 0 HB2 SER B 119 18.298 -4.432 2.943 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.293 -3.060 1.853 1.00 0.00 H new ATOM 0 HG SER B 119 16.232 -3.150 3.781 1.00 0.00 H new ATOM 1735 N LEU B 120 14.837 -5.322 3.124 1.00 0.00 N ATOM 1736 CA LEU B 120 14.086 -6.384 3.772 1.00 0.00 C ATOM 1737 C LEU B 120 13.454 -7.300 2.709 1.00 0.00 C ATOM 1738 O LEU B 120 13.357 -8.513 2.884 1.00 0.00 O ATOM 1739 CB LEU B 120 13.025 -5.737 4.704 1.00 0.00 C ATOM 1740 CG LEU B 120 12.126 -6.656 5.542 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.549 -5.881 6.707 1.00 0.00 C ATOM 1742 CD2 LEU B 120 10.971 -7.205 4.725 1.00 0.00 C ATOM 0 H LEU B 120 14.442 -4.394 3.273 1.00 0.00 H new ATOM 0 HA LEU B 120 14.740 -7.010 4.380 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.549 -5.071 5.390 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.378 -5.114 4.087 1.00 0.00 H new ATOM 0 HG LEU B 120 12.742 -7.485 5.890 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.911 -6.537 7.300 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.360 -5.503 7.330 1.00 0.00 H new ATOM 0 HD13 LEU B 120 10.960 -5.044 6.331 1.00 0.00 H new ATOM 0 HD21 LEU B 120 10.357 -7.851 5.352 1.00 0.00 H new ATOM 0 HD22 LEU B 120 10.365 -6.380 4.351 1.00 0.00 H new ATOM 0 HD23 LEU B 120 11.361 -7.779 3.884 1.00 0.00 H new ATOM 1754 N SER B 121 13.020 -6.696 1.620 1.00 0.00 N ATOM 1755 CA SER B 121 12.451 -7.422 0.500 1.00 0.00 C ATOM 1756 C SER B 121 13.573 -8.092 -0.333 1.00 0.00 C ATOM 1757 O SER B 121 13.319 -8.960 -1.196 1.00 0.00 O ATOM 1758 CB SER B 121 11.599 -6.467 -0.319 1.00 0.00 C ATOM 1759 OG SER B 121 10.631 -5.854 0.533 1.00 0.00 O ATOM 0 H SER B 121 13.052 -5.685 1.486 1.00 0.00 H new ATOM 0 HA SER B 121 11.808 -8.228 0.853 1.00 0.00 H new ATOM 0 HB2 SER B 121 12.227 -5.706 -0.782 1.00 0.00 H new ATOM 0 HB3 SER B 121 11.102 -7.005 -1.126 1.00 0.00 H new ATOM 0 HG SER B 121 11.067 -5.172 1.085 1.00 0.00 H new ATOM 1765 N HIS B 122 14.811 -7.641 -0.063 1.00 0.00 N ATOM 1766 CA HIS B 122 16.079 -8.195 -0.580 1.00 0.00 C ATOM 1767 C HIS B 122 16.351 -7.876 -2.042 1.00 0.00 C ATOM 1768 O HIS B 122 17.487 -8.053 -2.514 1.00 0.00 O ATOM 1769 CB HIS B 122 16.193 -9.725 -0.345 1.00 0.00 C ATOM 1770 CG HIS B 122 16.102 -10.157 1.094 1.00 0.00 C ATOM 1771 ND1 HIS B 122 15.127 -11.002 1.577 1.00 0.00 N ATOM 1772 CD2 HIS B 122 16.895 -9.861 2.152 1.00 0.00 C ATOM 1773 CE1 HIS B 122 15.345 -11.185 2.882 1.00 0.00 C ATOM 1774 NE2 HIS B 122 16.409 -10.515 3.285 1.00 0.00 N ATOM 0 H HIS B 122 14.964 -6.841 0.551 1.00 0.00 H new ATOM 0 HA HIS B 122 16.847 -7.687 0.003 1.00 0.00 H new ATOM 0 HB2 HIS B 122 15.404 -10.224 -0.909 1.00 0.00 H new ATOM 0 HB3 HIS B 122 17.143 -10.070 -0.753 1.00 0.00 H new ATOM 0 HD2 HIS B 122 17.764 -9.221 2.123 1.00 0.00 H new ATOM 0 HE1 HIS B 122 14.731 -11.800 3.523 1.00 0.00 H new ATOM 0 HE2 HIS B 122 16.795 -10.482 4.228 1.00 0.00 H new ATOM 1782 N SER B 123 15.368 -7.371 -2.752 1.00 0.00 N ATOM 1783 CA SER B 123 15.512 -7.205 -4.175 1.00 0.00 C ATOM 1784 C SER B 123 14.522 -6.205 -4.761 1.00 0.00 C ATOM 1785 O SER B 123 13.622 -5.735 -4.067 1.00 0.00 O ATOM 1786 CB SER B 123 15.362 -8.575 -4.829 1.00 0.00 C ATOM 1787 OG SER B 123 14.266 -9.292 -4.240 1.00 0.00 O ATOM 0 H SER B 123 14.471 -7.072 -2.370 1.00 0.00 H new ATOM 0 HA SER B 123 16.499 -6.789 -4.379 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.195 -8.458 -5.900 1.00 0.00 H new ATOM 0 HB3 SER B 123 16.284 -9.145 -4.711 1.00 0.00 H new ATOM 0 HG SER B 123 14.180 -10.169 -4.670 1.00 0.00 H new ATOM 1793 N ASP B 124 14.724 -5.890 -6.049 1.00 0.00 N ATOM 1794 CA ASP B 124 13.853 -4.993 -6.819 1.00 0.00 C ATOM 1795 C ASP B 124 12.502 -5.658 -6.956 1.00 0.00 C ATOM 1796 O ASP B 124 12.432 -6.894 -7.114 1.00 0.00 O ATOM 1797 CB ASP B 124 14.424 -4.757 -8.241 1.00 0.00 C ATOM 1798 CG ASP B 124 15.864 -4.302 -8.253 1.00 0.00 C ATOM 1799 OD1 ASP B 124 16.763 -5.162 -8.161 1.00 0.00 O ATOM 1800 OD2 ASP B 124 16.143 -3.091 -8.334 1.00 0.00 O ATOM 0 H ASP B 124 15.507 -6.256 -6.591 1.00 0.00 H new ATOM 0 HA ASP B 124 13.781 -4.035 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP B 124 14.340 -5.681 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP B 124 13.813 -4.011 -8.748 1.00 0.00 H new ATOM 1805 N GLY B 125 11.447 -4.889 -6.939 1.00 0.00 N ATOM 1806 CA GLY B 125 10.153 -5.491 -6.965 1.00 0.00 C ATOM 1807 C GLY B 125 9.202 -4.885 -7.959 1.00 0.00 C ATOM 1808 O GLY B 125 9.592 -4.073 -8.808 1.00 0.00 O ATOM 0 H GLY B 125 11.460 -3.870 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY B 125 10.264 -6.552 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY B 125 9.713 -5.419 -5.970 1.00 0.00 H new ATOM 1812 N GLY B 126 7.969 -5.319 -7.876 1.00 0.00 N ATOM 1813 CA GLY B 126 6.906 -4.835 -8.717 1.00 0.00 C ATOM 1814 C GLY B 126 5.868 -5.917 -8.907 1.00 0.00 C ATOM 1815 O GLY B 126 5.528 -6.622 -7.950 1.00 0.00 O ATOM 0 H GLY B 126 7.672 -6.032 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY B 126 6.448 -3.954 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY B 126 7.306 -4.529 -9.684 1.00 0.00 H new ATOM 1819 N GLY B 127 5.386 -6.069 -10.115 1.00 0.00 N ATOM 1820 CA GLY B 127 4.429 -7.105 -10.409 1.00 0.00 C ATOM 1821 C GLY B 127 3.008 -6.600 -10.379 1.00 0.00 C ATOM 1822 O GLY B 127 2.263 -6.872 -9.428 1.00 0.00 O ATOM 0 H GLY B 127 5.642 -5.487 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.642 -7.524 -11.392 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.540 -7.914 -9.687 1.00 0.00 H new ATOM 1826 N SER B 128 2.630 -5.855 -11.396 1.00 0.00 N ATOM 1827 CA SER B 128 1.286 -5.322 -11.495 1.00 0.00 C ATOM 1828 C SER B 128 0.263 -6.462 -11.639 1.00 0.00 C ATOM 1829 O SER B 128 0.206 -7.141 -12.678 1.00 0.00 O ATOM 1830 CB SER B 128 1.209 -4.375 -12.685 1.00 0.00 C ATOM 1831 OG SER B 128 2.235 -3.397 -12.598 1.00 0.00 O ATOM 0 H SER B 128 3.240 -5.602 -12.173 1.00 0.00 H new ATOM 0 HA SER B 128 1.047 -4.773 -10.585 1.00 0.00 H new ATOM 0 HB2 SER B 128 1.309 -4.937 -13.614 1.00 0.00 H new ATOM 0 HB3 SER B 128 0.234 -3.889 -12.710 1.00 0.00 H new ATOM 0 HG SER B 128 2.178 -2.794 -13.368 1.00 0.00 H new ATOM 1837 N GLY B 129 -0.486 -6.698 -10.587 1.00 0.00 N ATOM 1838 CA GLY B 129 -1.484 -7.726 -10.598 1.00 0.00 C ATOM 1839 C GLY B 129 -2.828 -7.164 -10.251 1.00 0.00 C ATOM 1840 O GLY B 129 -2.902 -6.092 -9.644 1.00 0.00 O ATOM 0 H GLY B 129 -0.417 -6.184 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -1.522 -8.192 -11.583 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -1.216 -8.507 -9.886 1.00 0.00 H new ATOM 1844 N GLY B 130 -3.879 -7.864 -10.607 1.00 0.00 N ATOM 1845 CA GLY B 130 -5.209 -7.370 -10.359 1.00 0.00 C ATOM 1846 C GLY B 130 -6.135 -8.422 -9.795 1.00 0.00 C ATOM 1847 O GLY B 130 -7.188 -8.690 -10.366 1.00 0.00 O ATOM 0 H GLY B 130 -3.838 -8.773 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -5.155 -6.531 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -5.628 -6.987 -11.290 1.00 0.00 H new ATOM 1851 N GLY B 131 -5.740 -9.019 -8.691 1.00 0.00 N ATOM 1852 CA GLY B 131 -6.561 -10.024 -8.046 1.00 0.00 C ATOM 1853 C GLY B 131 -7.712 -9.398 -7.281 1.00 0.00 C ATOM 1854 O GLY B 131 -7.494 -8.632 -6.321 1.00 0.00 O ATOM 0 H GLY B 131 -4.856 -8.827 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -6.953 -10.711 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.948 -10.613 -7.364 1.00 0.00 H new ATOM 1858 N SER B 132 -8.915 -9.690 -7.702 1.00 0.00 N ATOM 1859 CA SER B 132 -10.104 -9.137 -7.090 1.00 0.00 C ATOM 1860 C SER B 132 -11.167 -10.254 -6.914 1.00 0.00 C ATOM 1861 O SER B 132 -10.877 -11.439 -7.204 1.00 0.00 O ATOM 1862 CB SER B 132 -10.634 -8.019 -7.992 1.00 0.00 C ATOM 1863 OG SER B 132 -9.604 -7.087 -8.327 1.00 0.00 O ATOM 0 H SER B 132 -9.103 -10.320 -8.482 1.00 0.00 H new ATOM 0 HA SER B 132 -9.875 -8.730 -6.105 1.00 0.00 H new ATOM 0 HB2 SER B 132 -11.047 -8.450 -8.904 1.00 0.00 H new ATOM 0 HB3 SER B 132 -11.448 -7.498 -7.488 1.00 0.00 H new ATOM 0 HG SER B 132 -9.972 -6.386 -8.904 1.00 0.00 H new ATOM 1869 N GLY B 133 -12.358 -9.902 -6.428 1.00 0.00 N ATOM 1870 CA GLY B 133 -13.421 -10.892 -6.266 1.00 0.00 C ATOM 1871 C GLY B 133 -14.662 -10.366 -5.529 1.00 0.00 C ATOM 1872 O GLY B 133 -15.560 -11.143 -5.173 1.00 0.00 O ATOM 0 H GLY B 133 -12.608 -8.955 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -13.721 -11.251 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -13.025 -11.749 -5.722 1.00 0.00 H new ATOM 1876 N GLY B 134 -14.722 -9.071 -5.290 1.00 0.00 N ATOM 1877 CA GLY B 134 -15.845 -8.489 -4.599 1.00 0.00 C ATOM 1878 C GLY B 134 -16.712 -7.660 -5.526 1.00 0.00 C ATOM 1879 O GLY B 134 -17.552 -8.207 -6.265 1.00 0.00 O ATOM 0 H GLY B 134 -14.002 -8.404 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -16.446 -9.281 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -15.484 -7.863 -3.783 1.00 0.00 H new ATOM 1883 N GLY B 135 -16.493 -6.369 -5.541 1.00 0.00 N ATOM 1884 CA GLY B 135 -17.285 -5.491 -6.363 1.00 0.00 C ATOM 1885 C GLY B 135 -17.029 -4.042 -6.045 1.00 0.00 C ATOM 1886 O GLY B 135 -15.924 -3.684 -5.625 1.00 0.00 O ATOM 0 H GLY B 135 -15.771 -5.903 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -17.061 -5.677 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -18.342 -5.713 -6.218 1.00 0.00 H new ATOM 1890 N SER B 136 -18.034 -3.220 -6.253 1.00 0.00 N ATOM 1891 CA SER B 136 -17.991 -1.784 -5.994 1.00 0.00 C ATOM 1892 C SER B 136 -17.029 -1.045 -6.943 1.00 0.00 C ATOM 1893 O SER B 136 -17.449 -0.485 -7.958 1.00 0.00 O ATOM 1894 CB SER B 136 -17.657 -1.479 -4.515 1.00 0.00 C ATOM 1895 OG SER B 136 -18.567 -2.114 -3.631 1.00 0.00 O ATOM 0 H SER B 136 -18.933 -3.534 -6.618 1.00 0.00 H new ATOM 0 HA SER B 136 -18.993 -1.405 -6.195 1.00 0.00 H new ATOM 0 HB2 SER B 136 -16.643 -1.812 -4.295 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.682 -0.402 -4.351 1.00 0.00 H new ATOM 0 HG SER B 136 -18.469 -1.735 -2.733 1.00 0.00 H new ATOM 1901 N LEU B 137 -15.757 -1.077 -6.634 1.00 0.00 N ATOM 1902 CA LEU B 137 -14.770 -0.342 -7.391 1.00 0.00 C ATOM 1903 C LEU B 137 -13.940 -1.276 -8.257 1.00 0.00 C ATOM 1904 O LEU B 137 -13.844 -1.097 -9.464 1.00 0.00 O ATOM 1905 CB LEU B 137 -13.833 0.411 -6.433 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.489 1.344 -5.405 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.436 1.931 -4.484 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.266 2.452 -6.093 1.00 0.00 C ATOM 0 H LEU B 137 -15.375 -1.611 -5.853 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.296 0.363 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.239 -0.326 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.140 1.001 -7.032 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.191 0.758 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -13.913 2.591 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -12.923 1.126 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -12.714 2.499 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -15.720 3.098 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -14.590 3.038 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.046 2.016 -6.717 1.00 0.00 H new ATOM 1920 N GLU B 138 -13.436 -2.323 -7.615 1.00 0.00 N ATOM 1921 CA GLU B 138 -12.412 -3.243 -8.145 1.00 0.00 C ATOM 1922 C GLU B 138 -12.657 -3.773 -9.572 1.00 0.00 C ATOM 1923 O GLU B 138 -11.707 -3.907 -10.350 1.00 0.00 O ATOM 1924 CB GLU B 138 -12.200 -4.392 -7.157 1.00 0.00 C ATOM 1925 CG GLU B 138 -13.481 -5.118 -6.833 1.00 0.00 C ATOM 1926 CD GLU B 138 -13.341 -6.171 -5.778 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -12.940 -7.304 -6.119 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -13.726 -5.913 -4.607 1.00 0.00 O ATOM 0 H GLU B 138 -13.735 -2.573 -6.672 1.00 0.00 H new ATOM 0 HA GLU B 138 -11.506 -2.646 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -11.482 -5.098 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -11.765 -4.001 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -14.225 -4.391 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -13.863 -5.580 -7.743 1.00 0.00 H new ATOM 1935 N CYS B 139 -13.898 -4.023 -9.920 1.00 0.00 N ATOM 1936 CA CYS B 139 -14.248 -4.583 -11.221 1.00 0.00 C ATOM 1937 C CYS B 139 -13.911 -3.620 -12.379 1.00 0.00 C ATOM 1938 O CYS B 139 -13.429 -4.037 -13.439 1.00 0.00 O ATOM 1939 CB CYS B 139 -15.734 -4.940 -11.224 1.00 0.00 C ATOM 1940 SG CYS B 139 -16.808 -3.567 -10.734 1.00 0.00 S ATOM 0 H CYS B 139 -14.700 -3.847 -9.314 1.00 0.00 H new ATOM 0 HA CYS B 139 -13.652 -5.481 -11.383 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -16.017 -5.274 -12.222 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -15.899 -5.779 -10.548 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.070 -2.829 -11.772 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.098 -2.340 -12.139 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.914 -1.301 -13.159 1.00 0.00 C ATOM 1948 C ASP B 140 -12.861 -0.336 -12.704 1.00 0.00 C ATOM 1949 O ASP B 140 -12.826 0.813 -13.121 1.00 0.00 O ATOM 1950 CB ASP B 140 -15.224 -0.527 -13.378 1.00 0.00 C ATOM 1951 CG ASP B 140 -16.312 -1.338 -14.018 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -17.106 -1.983 -13.292 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -16.407 -1.332 -15.270 1.00 0.00 O ATOM 0 H ASP B 140 -14.384 -1.977 -11.229 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.614 -1.779 -14.091 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.579 -0.155 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -15.020 0.344 -14.001 1.00 0.00 H new ATOM 1958 N MET B 141 -11.973 -0.820 -11.896 1.00 0.00 N ATOM 1959 CA MET B 141 -10.994 0.029 -11.251 1.00 0.00 C ATOM 1960 C MET B 141 -9.642 0.044 -11.977 1.00 0.00 C ATOM 1961 O MET B 141 -8.865 0.943 -11.770 1.00 0.00 O ATOM 1962 CB MET B 141 -10.811 -0.468 -9.824 1.00 0.00 C ATOM 1963 CG MET B 141 -9.912 0.367 -8.959 1.00 0.00 C ATOM 1964 SD MET B 141 -9.697 -0.329 -7.315 1.00 0.00 S ATOM 1965 CE MET B 141 -8.934 -1.909 -7.696 1.00 0.00 C ATOM 0 H MET B 141 -11.897 -1.809 -11.658 1.00 0.00 H new ATOM 0 HA MET B 141 -11.363 1.054 -11.272 1.00 0.00 H new ATOM 0 HB2 MET B 141 -11.791 -0.526 -9.350 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.413 -1.482 -9.859 1.00 0.00 H new ATOM 0 HG2 MET B 141 -8.938 0.464 -9.439 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.326 1.372 -8.873 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.646 -2.712 -7.506 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.639 -1.927 -8.745 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.054 -2.049 -7.069 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.419 -0.917 -12.864 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.100 -1.152 -13.513 1.00 0.00 C ATOM 1977 C GLU B 142 -7.385 0.129 -14.066 1.00 0.00 C ATOM 1978 O GLU B 142 -6.258 0.456 -13.649 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.235 -2.195 -14.620 1.00 0.00 C ATOM 1980 CG GLU B 142 -6.908 -2.605 -15.217 1.00 0.00 C ATOM 1981 CD GLU B 142 -7.043 -3.602 -16.324 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -7.257 -4.796 -16.039 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -6.903 -3.217 -17.519 1.00 0.00 O ATOM 0 H GLU B 142 -10.142 -1.569 -13.167 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.454 -1.516 -12.714 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.734 -3.077 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -8.874 -1.798 -15.409 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -6.398 -1.719 -15.595 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -6.278 -3.025 -14.433 1.00 0.00 H new ATOM 1990 N SER B 143 -8.032 0.846 -14.958 1.00 0.00 N ATOM 1991 CA SER B 143 -7.432 2.016 -15.594 1.00 0.00 C ATOM 1992 C SER B 143 -7.183 3.123 -14.554 1.00 0.00 C ATOM 1993 O SER B 143 -6.114 3.798 -14.539 1.00 0.00 O ATOM 1994 CB SER B 143 -8.373 2.510 -16.694 1.00 0.00 C ATOM 1995 OG SER B 143 -8.785 1.415 -17.522 1.00 0.00 O ATOM 0 H SER B 143 -8.983 0.643 -15.267 1.00 0.00 H new ATOM 0 HA SER B 143 -6.470 1.748 -16.030 1.00 0.00 H new ATOM 0 HB2 SER B 143 -9.246 2.987 -16.249 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.872 3.265 -17.300 1.00 0.00 H new ATOM 0 HG SER B 143 -9.388 1.743 -18.221 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.139 3.259 -13.657 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.088 4.251 -12.615 1.00 0.00 C ATOM 2003 C ILE B 144 -6.969 3.931 -11.633 1.00 0.00 C ATOM 2004 O ILE B 144 -6.190 4.791 -11.299 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.451 4.372 -11.862 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.583 4.803 -12.824 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.360 5.334 -10.675 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -10.356 6.141 -13.514 1.00 0.00 C ATOM 0 H ILE B 144 -8.977 2.678 -13.635 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.885 5.212 -13.087 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.690 3.383 -11.470 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.707 4.033 -13.586 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.518 4.852 -12.265 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.328 5.391 -10.178 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.611 4.973 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.076 6.325 -11.030 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -11.200 6.361 -14.168 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -10.264 6.926 -12.764 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.441 6.095 -14.105 1.00 0.00 H new ATOM 2020 N ILE B 145 -6.859 2.683 -11.236 1.00 0.00 N ATOM 2021 CA ILE B 145 -5.873 2.286 -10.249 1.00 0.00 C ATOM 2022 C ILE B 145 -4.456 2.411 -10.794 1.00 0.00 C ATOM 2023 O ILE B 145 -3.519 2.667 -10.051 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.157 0.888 -9.627 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.314 0.671 -8.386 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -5.939 -0.247 -10.621 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.701 -0.544 -7.605 1.00 0.00 C ATOM 0 H ILE B 145 -7.442 1.921 -11.582 1.00 0.00 H new ATOM 0 HA ILE B 145 -5.961 2.989 -9.421 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.211 0.875 -9.348 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.267 0.587 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.396 1.547 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.151 -1.200 -10.137 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.606 -0.117 -11.474 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -4.905 -0.236 -10.964 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.056 -0.636 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.738 -0.454 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.592 -1.429 -8.231 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.293 2.217 -12.085 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.012 2.498 -12.696 1.00 0.00 C ATOM 2041 C ARG B 146 -2.677 3.984 -12.553 1.00 0.00 C ATOM 2042 O ARG B 146 -1.785 4.351 -11.797 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.979 2.102 -14.177 1.00 0.00 C ATOM 2044 CG ARG B 146 -2.208 0.821 -14.490 1.00 0.00 C ATOM 2045 CD ARG B 146 -0.742 0.906 -14.027 1.00 0.00 C ATOM 2046 NE ARG B 146 -0.059 2.131 -14.502 1.00 0.00 N ATOM 2047 CZ ARG B 146 1.270 2.315 -14.545 1.00 0.00 C ATOM 2048 NH1 ARG B 146 2.098 1.299 -14.340 1.00 0.00 N ATOM 2049 NH2 ARG B 146 1.763 3.515 -14.835 1.00 0.00 N ATOM 0 H ARG B 146 -5.014 1.874 -12.720 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.266 1.898 -12.175 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -4.004 1.985 -14.528 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -2.538 2.921 -14.746 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -2.694 -0.024 -14.002 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -2.240 0.631 -15.563 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.708 0.876 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -0.201 0.031 -14.387 1.00 0.00 H new ATOM 0 HE ARG B 146 -0.648 2.899 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG B 146 1.726 0.369 -14.148 1.00 0.00 H new ATOM 0 HH12 ARG B 146 3.106 1.448 -14.375 1.00 0.00 H new ATOM 0 HH21 ARG B 146 1.132 4.294 -15.024 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.772 3.657 -14.868 1.00 0.00 H new ATOM 2063 N SER B 147 -3.472 4.818 -13.199 1.00 0.00 N ATOM 2064 CA SER B 147 -3.213 6.254 -13.262 1.00 0.00 C ATOM 2065 C SER B 147 -3.204 6.946 -11.876 1.00 0.00 C ATOM 2066 O SER B 147 -2.341 7.798 -11.595 1.00 0.00 O ATOM 2067 CB SER B 147 -4.230 6.904 -14.209 1.00 0.00 C ATOM 2068 OG SER B 147 -5.564 6.489 -13.888 1.00 0.00 O ATOM 0 H SER B 147 -4.314 4.525 -13.695 1.00 0.00 H new ATOM 0 HA SER B 147 -2.203 6.390 -13.650 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.156 7.989 -14.140 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.998 6.634 -15.239 1.00 0.00 H new ATOM 0 HG SER B 147 -5.731 5.601 -14.268 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.155 6.589 -11.046 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.315 7.168 -9.730 1.00 0.00 C ATOM 2076 C GLU B 148 -3.379 6.552 -8.685 1.00 0.00 C ATOM 2077 O GLU B 148 -2.715 7.276 -7.944 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.781 7.042 -9.283 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.101 7.626 -7.917 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.567 7.515 -7.585 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.367 8.371 -8.053 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.956 6.607 -6.856 1.00 0.00 O ATOM 0 H GLU B 148 -4.851 5.877 -11.268 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.039 8.220 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.412 7.531 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.052 5.986 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.517 7.109 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.802 8.674 -7.892 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.298 5.238 -8.651 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.629 4.577 -7.557 1.00 0.00 C ATOM 2091 C LEU B 149 -1.144 4.373 -7.732 1.00 0.00 C ATOM 2092 O LEU B 149 -0.411 4.479 -6.754 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.414 3.322 -7.077 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.795 2.453 -5.968 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -3.886 1.765 -5.161 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.882 1.391 -6.567 1.00 0.00 C ATOM 0 H LEU B 149 -3.683 4.615 -9.361 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.652 5.285 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.393 3.655 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.582 2.684 -7.944 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.214 3.106 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.431 1.154 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.530 2.517 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.480 1.130 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.454 0.786 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.458 0.752 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.080 1.874 -7.126 1.00 0.00 H new ATOM 2108 N MET B 150 -0.659 4.092 -8.920 1.00 0.00 N ATOM 2109 CA MET B 150 0.770 3.929 -9.023 1.00 0.00 C ATOM 2110 C MET B 150 1.296 4.182 -10.387 1.00 0.00 C ATOM 2111 O MET B 150 0.860 3.612 -11.376 1.00 0.00 O ATOM 2112 CB MET B 150 1.293 2.598 -8.407 1.00 0.00 C ATOM 2113 CG MET B 150 0.889 1.306 -9.102 1.00 0.00 C ATOM 2114 SD MET B 150 1.920 0.911 -10.534 1.00 0.00 S ATOM 2115 CE MET B 150 1.137 -0.589 -11.083 1.00 0.00 C ATOM 0 H MET B 150 -1.195 3.977 -9.780 1.00 0.00 H new ATOM 0 HA MET B 150 1.186 4.719 -8.397 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.382 2.642 -8.381 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.952 2.547 -7.373 1.00 0.00 H new ATOM 0 HG2 MET B 150 0.943 0.485 -8.387 1.00 0.00 H new ATOM 0 HG3 MET B 150 -0.150 1.383 -9.422 1.00 0.00 H new ATOM 0 HE1 MET B 150 1.522 -0.862 -12.066 1.00 0.00 H new ATOM 0 HE2 MET B 150 1.349 -1.390 -10.375 1.00 0.00 H new ATOM 0 HE3 MET B 150 0.060 -0.435 -11.145 1.00 0.00 H new ATOM 2125 N ASP B 151 2.214 5.069 -10.436 1.00 0.00 N ATOM 2126 CA ASP B 151 2.871 5.384 -11.649 1.00 0.00 C ATOM 2127 C ASP B 151 4.192 4.703 -11.675 1.00 0.00 C ATOM 2128 O ASP B 151 5.156 5.162 -11.059 1.00 0.00 O ATOM 2129 CB ASP B 151 3.050 6.882 -11.843 1.00 0.00 C ATOM 2130 CG ASP B 151 3.917 7.197 -13.043 1.00 0.00 C ATOM 2131 OD1 ASP B 151 3.404 7.192 -14.173 1.00 0.00 O ATOM 2132 OD2 ASP B 151 5.124 7.461 -12.862 1.00 0.00 O ATOM 0 H ASP B 151 2.536 5.604 -9.629 1.00 0.00 H new ATOM 0 HA ASP B 151 2.246 5.033 -12.470 1.00 0.00 H new ATOM 0 HB2 ASP B 151 2.074 7.351 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP B 151 3.499 7.313 -10.948 1.00 0.00 H new ATOM 2137 N ALA B 152 4.199 3.576 -12.269 1.00 0.00 N ATOM 2138 CA ALA B 152 5.389 2.855 -12.505 1.00 0.00 C ATOM 2139 C ALA B 152 5.394 2.527 -13.966 1.00 0.00 C ATOM 2140 O ALA B 152 5.927 3.324 -14.753 1.00 0.00 O ATOM 2141 CB ALA B 152 5.447 1.600 -11.640 1.00 0.00 C ATOM 2142 OXT ALA B 152 4.761 1.536 -14.363 1.00 0.00 O ATOM 0 H ALA B 152 3.357 3.115 -12.615 1.00 0.00 H new ATOM 0 HA ALA B 152 6.270 3.439 -12.240 1.00 0.00 H new ATOM 0 HB1 ALA B 152 6.374 1.062 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.412 1.882 -10.588 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.597 0.958 -11.873 1.00 0.00 H new TER 2148 ALA B 152